Group1_1 Group1_1 Group1_2 Group1_2 Group1_3 Group1_3 Group1_4 Group1_4 Group1_5 Group1_5 Group2_21 Group2_21 Group2_22 Group2_22 Group2_23 Group2_23 Group2_24 Group2_24 Group2_25 Group2_25 Group3_41 Group3_41 Group3_42 Group3_42 Group3_43 Group3_43 Group3_44 Group3_44 Group3_45 Group3_45 Group1_6 Group1_6 Group1_7 Group1_7 Group1_8 Group1_8 Group1_9 Group1_9 Group1_10 Group1_10 Group2_26 Group2_26 Group2_27 Group2_27 Group2_28 Group2_28 Group2_29 Group2_29 Group2_30 Group2_30 Group3_31 Group3_31 Group3_32 Group3_32 Group3_33 Group3_33 Group3_34 Group3_34 Group3_35 Group3_35 Group1_11 Group1_11 Group1_12 Group1_12 Group1_13 Group1_13 Group1_14 Group1_14 Group1_15 Group1_15 Group2_16 Group2_16 Group2_17 Group2_17 Group2_18 Group2_18 Group2_19 Group2_19 Group2_20 Group2_20 Group3_36 Group3_36 Group3_37 Group3_37 Group3_38 Group3_38 Group3_39 Group3_39 Group3_40 Group3_40 Mass Compound 06jun12_15-r001(raw) 06jun12_15-r002(raw) 06jun12_16-r001(raw) 06jun12_16-r002(raw) 06jun12_17-r001(raw) 06jun12_17-r002(raw) 06jun12_18-r001(raw) 06jun12_18-r002(raw) 06jun12_19-r001(raw) 06jun12_19-r002(raw) 06jun12_20-r001(raw) 06jun12_20-r002(raw) 06jun12_21-r001(raw) 06jun12_21-r002(raw) 06jun12_22-r001(raw) 06jun12_22-r002(raw) 06jun12_23-r001(raw) 06jun12_23-r002(raw) 06jun12_24-r001(raw) 06jun12_24-r002(raw) 06jun12_25-r001(raw) 06jun12_25-r002(raw) 06jun12_26-r001(raw) 06jun12_26-r002(raw) 06jun12_27-r001(raw) 06jun12_27-r002(raw) 06jun12_28-r001(raw) 06jun12_28-r002(raw) 06jun12_29-r001(raw) 06jun12_29-r002(raw) 06jun12_31-r001(raw) 06jun12_31-r002(raw) 06jun12_32-r001(raw) 06jun12_32-r002(raw) 06jun12_33-r001(raw) 06jun12_33-r002(raw) 06jun12_34-r001(raw) 06jun12_34-r002(raw) 06jun12_35-r001(raw) 06jun12_35-r002(raw) 06jun12_36-r001(raw) 06jun12_36-r002(raw) 06jun12_37-r001(raw) 06jun12_37-r002(raw) 06jun12_38-r001(raw) 06jun12_38-r002(raw) 06jun12_39-r001(raw) 06jun12_39-r002(raw) 06jun12_40-r001(raw) 06jun12_40-r002(raw) 06jun12_41-r001(raw) 06jun12_41-r002(raw) 06jun12_42-r001(raw) 06jun12_42-r002(raw) 06jun12_43-r001(raw) 06jun12_43-r002(raw) 06jun12_44-r001(raw) 06jun12_44-r002(raw) 06jun12_45-r001(raw) 06jun12_45-r002(raw) 06jun12_47-r001(raw) 06jun12_47-r002(raw) 06jun12_48-r001(raw) 06jun12_48-r002(raw) 06jun12_49-r001(raw) 06jun12_49-r002(raw) 06jun12_50-r001(raw) 06jun12_50-r002(raw) 06jun12_51-r001(raw) 06jun12_51-r002(raw) 06jun12_52-r001(raw) 06jun12_52-r002(raw) 06jun12_53-r001(raw) 06jun12_53-r002(raw) 06jun12_54-r001(raw) 06jun12_54-r002(raw) 06jun12_55-r001(raw) 06jun12_55-r002(raw) 06jun12_56-r001(raw) 06jun12_56-r002(raw) 06jun12_57-r001(raw) 06jun12_57-r002(raw) 06jun12_58-r001(raw) 06jun12_58-r002(raw) 06jun12_59-r001(raw) 06jun12_59-r002(raw) 06jun12_60-r001(raw) 06jun12_60-r002(raw) 06jun12_61-r001(raw) 06jun12_61-r002(raw) HMP ID KEGG ID Mass *58.9832* 58.9832@0.76493067 11131 10545 6261 6543 4826 4713 12061 10117 14035 14201 7711 7318 11882 11362 9906 9456 7472 8047 8656 7418 6562 6909 9561 9813 8832 8136 5364 5209 5662 5394 5063 5005 1 1 9676 9477 7229 7678 6121 6346 6876 7267 39614 36933 5328 5855 8442 7357 12279 12637 15661 15011 13257 9685 5649 5606 11609 11214 10829 11003 9521 9854 1 1 7624 6436 10920 11960 10841 10340 17257 15396 4145 4520 12610 12207 14759 14000 5309 5618 6313 5956 16822 15900 24875 23824 10448 10865 12704 13529 58.9832 *58.9833* 58.9833@0.79485387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.9833 *60.0212* 60.0212@1.5859301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4625 1 1 1 60.0212 *60.0213* 60.0213@1.5345775 1 1 1 1 1 1 3323 3267 1 1 1 1 1 1 1 1 1 1 1 2277 5052 5085 1 1 1 1 1 1 5024 4921 5242 5144 3579 3767 1 1 3304 3566 12003 12012 1 1 1 1 7095 7514 4293 3671 1 1 3745 3240 1 1 1 1 5632 5589 3347 4169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5057 4864 1 1 7794 7229 1 2674 1 1 1 1 19477 22247 1 1 60.0213 *60.0219* 60.0219@2.7989902 1 1 1 1 1 1 1 1 1 1 2998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 3738 1 1 1 1 1 1 1 1 1 1 6799 7244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0219 *60.9787* 60.9787@0.7661192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3503 3970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 60.9787 *62.9955* 62.9955@2.0210977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62.9955 *62.9957* 62.9957@1.9759398 13532 13275 10582 12758 13255 13602 15328 14385 14657 12945 13307 13035 12412 12864 10063 11799 11619 10632 14370 13509 12166 13169 10839 10657 10434 11036 11434 12292 11809 11279 13975 11770 12616 13177 11212 10546 11625 11840 12296 13740 12593 12482 13506 12431 12049 10976 9764 11902 10932 12086 11373 7876 10048 11131 11777 10735 12083 12063 12497 10679 11990 12672 10569 11638 12062 12623 11245 12336 11432 11531 11561 11292 11030 10234 10814 10291 11906 10282 12777 12361 11595 11590 13682 12056 12387 11805 11717 10466 12284 12489 62.9957 *62.9957* 62.9957@1.2977946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 1 1 1 5477 1 3339 1 1 1 1 1 1 5020 1 1 1 1 1 3697 1 1 1 1 1 1 6840 1 1 1 1 1 2936 1 1 1 1 1 1 4524 1 3196 1 1 1 1 1 1 1 1 1 62.9957 *62.9958* 62.9958@1.3036265 1 1 1 5153 6951 6414 1 1 7008 7113 5380 1 2665 5588 2679 1 1 1 7378 6981 7027 1 4669 7611 5285 9463 5767 1 7866 6640 8120 7275 1 8286 1 9681 8048 7864 6897 4090 8278 9089 10619 3687 5795 4274 6333 8393 6967 7481 7594 8658 3626 6572 7920 9086 1 6461 3825 8173 8711 8855 6599 10359 5353 6256 7575 10203 6663 10105 1 11173 7550 7381 8408 9819 7804 8043 2990 7289 4586 8299 6608 8097 1 9062 3196 7384 7185 8170 62.9958 *62.9959* 62.9959@0.66446406 1 1 1 1 1 1 1 1 1 2199 1 1 1 4366 1 1 2833 1 1 1 4158 1 1 5026 3460 1 3406 1 1 1 4372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5761 1 1 1 1 1 3207 1 1 5677 2042 2240 1 1 1 1 1 1 5170 2552 1 4270 1 1 1 1 1 4432 1 2328 1 1 2871 1 3129 3648 1 2246 1 1 1 1 5042 3269 3387 62.9959 *62.9959* 62.9959@1.6399682 1 1 1 2991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3823 4270 1 1 1 1 1 1 1 1 7347 7314 1 3856 1 1 5475 4372 6502 6957 1 3280 1 4887 1 1 3394 1 1 1 7137 7655 3878 4223 1 1 1 1 1 3648 4439 4501 1 1 1 4477 1 4332 1 1 4530 4106 1 1 1 3890 1 3225 1 4293 4960 4396 4920 1 4575 5780 10696 10417 1 1 62.9959 *62.996* 62.996@0.9090955 67682 68077 78226 77207 65955 65367 49884 50457 90248 91708 82588 82610 69175 71246 69105 67800 76554 76011 96835 72661 43891 44901 54948 56251 43101 42931 95261 94936 71072 71346 60316 63500 62160 63204 59853 59907 51995 51538 70312 68688 63430 65334 48814 47423 67432 66270 55969 59719 62951 62557 79026 80595 42695 55437 52632 52964 56163 56901 78549 76851 71251 70376 47193 47903 118313 113528 72813 73695 52170 53000 137269 135503 67152 86862 60672 61051 76818 78583 108291 109980 100977 102951 124690 126329 113951 112633 90440 88587 80769 79914 62.996 *62.9961* 62.9961@0.9855374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2633 19851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62.9961 *66.0472* 66.0472@1.2060492 6230 7165 1 1 1 1 1 1 1 1 4909 7015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8080 7863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13470 13310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6643 7190 66.0472 *69.0109* 69.0109@1.9721229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0109 *70.0032* 70.0032@1.2393646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0032 *70.0033* C3 H2 O2 - 1.9823228 193715 210580 235642 218333 143564 197919 107919 75503 175846 173580 116411 112218 155609 118245 156646 145744 128696 149417 154486 143580 107233 67240 96292 124138 116838 114383 116619 67990 73936 107959 53760 43618 81391 99687 84789 77368 90855 83801 57118 56939 51346 53940 30835 83705 68260 74373 77342 1 69287 72030 71059 65595 63107 69337 54276 42701 42810 1 44858 1 41126 53938 1 1 1 30834 34020 41709 18411 62563 35211 44504 58183 49491 41763 1 1 50307 37495 1 1 30459 28664 27432 1 33210 27380 40630 1 1 70.0033 *70.0033* 70.0033@2.0682373 1 1 1 1 1 1 1 19917 1 1 58118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20550 1 1 1 1 1 15560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9670 1 1 1 1 1 1 1 1 1 1 16174 1 1 1 1 51957 1 15342 1 11007 12980 1 6994 1 70.0033 *70.0033* 70.0033@4.9979234 1 1 1 1 1 29944 1 42468 52955 1 1 1 25693 29985 32958 1 1 1 21081 1 1 22473 1 20185 1 1 1 1 1 1 20919 1 26438 28562 1 20757 1 1 16533 1 1 23384 1 1 1 12332 1 18167 12088 10170 11394 1 23397 22177 1 20530 1 1 14040 1 1 1 1 1 1 1 1 1 13890 9520 7730 10639 1 1 1 7926 1 1 1 1 9494 1 1 1 1 9546 1 12393 1 1 70.0033 *70.0033* 70.0033@3.5700703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0033 *70.0034* C3 H2 O2 - 1.0806288 1 1 1 1 1 7781 1 53092 88740 1 1 1 6880 34434 43541 1 1 1 37852 1 38687 23967 1 34278 1 60357 69521 1 1 1 57253 1 29536 30364 1 52546 1 24478 1 1 41729 1 1 1 1 22522 42562 1 30927 48162 26772 1 1 34921 48747 9747 1 26338 19998 1 1 1 42580 1 9383 1 23035 1 38223 27277 19785 1 29778 31117 1 1 23415 23186 1 1 1 20696 1 32537 1 1 1 1 35626 26173 70.0034 *70.0034* 70.0034@0.7650287 1 1 1 1 1 10685 1 1 1 28155 1 1 25732 1 1 1 1 1 6723 1 1 12374 1 1 1 26442 1 1 1 1 7176 1 1 1 1 1 1 1 1 1 1 1 28887 1 1 1 19052 1 1 11835 23775 1 1 15616 1 4644 1 1 1 1 1 1 1 7008 7228 1 2921 1 1 12349 37051 1 1 1 11037 1 1 1 1 1 1 1 1 11614 12725 1 1 1 1 1 70.0034 *70.0034* 70.0034@2.920564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10035 1 70.0034 *70.0034* 70.0034@2.9742882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4905 1 70.0034 *70.0034* 70.0034@0.9763645 1 1 1 1 1 25227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0034 *70.0035* C3 H2 O2 1 1 1 1 1 52469 28681 31549 27207 1 50734 1 37322 26821 23224 27449 1 1 27908 18984 13999 12941 19525 20075 1 23715 18568 1 25453 1 26904 31561 10661 40274 1 15907 19360 18902 1 22703 19558 1 1 1 23147 20499 1 18482 16242 13698 16221 1 11542 10835 23792 25470 1 16781 26094 11917 9500 12077 22490 22372 3779 6632 8882 1 1 15790 11305 10926 13302 14404 11017 1 14383 11523 1 1 1 14302 7248 10186 1 1 7943 7103 9906 8213 70.0035 *70.0035* C3 H2 O2 - 1.0158316 1 1 55412 1 1 51659 1 42609 50158 45111 1 1 12726 16544 23026 41967 46469 1 25010 32078 24230 32328 31965 27051 1 31166 33138 34337 25118 1 32933 40147 18899 21436 42248 39345 28074 14499 22351 28243 20538 40410 28957 30110 25106 11956 26940 23672 15209 27768 13824 25558 35480 15227 31755 36582 24934 15435 11117 21478 32095 31355 16578 42731 26449 31002 25315 27591 23784 9097 9708 41098 10167 11696 25340 27299 14340 23913 28964 29323 23521 9613 33794 8209 28769 27197 22386 23887 10441 37279 70.0035 *70.0035* 70.0035@1.2522883 1 1 1 1 1 32993 1 23611 22777 1 1 1 27333 18449 81081 1 1 1 22222 1 1 49536 1 57436 1 1 1 1 1 1 10291 1 1 11463 1 13298 1 20179 1 1 1 1 1 1 1 9254 1 1 47769 1 1 1 1 9957 1 4376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8672 1 39885 1 1 1 1 1 1 1 1 10189 1 28808 1 1 1 1 26979 1 70.0035 *70.0035* 70.0035@1.9163109 1 1 1 1 1 1 1 44354 1 1 1 1 12636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17294 1 1 13800 56693 1 1 1 1 1 14520 1 1 1 1 1 1 1 5725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20493 1 1 1 25262 1 70.0035 *70.0035* 70.0035@5.1803207 1 1 1 1 1 41290 1 29745 41224 1 1 1 39774 12891 22906 1 1 1 33240 1 1 25114 1 26402 1 1 32911 1 1 1 23800 1 30424 29144 1 21668 1 17753 23913 29396 1 1 1 1 1 19842 15954 14301 11435 15416 23403 1 14135 15776 1 15451 1 1 24588 1 1 1 1 1 13486 1 1 1 16049 1 1 1 1 1 1 1 1 1 1 17149 11109 1 1 1 18431 1 1 16007 11207 13335 70.0035 *70.0035* 70.0035@6.4006805 1 1 1 1 1 1 1 36584 1 1 1 1 14513 1 27811 1 1 1 1 1 1 24375 1 1 1 1 1 1 1 1 15671 1 1 19310 1 12640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0035 *70.0035* 70.0035@5.344171 1 1 1 1 1 1 1 1 1 1 1 1 1 16931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0035 *70.0035* 70.0035@0.66466576 1 56526 52540 1 1 11777 1 1 47680 1 1 1 1 1 52143 1 1 1 30054 1 1 1 1 1 1 1 1 1 31619 1 34289 1 1 1 1 1 1 18357 36715 35525 1 1 1 28837 1 1 1 1 1 1 1 27200 1 1 1 1 1 1 1 32026 1 1 24669 1 1 1 1 22940 1 1 1 1 1 21264 1 1 1 12497 21547 31820 20664 17268 1 1 1 1 1 1 1 1 70.0035 *70.0035* 70.0035@4.418861 1 1 1 1 1 1 1 1 1 1 1 1 1 37292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0035 *70.0035* 70.0035@6.5310864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0035 *70.0036* 70.0036@2.9918358 1 1 1 1 1 1 1 65915 1 1 1 1 39616 20943 20014 1 1 1 1 1 1 13348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6379 1 1 1 1 1 1 34038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21522 1 18884 1 1 11365 1 19747 1 1 1 1 3565 1 70.0036 *70.0036* 70.0036@4.0398583 1 1 1 1 1 1 1 37942 22432 1 1 1 1 1 1 1 1 1 23669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0036 *70.0036* 70.0036@4.226705 1 1 1 1 1 1 1 10831 1 1 1 1 37147 30390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0036 *70.0036* 70.0036@1.1568656 1 1 1 1 1 100696 1 1 1 1 1 1 59052 6235 1 1 1 1 40592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49567 1 1 1 1 1 1 1 34374 1 1 1 1 1 1 1 46612 1 51124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9272 1 1 1 1 1 1 1 1 1 1 23290 1 1 1 1 1 1 1 1 70.0036 *70.0037* 70.0037@1.6397967 1 1 1 1 1 34413 1 23446 14764 1 1 1 29383 30100 22222 1 1 1 33074 1 1 32679 1 1 1 1 1 1 1 1 48900 1 1 22116 1 19604 1 33388 1 1 1 1 1 1 1 20894 1 1 14250 17194 39180 1 23460 25170 1 15142 1 1 1 1 1 1 1 1 1 1 19220 1 1 1 17994 1 1 1 1 1 1 1 1 1 1 18530 1 1 1 1 1 1 1 1 70.0037 *70.0042* 70.0042@1.451671 1 1 1 1 1 21797 1 27119 1 1 1 1 21455 21922 1 1 1 1 18177 1 1 34047 1 1 1 1 1 1 1 1 26303 1 1 24484 1 1 1 16226 1 1 1 1 1 1 1 14010 1 1 16064 1 1 1 1 14076 1 4309 1 1 1 1 1 1 1 1 1 1 14222 1 1 1 9141 1 1 1 1 1 1 1 1 1 1 4776 1 1 1 1 1 1 1 1 70.0042 *70.0049* 70.0049@1.5252428 1 1 1 1 1 27523 1 1 1 1 1 1 1 1 1 1 1 1 32220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19938 1 1 1 1 1 1 1 30241 1 1 1 1 1 1 1 10921 1 9400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10728 1 1 1 1 1 1 1 1 1 1 12196 1 1 1 1 1 1 1 1 70.0049 *71.9537* 71.9537@2.7617893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4636 1 1 1 1 1 1 1 1 1 71.9537 *71.954* 71.954@2.576923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.954 *72.0212* Methylglyoxal 5062 5939 3080 1 4957 5095 6459 5972 5750 5690 4808 5980 6564 6860 12710 12933 3708 3780 14664 14830 21587 21772 15936 17273 16844 17469 17197 17920 25501 24422 4574 4828 6925 6631 33358 32946 21058 21515 7056 7309 21191 21339 6247 6119 12080 12115 10755 10147 4932 4598 27207 27724 4472 4646 8279 8633 5159 5455 6662 6642 35660 35099 3588 3897 9687 9054 6000 5885 3724 4431 7715 7937 4716 5136 5531 5592 4902 4932 6225 6735 13472 13278 4770 5362 5546 6139 6765 6838 5496 6113 C00546 72.0212 *72.0213* 72.0213@2.9757152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2499 3387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0213 *72.0213* 72.0213@1.333931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0213 *72.0214* Methylglyoxal - 2.88404 1 1 1 2178 1 12284 1 4380 13299 10696 1 1 4158 1 1 4651 1407 1 4502 2781 26374 4973 1 1 9743 8917 1 1 1 1 1 1 1 1 2794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3295 1 12917 3210 1 2477 1 18064 2254 17720 1 1 1 18990 17612 1 5548 26770 14601 2398 10479 4136 1 1 1 1 1 1 1 16644 13251 12641 12021 7316 15327 15113 6898 5593 1 1 C00546 72.0214 *72.0215* 72.0215@1.9874048 1 1 1 1 1 1 6427 6350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4687 1 1 1 1 1 5453 5099 1 1 1 1 72.0215 *72.0215* Methylglyoxal - 2.8082385 24710 19291 17430 14807 14838 1 8174 6627 1 1 34112 37568 12690 13937 1 1 7961 9646 8867 9209 1 19788 20958 20003 1 1 24847 25083 29587 37210 43508 40490 20735 20976 14349 13732 39073 41777 22097 22765 24922 22811 73381 72653 23116 21252 39139 39094 20461 23193 19639 18575 1 9697 33063 32178 21273 1 14514 1 33733 42555 12174 1 1 22940 23773 1 1 14662 6891 6541 37465 32511 21558 17891 31097 28320 10492 1 1 1 1 1 1 1 1 1 25577 28032 C00546 72.0215 *72.0224* 72.0224@1.626659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5303 4515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0224 *72.0532* 72.0532@1.9776437 1 1 1 1 1 1 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 1 1 1 1 3301 72.0532 *72.0541* 72.0541@2.803427 1 1 1 1 1 1 1 1 1 1 1 4535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5065 72.0541 *72.0568* 72.0568@1.3886017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22061 19065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0568 *72.0569* 72.0569@2.860321 1 1 88977 84853 1 1 1 33432 10158 1 1 1 58110 67295 39522 42255 8415 9384 1 1 1 1 72792 68518 6732 7656 1 1 1 1 1 25950 1 1 47352 47139 1 1 1 1 11494 1 6635 5440 1 1 3980 4367 1 7932 88627 80939 76421 59674 1 11473 6311 1 1 1 12233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16608 14773 1 1 1 1 122480 110894 1 1 1 1 6620 1 72.0569 *72.057* Tetrahydrofuran 58393 54852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51579 54886 1 16862 1 1 1 1 18167 18861 17726 16883 1 1 1 11277 1 1 29956 29093 40120 40928 1 1 1 1 14955 14158 1 1 5544 1 1 1 1 1 1 1 22488 22254 19616 20570 1 1 1 1 1 11215 22535 4545 1 1 19253 18602 1 8910 1 1 1 1 46659 49769 39456 42324 1 1 16387 16991 21115 20935 1 1 HMDB00246 72.057 *72.057* 72.057@3.1159484 1 1 1 1 1 1 1 1 12643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.057 *73.9506* 73.9506@2.721249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6317 1 1 1 1 1 1 1 1 73.9506 *74.0003* 74.0003@2.927864 10478 1 1 1 1 6115 1 1 1 1 1 14383 1 1 4806 3729 1 1 7059 2578 1 33070 1 1 8170 8556 1 1 1 1 1 1 7120 1 1 1 1 1 3199 1 1 2699 1 1 1 1949 1 1 2162 5284 1 1 1 1 1 18140 1 1 1 1 1 6803 1 1 23361 10595 8296 1 7515 1 19466 18086 1 1 1 1 1 1 1 1 35538 21264 1 1 1 1 1 1 3317 1 74.0003 *74.0003* 74.0003@1.9739126 1 14131 1 12244 14003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14086 1 1 11663 1 1 1 1 6944 1 1 1 1 1 1 1 1 12808 13712 1 14543 14841 1 1 6618 16686 1 1 1 7099 1 1 16603 1 1 17272 5529 1 1 1 10658 1 1 1 1 1 12536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0003 *74.0004* 74.0004@3.3356695 1 1 1 1 1 4402 1 1 3840 1 1 1 7704 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9648 11794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0004 *74.0006* 74.0006@3.0643525 1 1 1 1 1 1 1 1 1 1 1 1 4497 1 1 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7930 1 1 10001 1 1 1 1 1 1 1 1 1 9053 6967 1 1 1 5082 1 1 1 1 1 1 1 1 1 1 1 4003 3309 1 1 1 1 1 1 1 1 1 1 1 1 1 8912 1 1 1 1 1 1 1 1 1 74.0006 *74.0006* 74.0006@3.0046134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0006 *74.0362* Lactaldehyde - 1.969307 20651 11696 11880 13207 31572 25870 67354 66162 31658 28973 25147 28465 15629 8459 8681 8902 7039 8560 36365 37993 17641 16188 5599 19586 8123 8041 19214 20015 16149 11027 14085 15498 22995 22627 13849 15607 16421 17438 26510 26994 26800 27022 15867 17224 18869 18434 30783 29927 13441 22045 16986 19848 10147 11917 15100 15211 24986 26749 25774 25424 22843 24680 19270 19657 47298 44225 28811 28533 13921 12814 37325 40703 25391 24889 17133 16831 27250 27295 48420 46948 31457 31456 17769 13782 59440 62398 14190 12691 29713 31439 HMDB03052 C00424 74.0362 *74.0368* 74.0368@1.9712201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 7093 2187 1 1 1 1 1 1 1 1 1 1 1 1 7514 1 1 1 1 2795 2934 9963 1 1 1 1 74.0368 *74.0369* Lactaldehyde 33286 33770 38109 39629 57796 56091 36279 38053 31168 29962 37374 38465 33782 31277 28738 27523 24433 23933 63749 66370 40817 40228 29876 31438 48702 48590 50523 50108 51441 50104 30942 31996 37502 36469 18023 16511 42847 44283 41639 41107 27242 26867 45316 45613 61888 63340 39954 41024 63025 61429 49474 48190 49402 111572 35442 132795 68321 69437 46033 44932 54784 55397 57718 56721 50975 50466 53129 53009 39387 40055 28184 27196 42965 43086 31881 31839 49805 50273 61770 67374 72484 76760 86988 87355 60917 59860 56000 55637 34062 31749 HMDB03052 C00424 74.0369 *74.0369* Lactaldehyde - 1.8610281 37257 39830 35502 35551 26030 25664 24436 23472 24762 25428 34063 33666 33227 33109 32040 30229 23246 22757 45492 46638 46656 45962 22437 23749 25971 24353 50023 48857 32410 31964 27382 28969 32276 31853 26691 26013 31312 32142 75322 75988 36547 36876 42416 43174 26588 25643 36274 36414 32516 32248 29962 29165 26247 26506 35390 35444 36096 37576 38545 37825 26569 26069 45246 46140 32739 38736 36576 35210 25226 25274 73700 73549 40583 41946 27648 28149 47584 46300 61020 70570 49007 50037 34286 33257 58364 46970 55226 55007 32927 34041 HMDB03052 C00424 74.0369 *74.0369* 74.0369@2.6490805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0369 *74.0372* 74.0372@1.3390951 1 1 1 1 1 1 1 1 1 1 1 1 20231 12862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4510 1 1 1 1 1 1 1 1 1 1 1 74.0372 *74.0372* 74.0372@1.2118127 1 1 1 1 1 1 1 1 1 1 1 1 1 16747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0372 *75.032* 75.032@2.074214 20233 20444 1 1 1 1 1 1 1 3681 17107 14421 1 1 1 1 1 1 5061 4288 4047 1 1 1 1 1 1 1 1 1 1 1 1 1 16777 9328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9182 10611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22564 21718 75.032 *75.0321* Glycine 1 1 1 1 1 1 1 1 1 6184 3381 1 1 3555 6523 7631 1 1 8652 6422 1 1 1 1 2925 4258 1 1 1 1 1 5299 1 1 1 1 4082 1 1 1 3247 1 1 1 1 1 1 1 7715 5566 10003 12143 1 6812 6693 6923 5711 9377 5601 17724 1 4521 1 1 2854 9516 4532 4329 8154 7798 7930 13325 1 1 1 1 1 1 1 1 6171 6435 1 1 1 4448 4076 3922 5217 1 HMDB00123 C00037 75.0321 *75.0321* 75.0321@6.439158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5132 1 8132 1 1 1 1 1 1 1 3879 1 1 1 4350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4652 1 1 1 75.0321 *75.0323* 75.0323@2.1312668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75.0323 *76.0313* 76.0313@1.2076635 4462 3745 1 1 1 1 1 1 1 1 3509 3581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3701 6767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4502 6554 76.0313 *77.977* 77.977@1.883831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5982 3282 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2811 1 1 1 77.977 *78.0454* 78.0454@1.051036 1 1 1 1 1 1 6609 5507 1 1 1 1 1 1 1 1 1 1 22741 22456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2872 3145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.0454 *78.0463* 78.0463@1.973098 1 1 1 1 1 1 5522 4905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1894 1 1 1 1 1 1 1749 1 1796 1884 1 1 1 1 2136 1 1 1 1 1 1 1 2972 2864 1 1 1 1 1 1 1 1 1 1 1 1 2168 1 1 1846 1 1694 4721 4827 1 1 1 1 78.0463 *78.0465* 78.0465@1.429 1 1 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.0465 *78.0466* 78.0466@3.055436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 1 1 1 1 1 1 1 1 4263 1 1 1 1 15082 1 1 1 1 1 1 1 1 1 1 4872 1 1 1 1 1 1 1 1 1 1 1 5256 1 1 1 1 1 1 3776 1 1 1 1 1 1 1 1 1 1 78.0466 *78.0468* 78.0468@0.7782972 1 1 1 1 1 1 26864 28956 1 1 3062 3145 1 1 1 1 1 1 3608 3798 1 1 1 1 3599 3940 1 1 1 1 1 1 3612 1 1 1 1 1 1 1 1 1 1 1 4063 4071 1 1 1 1 4159 4268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3711 3689 1 5470 1 1 3350 3568 1 1 4948 5021 78.0468 *78.0469* Benzene 9043 8878 14437 14520 16814 7289 35414 33915 6224 1 26516 26118 24123 23480 6922 6633 8488 8633 8181 14046 1 1 1 1 11739 11345 5251 1 26018 25770 1 1 14950 15384 11816 8975 8206 8565 1 1 24834 23563 5722 5148 4408 9213 11055 10984 32598 17569 4917 1 1 1 7968 7204 1 1 1 1 10383 15035 5981 5925 16190 16455 34598 32619 9587 9501 20382 19843 2023 7735 6086 7224 9175 9178 5888 2169 44945 45301 1 1 15704 16122 1 1 9527 9264 HMDB01505 C01407 78.0469 *78.9729* 78.9729@0.8768431 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2316 1 1 4121 4572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8750 8844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3207 2925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.9729 *79.9261* 79.9261@1.2444419 5096 17006 18565 18323 7184 6388 11541 12285 5043 5141 6707 6345 9210 1 5949 6104 5032 89289 26847 4048 1 6100 8436 7594 1 1 1 6116 7357 5624 6696 5804 5286 5720 4883 1 1 1 1 5884 1 1 1 5489 24736 26944 1 1 1 1 6256 1 1 1 1 1 1 1 7636 1 8041 1 1 1 178557 167387 1 1 1 42288 1 1 1 7914 1 15298 1 1 61865 23620 1 1 1 1 1 1 1 6251 1 1 79.9261 *79.9262* 79.9262@1.1205529 1 1 1 172117 1 1 1 1 1 1 20162 20269 1 1 1 1 90348 1 1 25914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9262 *79.9265* 79.9265@1.0266529 584408 592260 1368875 1201501 618315 617970 1201952 1167935 373555 372871 586585 583471 906984 902694 528570 520450 460390 464162 601728 604971 797257 792268 545714 553868 634404 636427 553583 559950 684623 688059 781497 825334 606988 600536 393300 388183 624994 645950 868571 877092 438302 446632 698697 691402 734627 736344 832226 836118 571313 565417 919001 916083 687544 685558 463413 460422 622451 631861 728121 722260 491309 476188 910084 1119328 636061 653766 1036146 1028078 679606 632134 937448 936476 659512 645945 1061518 1016228 750021 777261 755142 816560 746784 728025 662892 675367 789245 782819 1101287 1090697 542217 547538 79.9265 *79.9929* Hydrogen sulfide 4134 5523 4162 4327 5776 4979 24327 24441 5668 5368 1 1 2855 1 1 1 1 3092 12281 12528 1 1 3066 1 1 2893 8677 9384 3539 3564 5389 4877 3594 4144 1 1 1 2797 5494 5429 8922 9571 1 1 3232 1 6583 6107 2694 3081 12361 12250 1 1 1 2298 12419 12208 1 1 2793 3131 4946 4963 19901 19530 6378 5836 1 2347 16976 16655 1 1 1 1 4002 4319 14240 14374 3950 3569 6615 5507 15121 15561 1 1 6596 6771 HMDB03276 C00283 79.9929 *80.0016* 80.0016@1.0270224 11655 11570 1 1 13371 12780 1 2462 6070 5858 12539 11608 1 1 9217 9018 8843 8350 12062 12279 1 1 10511 10571 11303 12549 10522 10280 13748 13891 1 1 12367 12901 6202 6435 12828 12796 1 1 7669 7338 15195 14135 1 1 1 1 10477 10871 1 1 12921 12770 8127 7581 13413 14047 1 1 8279 8280 1 1 15121 15508 1 1 13856 13712 1 1 13829 12375 1 1 1 1 1 1 1 15516 13709 13665 1 1 1 1 9872 10466 80.0016 *80.032* 80.032@1.0282539 3602 3198 1 1 3811 3576 1 1 1 1 3436 3270 1 1 1 1 1 1 3538 3405 1 1 1 1 3741 3829 1 1 4254 4405 1 1 3680 3837 1 1 3761 3729 1 1 1 1 4099 4008 1 1 1 1 1 3257 1 1 3862 3731 1 1 3701 3947 1 1 1 1 1 1 4267 4184 1 1 4077 3875 1 1 3961 3932 1 1 1 1 1 1 1 4463 3897 3596 1 1 1 1 1 1 80.032 *80.0858* 80.0858@1.03054 1 1 1 1 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 80.0858 *80.9642* 80.9642@0.72905743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7256 1 1 1 1 1 1 1 1 1 1 1 1 63048 1 1 1 1 1 1 1 1 1 1 1 49751 1 5356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9642 *80.9644* 80.9644@1.9717906 1 1 1 1 1 1 1 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5346 5137 1 1 1 1 1 3208 1 1 1 1 80.9644 *80.9645* 80.9645@5.287294 1 1 1 1 1 1 1 2156 1 1 1 1 1 1 1 1 1 1 4486 4643 1 1 1 1 1 1 2574 2906 1 1 1 1 2623 2917 1 1 1 1 9279 8925 2838 3547 3039 2791 2437 1956 4406 4548 3161 3132 3368 3801 2673 2596 2389 1 3813 3872 2658 3016 2827 2714 1 1 3305 3181 2984 3017 2509 3121 7811 8081 2034 1 1 1 1 1 2516 1 3027 2753 1 1 3597 3744 1 1 1 2759 80.9645 *80.9645* 80.9645@0.93097305 11688 4496 7221 7099 8262 8851 1 1 8400 11498 8288 8239 9319 3690 2254 2575 2717 4321 6266 9236 2962 2184 8704 8879 2751 2975 8348 8565 7157 1885 6221 1988 7427 9034 5160 5865 1641 6399 2326 9603 6096 3345 6425 5420 4711 5181 6360 2584 7811 7497 6955 7588 1263 5289 6989 3634 5953 2295 4799 1 5711 7746 1740 3956 4763 1 7292 1 6283 7328 3493 6600 4205 1 4429 4975 2318 5214 6314 3596 2528 3112 1808 7205 4096 2954 6373 4579 8034 8468 80.9645 *80.9645* 80.9645@0.9886799 1 8935 1 1 1 1 1 1 1 1 1 1 1 7424 1 1 4657 1 2984 1 1 8104 1 1 1 1 1 1 1 1 1 1 2711 2889 1 1 4986 1976 7596 1 1 1 1 1 1 1 1 1 1 1 1 1 5060 1 1 1 1 7721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7198 1 1 1 1 1 1 1 1 1 1 80.9645 *80.9646* 80.9646@1.0463812 2479 2178 1 1 1 1 1 1 4156 5014 9491 8920 1 1893 7579 8561 4661 5480 5499 1 6953 3688 9132 10762 8171 8946 1 1 6194 5473 1 5367 6084 6225 1 1 6360 5896 5390 6092 1 5432 1 1 1 3484 1 5371 1 1 5876 5153 3915 1 1 2710 1 5488 1 1 1 1 4239 1 8711 11184 1 1 1 1 4383 1 1 1 1 1 4745 1 3127 1773 5655 6089 7413 1 7482 5806 5876 3539 1 1 80.9646 *80.9648* 80.9648@0.7720785 340730 344163 198924 199243 378687 314633 720379 707063 293039 343352 363466 360274 296820 292390 257354 255711 262555 261408 459016 455917 282308 278187 254353 255427 302515 305379 227452 270513 266914 309672 248898 251378 392300 354810 253817 252859 274724 274316 209585 178578 178599 177897 194234 199572 406472 332229 107960 107578 241506 209475 435869 428141 131906 140461 237006 234191 366927 373153 144839 145650 127639 60597 143901 146257 247908 204953 350410 343605 189066 186041 258875 255940 188101 136727 132683 129081 271642 271515 340211 298133 228484 278234 139498 137495 375434 378338 132455 141626 461756 460211 80.9648 *80.9648* 80.9648@2.3446813 17139 17315 17380 16403 14374 14371 47104 43664 18335 16518 19681 20083 10069 10458 10477 9387 10007 9991 17882 19706 11899 12734 11913 12384 7113 7569 11311 10301 11336 12031 13370 13680 16032 15871 10371 9825 10725 10902 13078 12653 12487 13916 7249 7823 11148 11854 9993 9733 12074 14312 15598 14095 8870 8626 11125 10824 16575 17138 11268 13193 7940 8371 9476 7972 9887 10131 11348 11050 10496 9004 11845 9513 8294 8572 7938 7645 9303 9583 15429 17310 16478 15626 14462 14235 20960 20518 13796 13227 12474 13099 80.9648 *80.9648* 80.9648@2.7857828 4227 3746 1 1 1 1 3614 3461 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1988 2676 2608 2517 1 1 1 1 1 1 1 1 1 1583 2724 2578 1 1 1 1 1 1 1 1 3046 2318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 2385 1 1 1 1 1 1 1 1 1 1 1 1 4359 4157 1 1 5136 4396 1 1 1 1 80.9648 *81.0398* 81.0398@0.7699439 4989 3821 1 1 5220 5204 14174 12782 4370 4882 5417 4832 2931 3748 1 1 1 1 7248 6982 1 3558 3084 1 4776 5402 1 3237 3220 3984 3297 3445 6732 6558 3692 4026 3792 4413 1 1 1 1 1 1 6527 5113 1 1 1 1 6794 6618 1 1 1 2859 4790 4751 1 1 1 1 1 1 1 1 4137 4462 1 1 3612 3280 1 1 1 1 3442 1 4143 4738 1 1 1 1 5409 5579 1 1 7250 7756 81.0398 *81.9247* 81.9247@1.0304056 1 1 1472925 1481994 675377 1 1268689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184960 1200310 1 1 81.9247 *81.97* 81.97@1.1057838 8097 1 1 1 5225 5996 1 8309 4165 3627 1 1 5512 6305 1 1 10567 9770 1 1 5232 5991 1 14246 1 13280 11074 10244 1 1 4139 4392 14418 1451 8228 7508 7923 7536 8589 9385 1 10192 2623 3299 8312 9210 3455 4896 2887 3168 1 1 4908 2662 1 6427 4052 3939 6677 1 13254 11662 1 1 4739 8683 1 4161 4246 4846 7851 7428 1 1 1 1 5638 5055 1 8296 12318 1 5969 1 9310 1 14071 14163 3245 2333 81.97 *81.972* 81.972@1.2778112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4021 8215 1 1 81.972 *81.9722* Sulfite 1 8564 38035 37618 1 52599 2813 3538 1 1 10124 9047 1 1 8404 7302 1 1 25996 25154 1 1 13937 1060 14985 55694 40306 1 32105 33301 1 1 2211 72759 55194 54343 43044 41493 1 34963 9783 36782 38691 39142 1 64887 22488 22805 1 40800 1 1 27585 17985 6345 6163 1 1 1 1 1802 17303 1 1 1 41773 1 1 1 1 1 1 1 1 22440 25117 1 1 1 64112 49814 10392 34191 32928 1 1 9388 1 1 1 HMDB00240 C00094 81.9722 *81.9723* 81.9723@0.8265871 1 1 1 1 1 1 1 1 48826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56183 1 1 1 47704 1 1 1 28539 1 1 1 1 1 1 1 36717 1 1 1 1 1 2351 2157 1 1 1 1 1 1 1 1 1 1 1 1 25666 8308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9723 *81.9723* 81.9723@0.71605253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9723 *81.9724* 81.9724@1.7507944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6562 5592 1 1 1 1 1 1 5925 5244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9724 *81.9727* 81.9727@2.4725356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36511 36372 1 1 5003 4929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18595 17508 1 1 1 1 1 1 50232 48944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62111 58924 1 1 81.9727 *81.9999* 81.9999@1.0266504 12597 12922 1 1 14482 14406 1 1 6382 3686 12474 13143 1 1 11111 9386 10216 9373 13050 14341 1 1 11908 12040 13629 12654 11688 11546 1 1 1 1 15239 14790 7383 6404 15443 1 1 1 8918 8311 1 15967 1 1 1 1 12624 12840 1 1 16168 15625 8685 9438 15892 14621 1 1 9406 9715 1 1 1 1 1 1 16718 16123 1 1 14951 15025 1 1 1 1 1 1 1 1 15356 15571 1 1 1 1 11520 11021 81.9999 *82.0033* 82.0033@1.2033392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0033 *82.0307* 82.0307@1.0278089 3512 3460 1 1 3850 3804 1 1 1 1 3647 3597 1 1 1 1 1 1 4213 3460 1 1 3404 2974 4241 4075 1 3224 1 1 1 1 4686 4455 1 1 3922 1 1 1 1 1 1 5221 1 1 1 1 3692 3068 1 1 4093 4098 1 1 4103 4500 1 1 1 1 1 1 1 1 1 1 4426 4343 1 1 4195 4008 1 1 1 1 1 1 1 1 4173 4028 1 1 1 1 1 1 82.0307 *82.0415* 82.0415@1.1282927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0415 *82.042* 82.042@1.297406 1 10404 1 1 8610 1 1 1 12352 1 1 1 5105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8200 7544 1 1 8037 8329 1 1 4186 6112 1 1 1 1 1 1 1 1 1 1 6734 1 1 1 1 1 1 1 13527 13992 1 9891 7527 8882 1 1 1 9962 1 4085 1 1 1 5714 1 1 1 1 1 1 1 9157 1 1 1 1 23980 1 1 1 6172 11111 82.042 *82.1094* 82.1094@1.02704 1 1 1 1 1 1 1 3164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 82.1094 *82.9618* 82.9618@0.771089 12826 15457 9622 10290 14459 5814 31490 26684 14846 14642 17404 16860 11483 11963 11909 11443 11597 11294 19946 19515 12743 12117 10643 6280 14488 15281 10443 12409 13038 12110 10254 10992 18407 18324 11588 14034 13240 12996 8713 9274 8511 9134 10845 9382 17609 15994 5371 5272 11139 3475 17832 14284 6326 6957 8969 10463 16572 10522 6575 5981 6245 5649 6123 6764 9419 9330 14975 14590 8599 7490 7885 10994 7476 8021 6316 6114 12161 11749 14835 14230 10352 11670 7161 7437 14689 16384 5399 5461 18632 19414 82.9618 *82.962* 82.962@0.7784734 1 1 1 1 1 9081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6590 1 6199 1 1 1 1 1 6002 1 1 1 1 1 1 1 1 1 1 1 1 3335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.962 *83.0367* 83.0367@1.9801352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5231 1 83.0367 *83.037* 83.037@0.87614095 10838 10666 3052 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10000 9140 1 1 17106 16912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3579 3697 1 1 1 1 31460 44355 4465 4170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13666 12906 1 1 1 1 1 1 1 1 1 1 4093 4161 1 1 1 1 83.037 *83.9616* 83.9616@0.83955413 5435 5720 11875 11565 9422 7534 4408 3720 8116 8149 1 1 5552 6232 6608 7180 1 1 8250 8510 11405 12180 9496 10571 1 1 12097 10995 10126 10140 4841 4010 7682 7098 5389 6836 1 1 12911 12284 16353 15760 8172 10209 1 1 6819 7039 13822 14056 7507 5894 1 1 1 1 3280 3896 1 1 14387 13601 22603 23079 2264 5819 1 1 12836 12741 7571 6918 12787 12857 1 1 9147 8928 1 1 1 1 5609 5886 5452 5928 5654 5678 7019 5071 83.9616 *83.9678* 83.9678@0.7959332 1 1 1 1 1 1 1 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.9678 *84.0315* 84.0315@0.72811973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0315 *84.032* 84.032@2.0337226 1 1 1 1 1 7865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10857 27827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.032 *84.0321* Imidazolone - 1.9733089 21268 21593 21792 23240 22115 23610 28683 29092 25111 22962 29757 22480 19143 19381 23031 17979 25152 22200 21320 24067 32220 27737 19083 19881 20179 22628 23238 1 25757 25519 25652 29237 23654 4906 34024 17013 24702 24911 26914 25964 26733 26976 25550 34188 31193 34985 36340 34670 32104 34712 36937 39152 47436 30955 34495 39258 35659 39704 38410 37606 44161 34601 36779 34599 38413 30724 27626 30455 36288 39646 7029 33163 51068 30559 38625 32088 39262 35571 39993 38030 32282 32309 36705 35119 36704 44166 18210 17625 39298 35844 HMDB04363 C06195 84.0321 *84.0321* Imidazolone - 1.2548895 5168 1 1 1 1 3924 1 1 13740 6869 1 1 4928 1 1 1 18012 1 9888 14470 1 9373 1 1 1 11290 1 1 9674 7530 1 1 1 12401 1 1 13714 7396 6666 1 9255 1 1 3329 9272 16312 1 1 19629 20022 9359 1 1 17281 1 16612 1 1 1 1 1 1 1 15087 4978 10424 1 9165 1 1 1 1 12682 1 1 11360 11146 22340 1 8606 1 1 1 4654 23670 1 1 1 1 12408 HMDB04363 C06195 84.0321 *84.0321* 84.0321@1.0150161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4472 1 1 1 1 1 1 1 1 1 1 3115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0321 *84.0322* Imidazolone 1 1996 5387 1 14187 20009 4806 14860 1 9185 25111 1 1 1 8962 1 15848 1 9849 1 1 22044 1 1 1 30686 22602 1 1 1 1 20527 2235 1 1 17402 11512 1 18410 16523 1 16760 1 1 20254 34701 1 26227 20041 19651 23566 23649 17284 3818 17274 15932 1 27345 33411 29763 1 8483 22557 1 31546 1 11476 1 26217 30075 19807 1 22107 13973 21140 29804 1 23319 25925 21604 22143 21463 29341 26321 29291 1 41913 30255 1 20482 HMDB04363 C06195 84.0322 *84.0322* Imidazolone - 0.86869437 4405 4074 6756 7382 4010 7250 9153 8708 7543 7641 6616 8844 6448 9754 6808 8266 8881 6877 7958 6661 8132 7758 7053 7526 7783 7656 8320 9909 10689 8148 8667 7196 6043 10153 11639 1 8829 6645 7534 8317 6941 9161 1 6386 8346 10850 1 4941 8092 12355 11036 10918 8679 4335 9833 9959 1 9913 12992 14001 8247 7921 12695 17398 6765 5934 15119 7578 10448 1 1 7216 10690 1 10132 10160 8944 9351 1 9280 1 1 1 9833 1 1 11717 10791 8281 8089 HMDB04363 C06195 84.0322 *84.0322* Imidazolone - 2.0805917 7937 1 1 10806 12228 7169 1 12820 11507 13048 1 1 12410 7199 13024 6850 14637 14069 14213 12897 1 13029 1 12381 15010 15305 15184 1 1 13233 17586 14106 6605 16337 1 6927 1 1 1 1 1 14049 18735 1 1 7491 17919 19623 16066 17795 15975 17372 1 7960 10436 18081 1 16746 9304 18987 17964 1 18643 1 1 16765 4902 19947 1 18244 1 1 1 1 1 22450 18814 1 19300 1 1 20291 1 19676 18929 20344 1 1 5278 1 HMDB04363 C06195 84.0322 *84.0322* 84.0322@3.2490573 1 1 1 1 1 8307 1 1 7889 1 1 1 6513 6330 11371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0322 *84.0322* 84.0322@1.6399674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6921 1 1 1 1 1 1 1 1 1 1 1 1 20049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10981 1 1 1 1 1 1 1 1 84.0322 *84.0322* 84.0322@2.913444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9090 1 84.0322 *84.0323* Imidazolone - 1.0162789 8756 8077 1 9447 4593 6892 1 3828 7327 9086 7432 9335 11500 6372 7958 10367 7216 7480 9938 8108 11684 10284 9579 11265 9927 12209 6097 7720 6638 7839 1 1 1 9498 9191 12839 14432 11127 11157 13092 10484 1 10482 9050 15102 14697 9922 7801 5869 9174 8977 1 12311 13161 7384 1 7203 15342 6876 9444 1 1 8292 17265 7204 7048 1 15120 13941 1 11781 11448 8383 12973 1 15211 13252 14159 1 12515 8807 9710 9423 8563 11324 1 4037 7607 9891 13065 HMDB04363 C06195 84.0323 *84.0323* Imidazolone - 5.1180844 1 1 1 1 1 4336 1 6358 1 1 1 1 2828 8523 1 1 10928 1 1 1 3599 6917 1 9257 3552 7776 11782 1 7240 9282 9514 1 1 3926 12079 9659 8693 1 8457 1 1 12433 1 7646 7884 1 11107 11601 1 12310 16127 12949 17102 16258 21196 4642 1 13370 15373 1 1 1 1 1 1 1 10405 13194 4545 16439 11656 11309 1 1 14355 1 1 1 10963 16150 1 1 18199 10555 11155 1 1 19486 7140 8591 HMDB04363 C06195 84.0323 *84.0323* 84.0323@5.6081934 1 1 6186 5345 1 5542 1 6567 6324 1 1 1 6700 5243 1 1 7647 1 9188 1 5207 1 1 8235 1 6901 1 1 16191 1 9414 1 9581 8327 6448 3860 1 1 1 9070 1 1 1 1 1 1 7589 24618 10930 1 3599 1 1 4934 1 6948 1 9352 21549 1 1 1 1 1 1 1 11272 1 1 7671 9986 27824 1 1 9192 1 1 11048 1 1 1 1 1 1 5667 1 1 1 1 1 84.0323 *84.0323* Imidazolone - 5.743238 1 7989 1 13372 10401 1 1 6774 13888 9845 17831 1 6639 1 1 10830 9109 9765 1 1 14218 9335 9473 10132 1 1 1 1 19803 10359 12956 1 18724 1 1 1 1 1 1 10242 1 8750 1 1 1 20358 1 1 1 23142 17053 20920 1 19464 13815 18935 21394 26381 32419 11980 20945 34895 12022 21294 1 1 20976 1 1 19483 21818 1 1 1 1 20902 34980 13874 1 1 25816 39558 1 29936 1 1 19063 1 1 36303 HMDB04363 C06195 84.0323 *84.0323* 84.0323@1.4582971 1 1 1 1 1 11794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9048 1 1 1 1 1 1 10063 1 1 1 1 1 1 1 9864 1 1 1 1 1 1 1 9771 1 1 1 1 1 1 1 1 1 22899 1 1 1 11840 1 1 1 1 25546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0323 *84.0323* 84.0323@1.5334975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0323 *84.0324* Imidazolone - 5.360519 7217 1 1 6782 1 1 1 12924 4811 1 6334 1 14076 7846 1 9173 16193 5547 1 4738 6615 1 1 16208 5399 1 9280 1 1 1 6868 1 1 9038 7064 14315 10629 1 7669 10220 1 1 19809 1 22032 18585 11328 14788 1 1 1 1 14156 4530 1 7654 1 1 14030 1 21275 1 10008 9697 14152 1 1 7424 5602 1 10072 1 1 1 10919 1 22708 20989 1 12049 1 1 1 1 1 1 10663 1 6470 1 HMDB04363 C06195 84.0324 *84.0324* 84.0324@6.591324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5546 1 1 1 1 1 1 1 1 1 1 1 12365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0324 *84.0324* 84.0324@5.259433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0324 *84.0324* 84.0324@5.7427664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0324 *84.0325* 84.0325@0.96182805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7403 1 1 1 1 1 1 1 1 1 1 8982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0325 *84.0325* 84.0325@3.0524662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0325 *84.0325* 84.0325@4.983594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0325 *84.0326* Imidazolone - 1.1786416 14783 19330 22233 29075 28268 20873 20778 20001 23785 25649 21083 23680 26584 24377 29197 32576 30175 29537 31227 33855 31349 32880 29459 30031 31561 34315 34802 34284 30455 31191 36942 35847 37674 32115 29421 22770 43064 35983 32303 37678 32739 38060 33349 29487 31657 38833 34561 36648 49878 39275 44496 43292 48694 48410 48850 45279 37415 41795 34147 36417 56422 46676 55186 38144 33890 38591 43052 37894 47857 43163 29497 38867 43191 43598 46333 41678 38215 49701 42421 41946 39531 43622 40134 48500 41880 47526 49218 39600 46565 34481 HMDB04363 C06195 84.0326 *84.0326* 84.0326@5.809565 1 1 1 1 1 5106 1 7083 1 1 1 1 1 1 1 1 1 5602 1 1 8612 6369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10693 1 12153 1 1 1 84.0326 *84.9366* 84.9366@1.9625328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.9366 *85.9583* 85.9583@0.8417633 1 1 3309 3605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 3705 3188 2929 1 1 3197 3621 1 1 1 1 1 1 1 1 1 1 3965 3730 5409 4750 2813 2607 1 1 1 1 4752 5114 1 1 1 1 1 1 1 1 1 1 3961 4022 8022 7216 1 1 1 1 3902 3712 1 2151 3663 4192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.9583 *85.9977* 85.9977@0.87238944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.9977 *85.9977* 85.9977@1.2066905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1964 1 1 1 1 85.9977 *85.9979* 85.9979@0.8799803 4876 4452 4801 4579 4094 4499 3710 3994 3584 3933 4351 4523 4102 3617 3871 3796 3726 3354 3618 3822 3825 4154 4130 4292 3324 3359 3457 3505 3596 3369 3868 4263 5511 4728 3997 3954 4140 4583 4049 3633 3892 4004 4419 4224 3682 3659 3583 3914 4116 3993 4760 4122 3892 3814 4344 3987 4099 4115 3965 4182 3924 4185 4401 4717 1641 4561 4419 4237 4266 3734 4788 5026 3211 3675 4436 4175 3274 3261 3123 3378 3718 3231 4234 4096 4042 4659 3413 3409 3323 3554 85.9979 *86.0364* Oxolan-3-one 4398 5242 4933 6454 10019 7993 9348 10482 4932 8594 7393 1 4789 6787 16508 1 1 9867 16532 12819 1 3586 1 6659 7438 5979 3600 1 7474 1 14933 1 8708 8577 3561 9875 8226 10963 1 1 5845 1 6147 5300 11587 9351 7462 1 23853 24564 25832 12317 11954 14281 6013 10807 20005 22574 1 9788 14865 1 14866 14594 10108 8783 10631 9183 1 7746 1703 10683 7580 8104 18242 6125 1 9127 1 9378 1 11996 14965 6673 13720 1 4191 14963 10107 1 HMDB02523 86.0364 *86.0364* 86.0364@1.9992852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14724 1 1 1 86.0364 *86.0365* Diacetyl - 2.050988 6337 6165 4077 3857 12601 13765 24064 19611 12910 1 8810 8775 13227 10504 1 9170 5713 1 10438 1 1 2680 10790 9106 1 1 7587 1 9772 7291 4207 10082 13779 13922 8105 8185 4346 1 11134 11595 13463 13592 1 1 9705 8368 11291 12100 1 1 1 12286 1 1 7408 6711 1 1 1 10170 1 1 1 1 11211 12963 14560 14105 3424 5221 17020 1 8749 8922 1 11996 8506 1 1 1 20885 18892 1 8648 28168 29749 8034 12007 10324 10615 HMDB03407 C00741 86.0365 *86.0367* Diacetyl 5532 5144 2188 1 22382 22156 30377 30993 22022 21915 15252 15850 7875 7701 1 1 10779 10493 29411 30111 1 1 31830 33065 9867 9966 2230 2518 9672 10361 2840 2847 9379 9042 11622 11406 3077 3069 3858 4080 16094 15966 2561 2524 3599 3727 17584 17067 9334 9474 3462 3360 3853 3780 1 2368 2496 2842 28239 29109 10926 10863 2423 2812 16875 16517 8446 8838 3419 3340 9342 9718 12851 12849 16337 17104 13374 12881 4315 5325 6883 6671 2862 2636 28231 26532 3023 2745 21263 20985 HMDB03407 C00741 86.0367 *86.0367* Diacetyl - 1.7039394 50258 46581 55295 56194 83900 96042 91353 93677 71403 74684 86115 87528 80132 79551 79547 77075 60838 58088 154859 161472 67645 72486 76135 76667 63590 65192 53207 51072 65471 68391 106566 106646 82869 84139 64564 68097 106850 104124 116226 118825 75344 78494 68820 70520 79094 79513 67321 64407 92016 94761 109013 118831 52613 55901 66669 63419 102856 108449 73516 76727 67473 63023 92506 93531 90014 89652 82545 82733 58982 57308 110083 111373 60525 56398 62894 65464 76095 75403 82281 82991 115264 117629 46830 55070 102745 98941 121757 119454 91340 90687 HMDB03407 C00741 86.0367 *86.0367* 86.0367@2.9039361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5803 4729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5741 4884 1 1 1 1 1 1 86.0367 *86.0368* Diacetyl - 2.811758 3463 1 5312 5101 1 1 1 1 1 1 6912 8830 1 1 1 1 1 1 1 1 3420 1 5660 4097 1 1 4043 4490 7462 5681 10736 8393 4705 1 1 1 6228 5646 1 1 1 4421 13613 12608 5620 5331 6977 9497 6294 6731 3179 4108 1 1 5560 7291 1 1 1 1 7124 8276 1 2286 1 1 3606 1 1 1 1 1 7730 7332 5250 5394 9502 10359 1 1 1 1 2837 1 1 1 1 1 6011 6418 HMDB03407 C00741 86.0368 *86.0726* 86.0726@1.3370131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0726 *87.0676* 87.0676@2.0483675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7170 7212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0676 *87.9941* 87.9941@5.6614566 20415 19171 17984 18671 20863 19783 24067 23551 20971 7397 19350 18953 19921 21276 19997 19748 6469 19507 18235 18619 12038 15667 15605 17384 18078 12219 15460 3427 15529 14855 11868 15531 15382 15401 1 15036 12507 12989 12962 10436 13847 14228 12186 11929 11912 12334 3292 11058 8186 11347 2982 13404 7906 7416 2893 7833 9805 6405 1794 9389 8969 8608 10019 10439 9429 5947 1956 9860 6780 9900 8516 6593 7747 7335 6992 6548 1500 8021 7840 1 3506 1 7501 7098 1 4348 1 1 7184 7110 87.9941 *87.9942* 87.9942@5.447929 7428 6449 5423 7509 5085 5328 5791 5244 4519 5055 4057 5197 4867 4249 5895 5998 5414 5602 4842 5377 3829 3914 4049 3581 3853 3261 3388 3512 4591 3098 5123 3120 3236 3258 2669 2593 3387 3948 2570 2352 2989 2747 2670 3045 3155 2417 2376 2491 1 2419 2170 2419 2408 2555 1923 2606 1 2080 1931 2000 2085 2243 1 1 1528 1 1668 1 1 1732 1 1444 1590 1918 2773 2242 1590 1 1 1 1 1520 1662 1 1354 3587 1 1 1423 1 87.9942 *87.9943* 87.9943@5.6944637 1 1 1 1 1 1 1 1 1 14826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12006 1 1 3685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.9943 *87.9944* 87.9944@5.7911453 11020 11161 14301 11006 12072 15169 11176 13733 13215 13390 11263 12836 14762 11752 11763 11659 13573 13539 10096 10148 4088 10236 11148 13425 9677 10506 8775 9221 9423 8272 9763 9876 10327 5444 10882 10165 6891 6764 7996 3397 9073 9058 6314 6834 7242 1 8608 6716 6477 6817 7325 7713 7019 9060 6229 6035 4892 4392 5456 5662 5306 5375 7336 7389 5134 3050 7100 5196 2892 6761 1 2550 1 5392 6476 5602 4562 5170 4578 7248 2920 8569 4229 4373 5263 4624 1 1 5471 4180 87.9944 *87.9954* 87.9954@5.773175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10515 1 3787 1 1 1 1 1 1 1 1 1 1 3581 1 1 1 1 1 8013 1 1 1 1 1 1 6319 1 1 1 8514 1 1 3975 1 3051 1 5403 7288 1 1 1 1 1 1 5760 4326 1 6634 1 4628 1 6689 1 1 1 4295 1 1 4216 3557 1 1 1 4739 1 4432 4102 1 1 87.9954 *87.9993* 87.9993@5.677517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8775 7735 1 1 87.9993 *88.0158* 88.0158@0.84082717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0158 *88.016* Pyruvic acid 127030 126843 99888 98181 128212 127774 35332 54297 66795 67718 53803 52502 76748 80791 105606 101815 67020 33563 125139 126878 139351 137845 44273 45627 124656 127832 61368 61555 69226 70292 77775 72064 108032 109034 115048 115999 124215 130336 183786 183177 83899 84042 109391 114574 115776 117104 129052 125913 143707 142541 134712 132428 109169 106483 116187 113601 59529 59724 146574 143984 74553 74993 147925 147543 165205 159960 94752 91475 183788 179624 194682 180983 135304 140616 84787 87899 106482 114402 100429 99660 77715 74091 76440 74447 164989 162708 176175 184247 90154 88602 HMDB00243 C00022 88.016 *88.016* 88.016@3.767341 1 1 1 1 1 1 1 2236 1 1 1 1 1 1 3188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.016 *88.0161* 88.0161@2.919145 1 1 1 13629 1 13480 1 5676 1 1 11944 1 1 1 1 1 1 38430 4339 1 1 4718 1 4007 4455 1 1 8099 1 1 1 1 20726 14878 1 1 1 12854 1 1 4263 20641 9919 1 1 10496 1 1 1 20325 9647 12218 1 18479 16205 1 1 1 1 1 1 1 1 1 10486 1 1 1 5699 13213 1 1 1 1 1 1 1 3192 1 1 1 3173 1 2512 1 1 1 1 2167 7894 88.0161 *88.0161* 88.0161@2.958234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2497 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6458 1 1 1 4304 1 1 1 1 1 1 7626 1 88.0161 *88.0163* 88.0163@2.6653821 1 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 11370 7639 1 1 1 1 1 1 1 1 1 1 1 1 1 7327 1 1 1 1 7041 5586 1 1 1 1 1 12525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6576 4057 1 1 1 1 1 1 1 1 88.0163 *88.0163* 88.0163@3.4650118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0163 *88.0163* 88.0163@2.851897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4357 1 1 1 1 1 1 1 1 88.0163 *88.0192* 88.0192@1.9741309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4784 1 1 1 1 1 1 88.0192 *88.0489* 88.0489@2.0147383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3217 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6831 1 1 1 1 1 1 8204 1 1 1 1 1 1 1 1 1 1 1 1 1 2585 1 1 1 1 1 2520 1 88.0489 *88.0515* C4 H8 O2 8734 17279 6992 8302 4485 15726 35279 34299 4901 14575 11752 10899 5937 4948 6598 5942 8289 13975 11829 14089 11282 14665 11559 10732 4584 7684 6253 7337 16956 15544 10962 12838 9863 11815 6135 4964 4798 11086 10200 5865 7921 8055 12566 7112 10550 9650 7917 7153 16690 9288 17746 12264 13380 12940 4390 5286 13201 14029 6306 7113 5697 1 8219 7178 10961 12158 9959 9312 1 8523 4625 7873 8527 8667 7980 5371 12869 6002 16317 18349 8540 1 12262 9055 28831 18897 6202 9159 6159 10092 88.0515 *88.0517* Acetoin - 1.6783701 1 3870 1 1 1 6463 1 5634 1 1 1 6133 1 9864 6142 4790 1 1 4497 5680 1 1 1 1 5197 3367 5488 9352 8379 14323 1 1 2189 4397 1 1 1 1 17384 16671 1 1 1 4984 59926 61625 6080 5786 5440 1 10867 12643 5803 3793 1 1 4648 4433 6557 7079 12896 15469 1 1 2250 20635 8431 15557 7913 6630 1 1 4245 5762 4345 3098 6126 2831 8527 12153 1 7887 10334 15611 14301 13634 37559 27998 3850 4094 HMDB03243 C00810 88.0517 *88.0517* Acetoin - 1.7853503 1 1 1 1 10799 14721 1 11741 10175 1 1 1 1 1 1 1 1 1 1 1 10248 13853 1 5130 1 1 1 1 18260 11514 1 1 5407 9199 1 1 1 1 3859 3949 1 1 1 1 1 1 1 1 5581 1 5958 1 12465 2531 1 1 4622 1 1 1 1 1 1 1 19467 1 1 1 1 1 1 1 1 1 1 1 1 1 4539 1 6590 18358 11257 1 1 1 1 11886 12594 11413 HMDB03243 C00810 88.0517 *88.0518* 88.0518@1.8118309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5714 1 1 6983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0518 *88.0522* Acetoin 14353 14361 22825 22686 40652 40517 28130 27639 13006 12775 21126 20363 15107 18840 14978 14407 13428 14066 36635 36029 16990 16913 20880 21799 18399 25464 20631 20089 22022 22833 18155 17303 27240 26080 8386 8181 19533 20046 25482 25499 14384 15072 16902 17994 20506 20403 19074 18491 23617 22833 32804 32624 18908 19020 23989 23539 21182 22682 17262 17612 10836 11009 18638 19430 14796 13410 23932 24264 18982 18478 10957 11500 23226 22163 16050 14995 23485 22434 27378 28579 31946 31925 18698 18828 17038 17499 21205 21542 22187 22512 HMDB03243 C00810 88.0522 *88.0523* 88.0523@1.1991711 1 1 1 1 1 1 1 1 1 1 1 1 3515 1 1 1 3644 3973 1 1 1 1 1 1 6050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5647 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35475 34192 11325 5373 1 1 88.0523 *89.0191* 89.0191@3.2612412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0191 *89.0472* 89.0472@3.4661524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6210 5612 1 1 1 1 1 1 2748 1 1 1 1 1 1 1 1 1 1 1 89.0472 *89.0475* 89.0475@6.401203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3436 1 1 89.0475 *89.0476* 89.0476@4.801241 1 1 1 1 1 1 4231 4221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3642 3878 1 1 1 1 1 1 1 1 1 1 89.0476 *89.0476* beta-Alanine 4021 3954 3895 3887 3623 3847 4164 3893 4433 4619 6121 6669 4379 4811 5619 5845 4509 4363 10371 9947 5080 4756 7770 7523 7397 7669 5067 5225 5356 5829 4867 4748 6203 5800 6708 6731 8693 9676 5064 4715 7985 7845 6257 7887 5521 4865 6194 5845 8293 8837 11915 11809 8605 8579 8194 7172 7660 7470 5565 5636 7816 8087 6589 6820 8920 8606 10997 11208 7442 7026 12209 13819 5619 6037 5752 4938 5572 5929 4480 4710 6415 6836 6024 5634 5999 7068 9251 5459 5820 5763 C00099 89.0476 *89.0476* beta-Alanine - 6.940412 1 1 1 1 6198 6610 1 1 1 1 2639 2342 1 2445 1963 1 1 1 1 1 4366 4259 1 1 7589 7172 2147 1 2576 2906 6328 5757 1 1 1 2148 1 1 1 1 1 1 2643 2774 1 1 1 1 3034 2510 1 2065 3312 3424 1 1 5268 4848 2662 2780 2673 2464 1 1 4182 4127 4652 4733 4799 5144 10047 9458 4412 4254 1 2622 1 1 3812 3837 1 1 2666 2736 3122 3094 3267 3353 2078 1 C00099 89.0476 *89.0478* 89.0478@2.5363746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0478 *90.0312* Lactic acid 21245 20079 15729 18814 19980 20007 27973 28179 15334 20476 26054 25849 12654 8360 15855 16093 14104 14500 22918 24653 29309 25718 12219 16684 13956 13637 22173 25447 17377 20945 17230 19569 19219 23069 10856 12326 24195 20851 33926 33046 22717 16791 21933 22475 28832 30072 29970 27217 29859 24156 29412 35398 18545 18932 27199 32897 48702 45247 28823 32141 30209 34080 25894 25850 34864 33684 26441 34105 30772 31647 24272 19682 26067 21390 17110 16809 32469 32647 51156 48373 41228 44139 38105 40597 50871 56839 16689 17810 38126 38348 HMDB03328 C00186 90.0312 *90.0312* Dihydroxyacetone (glycerone) 1 1 1 1 3227 7607 10056 1 9301 1 7651 1 8304 1 1 9954 9516 1 1 1 1 1 12166 1 1 8840 10569 1 11487 14303 1 11608 4509 12715 1 1 13813 12670 12019 13023 1 1 15541 4485 14166 6960 8171 6389 13788 5304 12363 13498 1 1 10977 12109 1 1 10343 17074 13822 14406 1 1 13175 7369 1 16314 2954 1 3919 17435 2794 5674 1 1 9898 1 1 10864 6653 1 7336 8470 1 15985 1 4737 18152 11010 C00184 90.0312 *90.0313* 90.0313@1.6822337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12578 13674 1 1 1 1 1 1 1 1 1 1 29296 26677 1 1 1 11318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18615 20025 1 1 90.0313 *90.0313* 90.0313@1.168636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5342 1 1 1 1 1 1 1 1 90.0313 *90.0314* 90.0314@0.83309555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5120 1 5336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5257 4736 1 1 1 1 1 1 1 1 3718 1 1 1 1 1 4824 1 1 3761 1 4785 1 1 1 1 1 1 1 4671 90.0314 *90.0315* Lactate 1 1 1 31419 53317 122058 1 93455 118468 1 1 1 54654 100265 56556 134751 1 1 39479 65689 1 1 1 74047 1 64845 58423 37422 1 73024 144678 36769 78510 66412 81600 159819 1 176483 1 1 102341 120293 59171 1 1 78938 1 1 54639 1 1 1 1 129745 1 62377 1 1 1 69179 176332 54352 104370 1 1 1 59074 1 119727 60853 70473 128205 190998 1 82786 1 38134 1 1 1 1 48948 1 65487 1 1 83787 82498 116104 122266 90.0315 *90.0315* glyceraldehyde 1 1 1 1 46659 1 1 35985 1 1 1 1 1 34438 22441 1 1 1 45273 1 1 82410 76332 73926 1 54459 87074 1 1 1 1 1 89655 31109 91268 1 1 1 1 1 75567 61101 61849 1 1 58309 1 97089 28798 59924 1 1 68732 53083 1 124050 103175 1 1 1 1 1 69879 95498 1 1 73224 1 1 95992 143967 1 1 1 63204 1 1 1 1 68439 1 133330 74538 106716 99660 1 1 1 87024 71683 HMDB01051 C02154 90.0315 *90.0315* 90.0315@0.9744117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4522 1 1 1 1 1 1 1 1 1 1 1 4468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4748 1 1 4297 5065 4884 1 1 1 1 1 1 1 1 90.0315 *90.0316* 90.0316@2.7946463 1 1 1 1 1 383874 103386 104456 118521 45180 1 1 22268 138777 416779 1 92222 113542 638325 667200 1 219741 366121 309838 1 1 447705 1 1 1 190070 636228 1 1 219041 288209 1 568414 322809 209488 1 1 1 1352376 1 313283 1 1 608506 1 1 1 1 450199 1 238009 1 1 1 1 1 1 1 1 1 1 64321 1 1 1 132897 1 1 1 389214 376615 1 1 1 1 366896 395830 29384 1 1 1 1 1 246537 1 90.0316 *90.0316* 90.0316@4.963864 1 1 1 1 1 1 1 20092 1 1 1 1 1 1 8005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38301 1 1 1 1 25397 1 1 1 1 1 1 39307 1 1 1 1 1 1 1 1 90.0316 *90.0316* glyceraldehyde - 5.612617 44553 1 1 30558 1 45924 30499 24719 25024 35383 32227 32849 22940 20236 33598 37947 34874 1 7788 47662 1 42497 34433 1 1 34896 50035 48665 42804 1 48543 1 47778 35171 1 38200 1 42512 50839 1 1 69136 1 43113 1 41243 41101 1 37186 38243 45797 1 41888 39177 65343 31601 1 51876 33467 1 42649 40834 43890 42818 38411 1 48213 1 1 42909 27892 1 38295 75703 39257 40751 1 1 1 1 1 54556 61550 39332 1 40861 57451 1 42398 69595 HMDB01051 C02154 90.0316 *90.0316* glyceraldehyde - 5.743466 45445 35228 23889 30218 27384 37113 31506 26250 30350 35493 39705 40299 22216 21394 35685 35543 32883 31144 49897 74483 1 37242 33037 24801 38873 40485 53861 55971 43977 36855 35759 1 46016 49058 41912 49388 44763 45497 56551 50000 52901 68817 38087 47187 60356 61795 49907 46188 42876 28702 33960 41723 43252 42125 57778 43944 63779 67247 55944 58811 52856 62765 67948 69442 51505 49483 64747 65231 51592 66074 84827 84314 53426 65013 54065 50551 55618 48009 80900 79820 78595 82280 105080 62966 70094 63916 64875 51176 71888 83851 HMDB01051 C02154 90.0316 *90.0316* 90.0316@5.816336 1 1 1 1 1 20948 1 12918 12912 1 1 1 15087 13665 22245 39605 1 1 25098 1 1 17960 1 14148 1 25077 1 1 26538 1 20398 1 52302 21172 1 24622 1 27292 1 1 1 1 1 1 1 25948 1 1 23961 22626 41694 1 25854 21486 1 25305 1 1 1 1 1 1 1 1 1 1 34507 1 1 1 37032 1 27043 1 1 1 1 1 38434 1 1 39691 1 26741 1 1 1 1 31725 38022 90.0316 *90.0316* 90.0316@5.4204993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0316 *90.0316* 90.0316@6.582007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10414 1 10669 1 18593 1 1 1 1 1 1 1 1 1 1 1 14927 1 1 1 1 1 20209 1 1 1 1 1 1 1 1 1 1 14283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30080 1 1 1 1 1 1 23039 26261 90.0316 *90.0316* 90.0316@7.518704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0316 *90.0317* 90.0317@6.674067 1 1 1 1 1 1 1 1 11176 1 1 1 1 1 8923 1 1 1 12954 1 1 13325 1 1 1 1 1 1 1 1 7982 1 1 18003 20503 21555 1 14347 1 1 1 1 1 1 1 18945 1 1 17539 9965 1 1 1 12382 1 11244 1 1 1 1 1 1 31867 1 23446 29180 17033 1 1 23871 39120 1 1 1 1 1 1 1 1 1 1 16069 1 1 1 1 1 1 20433 21914 90.0317 *90.0317* 90.0317@11.003884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0317 *90.0318* 90.0318@4.045351 1 1 1 1 1 1 1 56231 28058 1 1 1 18034 12199 21473 1 1 1 41833 1 1 24984 1 1 1 1 1 1 1 1 35891 1 1 38881 1 33490 1 31045 1 1 1 1 1 1 1 27626 1 1 1 32853 1 1 1 33812 1 40773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37717 1 1 1 1 1 1 1 1 1 1 55117 1 1 1 1 1 1 58705 1 90.0318 *90.0318* 90.0318@5.731148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62542 1 1 34354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0318 *90.0318* 90.0318@3.484382 1 1 1 1 1 6945 1 1 1 1 1 1 1 10059 19247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0318 *90.0318* 90.0318@6.40573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12743 1 1 1 1 1 1 1 1 1 1 1 12732 1 1 14945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0318 *90.0318* 90.0318@4.4110503 1 1 1 1 1 1 1 1 1 1 1 1 10861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0318 *90.0319* 90.0319@3.4007294 1 1 1 1 1 42823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0319 *90.032* 90.032@3.105265 1 1 1 1 1 170804 1 317134 63138 1 1 1 254931 489758 94730 1 1 1 1 1 1 513909 1 1 1 1 1 1 1 1 7172 1 1 1 1 34290 1 362257 1 1 1 1 1 1 1 269782 1 1 1 1 1 1 1 118868 1 93541 1 1 1 1 1 1 1 1 1 1 276409 1 1 1 102784 1 1 1 1 1 1 1 1 1 1 518626 1 1 1 1 1 1 188350 1 90.032 *90.032* 90.032@3.0088773 1 1 1 1 1 1 1 1 1 1 1 1 169419 1 80092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 688040 1 1 1 13517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.032 *90.032* 90.032@2.7368464 1 1 1 1 1 1 1 1 1 1 1 1 22215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.032 *90.1108* 90.1108@2.9036922 1 1 1 1 1 7307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27908 1 1 1 1 1 1 1 1 1 1 1 18717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14812 6205 1 1 1 5395 1 1 1 1 1 1 1 1 1 1 1 1 23121 1 1 1 10436 1 1 1 1 1 1 1 1 1 1 26346 1 1 1 1 1 1 1 1 90.1108 *90.1108* 90.1108@3.0069656 1 1 1 1 1 2777 1 1 1 1 1 1 2884 1 9374 1 1 1 1 1 1 7528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12087 1 1 1 13015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27457 1 1 1 4789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.1108 *90.111* 90.111@2.6522706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17309 16926 1 1 1 1 1 1 1 1 1 1 1 1 1 7298 1 1 1 1 7593 9667 1 1 1 34351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7490 8958 1 1 1 1 1 1 1 1 90.111 *90.1111* 90.1111@3.1354985 1 1 1 1 1 3267 1 1 1 1 1 1 10993 11783 1 1 1 1 1 1 1 1 1 9195 1 1 1 1 1 1 1 1 1 1 1 23201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6380 1 1 1 1 1 1 1 1 16658 1 1 1 1 1 1 1 4732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.1111 *91.0173* 91.0173@0.66275454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0173 *91.033* 91.033@5.0876117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3671 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3357 1 2138 1 1 1 1 1 1 1 1823 1 1 91.033 *91.0341* 91.0341@3.3676353 1 1 1 1 1 1 1 1 1 1 1 1 2844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 7952 1 1 1 1 1 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1 1 1 91.0341 *91.0342* 91.0342@3.197859 1 1 1 1 1 2787 1 1 1 1 1 1 13640 1 1 1 1 1 1 1 1 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 4334 1 1 1 1 1 8771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2842 1 91.0342 *91.0343* 91.0343@3.1203632 1 1 18901 1 1 1770 19377 1 24011 7252 1 1 8592 1 2721 1 1 1 1 1 1 3624 1 1 1 1 1 1 1 1 1 1 1 1 1 7342 1 2149 1 1 1 1 1 1 1 4414 1 1 1 2604 1 1 1 1 1 3128 1 1 1 1 1 1 1 1 1 1 5475 1 1 1 5602 1 1 1 13503 1 1 1 1 1 1 1 1 1 1 1 1 1 7128 1 91.0343 *91.0345* 91.0345@2.8611352 1 1 50776 1 1 1 1 1 1 1 1 1 1 1 1 37236 1 1 1 1 1 25613 1 1 1 1 1 1 1 1 1 1 5612 56671 1 15462 1 2807 1 1 47744 49981 1 1 1 4020 1 1 1 21827 1 1 1 5470 1 29051 1 1 1 1 1 1 48203 1 1 1 1 5119 1 1 1 11050 1 1 1 1 1 1 1 1 1 8522 1 1 1 1 5011 1 1 1 91.0345 *91.0347* 91.0347@2.9045181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0347 *91.9933* 91.9933@1.9969677 1 1 1 1 1 1 5027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3583 3375 1 1 1 1 1 4013 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.9933 *91.994* 91.994@1.335983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8678 3407 1 1 91.994 *91.994* 91.994@1.9716383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.994 *92.0356* 92.0356@2.962214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 1 1 1 1371 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 92.0356 *92.0359* 92.0359@2.8644986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2971 1 8609 1 1 1 1 1 2871 1 1 15659 1 1 1 1 1 1 3970 1 1 10547 1 12397 5700 7080 1 1 1 1 5121 3070 1 1 1 1 1 1 3032 1 6952 1 1967 8408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6945 1 1 1 1 1 1 1 1 1 1 1 92.0359 *92.062* C7 H8 2797 2735 1 1 2327 2644 1 1 1 2005 3762 4018 2542 5160 2599 2538 1 1 3445 3202 2635 2534 1 1 6016 6660 4408 2353 2427 2160 1 1 1 1939 4805 5784 2925 3029 2020 2668 1 1 1 1 5465 5580 1 1 1 1 2714 2470 1 1 2624 2622 1 1 1 1 1 1 1 1 1 1 5495 4965 1863 1 2294 2840 3781 2274 1723 2142 3084 2760 3415 3394 3035 2841 2161 2020 1 1 1 1 7686 6927 92.062 *93.0316* 93.0316@0.7048556 1 1 1 1 1 1 1 1 1 1 2239 3630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3352 1 1 1 1 1 1 3288 1 2028 1 1 1 1 2082 1 1 1 1 1 1 1 1 2967 1 1 2335 1 1 1 1 1 4782 1 1 2842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5333 1 1 2338 1 93.0316 *93.0319* 93.0319@2.0220196 1 1 1 3973 1 3666 5308 1 1 1 1 1 1 1 1 1 2258 1 4085 4526 1 3516 1 1 1 1 1 3424 1 1 1 1 4497 1 3035 1 4964 4309 1 1 1 1 1 1 1 1 1 3758 1 1 1 7822 1 1 1 1 5207 4962 1 1 1 3742 4767 3943 6115 1 3938 1 1 5442 2755 1 1 5760 1 1 1 5823 1 1 1 1 1 6102 4862 1 1 1 7860 1 93.0319 *93.0319* 93.0319@2.0697057 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 3329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3036 1 1 1 1 2886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0319 *93.0321* C4 H3 N3 - 2.0017393 3400 8824 9713 4851 12155 2493 6140 2234 5019 6757 6061 9807 1 4450 7527 9585 6882 2612 5987 5073 9519 6853 1 6980 4258 1 1 2139 7994 10577 10316 4670 2078 1 5192 4335 3279 2074 8864 7347 9178 9071 10370 10801 11279 1 4733 8916 10751 10834 11843 2768 6468 4025 8526 7683 2339 8538 12942 5297 12614 8064 6916 3069 5825 6564 6779 1 8142 6906 6664 7317 11216 4687 9886 11185 1 2249 10444 5124 11857 8617 7423 6198 8774 12685 8774 10709 6674 5447 93.0321 *93.0321* 93.0321@5.0592494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3596 1 1 1 2393 4097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 1 1 1 1 1 4158 1 1 3854 1 1 1 1 2890 1 1 4518 1 1 1 1 1 4120 1 1 1 1 5604 1 1 1 1 1 1 1 3283 1 1 1 1 1 1 1 1 1 93.0321 *93.0321* 93.0321@0.7173284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0321 *93.0321* 93.0321@5.026547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0321 *93.0322* 93.0322@1.0063806 4169 1 4007 4479 4118 3624 5000 3320 1 3913 4565 3277 3613 3945 1 3278 4938 1574 3656 4918 4831 3792 1 1780 2932 1 1 2439 5117 1 5789 5122 2688 4802 3511 1 1 2209 5515 2067 4565 4227 4375 5459 5086 6016 4717 4776 1 2564 1 3844 2843 1 3257 3575 4264 4086 4742 5063 1 1 2897 3660 3356 2537 1725 1 2296 3455 3770 4746 5408 5843 2504 3558 2687 3051 5131 2000 4943 2851 1 3880 4656 1928 4674 4055 5313 3181 93.0322 *93.0322* 93.0322@5.6481476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0322 *93.0322* 93.0322@3.0729277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0322 *93.0323* 93.0323@3.0073338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2759 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0323 *93.0324* C4 H3 N3 - 5.397994 1 1 1 1 1 1 1 1 1 3188 3084 1 1 1 1 1 1 5503 1 1 4296 3170 1 1 1 1760 1 1 1 1 2307 2105 1 1865 3068 5669 1763 1 3465 5308 1 2624 1 1 2955 1 1 4394 1 1 6169 2290 1 4150 5412 3195 2198 1 5032 1 2903 3767 1 1 4702 4198 1 4963 3572 1 4224 3080 4890 2229 3386 3002 3826 1 1 3008 1 1 4479 3658 1 3840 1 1 1 3900 93.0324 *93.0324* 93.0324@5.7619505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 1 1 1 1809 1 1 1 1 1 1 1 2251 1 1 1 1 1 2160 1 3864 1 1 1 1 1 1 1 1 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 3708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0324 *93.0324* 93.0324@3.0348403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0324 *93.0326* 93.0326@1.1395236 1 1 1 1 2294 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4619 1 1 1 1 1 2986 1694 1 2226 1 1 1 1 1 1 1 1 1 1 1 2386 1 2218 1 1 1 1 1 5701 8454 1 1 1 1 2553 1 5477 1 1 1 2121 1 2107 1874 2229 1 1 1 1 2573 3280 3324 1 1 3602 4694 93.0326 *93.0327* C4 H3 N3 1 1 1 1 3704 3560 1 8194 2547 3173 5446 4732 1 4190 1 1 1 1 6780 9667 1 1 1 1 1 1 1450 1 2389 1 3035 2608 9773 6041 1 1 1 1 6473 1 2458 1 3257 1 1 7225 1 1 2089 1 1 1 1 1 4098 1 4574 3839 1 1 4390 1 4423 2162 1 1 4115 1 3039 2330 2467 2570 1 1 1 1 1 3353 1 3404 1 7532 1 5333 6018 5301 1 7527 5612 1 93.0327 *93.0327* 93.0327@2.771402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4449 5559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6462 1 2941 3168 1 1 4910 5819 3840 1 6701 4642 1 1 1 1 2537 1 1 3668 7557 1 1 1 1 1 1 1 9421 8765 5861 5554 5950 6519 1 1 2554 1 1 1 93.0327 *93.033* 93.033@1.1294357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 1 1 1 1606 1 1 1 1 1 1 5346 1 1 5336 1 93.033 *93.0331* 93.0331@2.7137315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4771 4427 1 1 1 1 1 1 5991 5407 1 1 1 1 1 1 1 1 6169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0331 *93.9318* 93.9318@1.2209818 2230 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2586 2787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 2066 1 1 3193 1 1 1 1 1 1 1 1 1 2227 1 1 1 1 1 1 1 2580 1 1 1 1 1 1 1 1 1 1 1 2970 2475 2738 2228 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 93.9318 *93.9346* 93.9346@3.3211324 1 1 1 1 1633 1 1 1 1 1 6112 1 1 1 1 1 1 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3845 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 4426 1 1 1 5064 1 1 1 1 93.9346 *93.9346* 93.9346@0.663946 1 1 3574 5649 4887 1 1 1 1 3247 1 1 4776 1 6838 5261 1 1 1 1 8865 4076 1 3236 1 3908 9457 1 1 1 1 1 1 1 1 1 1 5919 8600 4532 1 1 1 1 1 3042 1 1 1 1 9093 1 1 1 4300 6780 5091 1 1 1 10029 1 4469 1 1 1 1 1 1 1 1 1 1 1 1 1 7727 1 7955 1 2827 1 1 1 1 1 7219 6489 3982 9867 93.9346 *93.9348* 93.9348@3.6528113 1 1 1 1 1 1 5440 1 1 1 1 1 9223 6564 1 1 1 1 1 5173 1 1 1 4508 1 1 1 1 3154 1 1 1 6105 1 1 1 3923 2200 1 1 1 1 1 1 1 1 1 3358 1 1 1 1 1 1 1 1 1 1 1 3408 1 1 1 1 1 1 1 1 1 1875 5890 1 1 1 1 1 1 1 1 1 1 1 1 1 5090 2360 1 1 3156 1 93.9348 *93.9349* 93.9349@3.7764177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5705 5442 1 1 1 1 93.9349 *93.935* 93.935@2.0909011 1 1 1 1 1 14346 1 24491 35434 28429 1 1 27132 22266 5966 1 1 1 13783 1 35216 35380 1 17171 1 21007 1 11570 28840 29419 21934 33331 14438 12366 1 8678 1 8273 1 29070 1 24073 24727 33300 1 28230 26717 12150 7376 23141 1 21397 1 20282 1 18504 1 1 11851 1 16516 30828 1 18813 8466 1 20650 1 1 30765 33238 1 1 29525 1 1 34148 1 26459 1 1 33837 1 1 13589 23422 1 24549 19860 12054 93.935 *93.935* 93.935@2.880644 1 1 1 1 1 1 1 2936 1 1 1 1 4843 1 1 1 1 1 10927 10837 1 1177 1 1 1 1 1 1 1 1 3866 1 1 5551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12677 13128 1 1 1 1 1 1 1 1 1 15775 1 1 1 1 1 1 1 1 93.935 *93.9351* 93.9351@2.1639144 1 1 1 1 1 14095 1 5905 1552 1 1 1 2302 1 15300 1 1 1 19059 1 1 1 1 1 1 1 1 18454 1 1 5262 1 20282 21620 1 13126 1 22826 1 1 1 1 1 1 1 1 1 17529 15588 7373 1 1 1 4435 1 13507 1 1 16041 1 1 1 1 1 15065 1 15633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18380 1 1 1 5037 15292 93.9351 *93.9351* 93.9351@2.7520552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9351 *93.9352* 93.9352@2.807801 1 1 1 1 1 11090 1 7164 8022 9653 1 1 2863 6992 10699 1 1 11922 1 1 1 3734 7668 5070 11488 10883 1 1 1 1 4466 1 1 5102 1 3955 1 1 1 1 1 1 1 1 4644 4801 4233 1 1 4658 1 1 12926 14707 1 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 13380 1866 1 5558 1 1 1 1 1 1 10845 13572 1 1 11709 11638 8936 1 1 10436 8927 93.9352 *93.9352* 93.9352@2.697921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9352 *93.9353* 93.9353@2.3557825 1 1 1 1 1 1 1 1583 2447 1 1 1 2025 1 6950 1 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5199 1 1 1 2223 1 1 1 1 1 3827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9353 *93.9353* 93.9353@2.421861 1 1 1 1 1 1 1 2681 1514 1 1 1 1 1 1 1 1 1 2548 1 1 1 1 1 1 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9353 *93.9353* 93.9353@2.615653 1 1 1 1 1 1 1 2883 1 1 1 1 5815 5071 5797 1 1 1 6756 1 11825 1 1 1 1 1 1 1 1 1 3070 1 1 1 1 5313 1 8637 1 1 1 1 1 1 1 1601 1 1 1 1968 1 1 10887 1 1 2845 1 1 1 1 1 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 14362 1 1 1 1 1 1 10239 1 1 1 1 93.9353 *93.9353* 93.9353@2.657161 1 1 1 1 1 1 1 5410 8679 1 1 1 5058 1 1 1 1 1 1 1 1 11692 1 1 1 7972 8178 1 1 1 8506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8611 17709 15768 1 9575 1 1 14966 15605 1 1 1 1 1 1 1 1 1 1 1 1 16309 1 1 1 1 1 1 1 1 1 1 13176 1 11740 1 1 1 1 2586 1 93.9353 *93.9353* 93.9353@3.5761898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4972 1 1 1 1 93.9353 *93.9355* 93.9355@2.641782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.9355 *94.0373* 94.0373@1.2911032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0373 *94.0378* 94.0378@0.9802708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0378 *94.0382* 94.0382@1.9718686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0382 *94.0405* 94.0405@5.308525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0405 *94.0408* 94.0408@0.9230092 2558 2819 1 1 3634 1 7246 5495 1 2000 3368 3168 1 1 1 1 1 1 4875 4506 1 1 3767 9814 1 1 5294 3553 1 1 1 1875 4849 5751 1 1 1 1 1 1 1 2192 1 1 2669 1794 1 1 1 1 5290 4929 1 1 1 1 4639 3790 1 1 3865 2524 1 1 3788 3349 4242 4192 1 1 2127 1 1 1 4427 2688 2325 2182 2900 4100 3188 1 1 1 4401 3856 1 1 1 1 94.0408 *94.0412* Phenol - 0.98422074 20065 21939 1 1 3801 4950 18117 15333 10590 8669 43861 44632 5842 6054 1 1 1 1 18017 16373 4661 5498 8527 3098 1 1 1 1 1 1 1 1 1 1 73784 70893 1 2747 9290 9416 6462 7356 1 1 19123 17559 1 1 1 1 1 1 4010 3303 1 1 13472 14625 1 1 1 3170 3644 1 18307 17361 5071 6310 9089 8563 14999 15426 1 1 1 1 17149 18505 1 1 4982 3516 8366 8583 23807 24577 1 1 24153 25555 HMDB00228 C00146 94.0412 *94.0412* 94.0412@5.5472474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10740 4460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0412 *94.0413* Phenol - 1.9744366 102025 102356 7431 5121 14032 9096 63603 60983 15818 18107 76111 66953 9381 7638 2630 2753 1969 2520 22892 26450 37367 42457 14730 14339 3595 1 6564 1 1 2713 2601 3505 10450 4021 65277 67661 12137 11132 19419 17804 91109 71515 5041 1 23779 25779 54284 49964 67172 57911 22434 17363 34660 32985 7473 4689 27818 30826 15875 15711 9254 1 8396 8521 14116 12538 6948 10099 7103 8965 125721 127827 8818 8979 25341 27876 13164 12314 9282 32139 17068 13684 30296 39765 40305 46735 51179 24190 108026 110710 HMDB00228 C00146 94.0413 *94.0414* Phenol - 2.0737092 369274 373800 1 1 4560 1 49313 49038 92378 95505 350087 308996 3222 1 1 1 12061 8038 162753 156103 102178 95530 79744 53954 1 1 1 1 1 1 1 1 1 1 359189 224702 1 1 35743 37113 64877 52040 1 1 69274 72727 3211 1 1 1 1 1 2522 5968 1 1 109428 105165 15357 16462 1 1 15696 20069 63901 66813 50418 50911 35218 1 136321 140337 1 1 1 1 58416 58540 1 1 8092 5178 75680 81586 45612 44621 1 1 581284 586831 HMDB00228 C00146 94.0414 *94.0414* 94.0414@1.139441 1 1 1 1 1 1 1 1 1 1 2719 1 1 1 1 1 1 1 7433 6997 1 1 7891 1 1 1 1 1 4110 3634 1 1 1 1 1 1 1 4562 1 1 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3766 1 1 1 1 1 1 1 1 1 3456 3787 1 1 1 1 1 1 1 1 94.0414 *94.0415* 94.0415@5.1899323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5684 10331 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0415 *94.0416* Phenol 28225 29007 107659 102668 77309 78101 254840 248381 12058 12695 22832 21726 35872 36050 21826 21607 34508 33205 50670 48050 48023 45125 24315 25948 11891 13745 150738 148564 203018 203045 100689 102784 211776 215177 77798 78048 628790 632210 17410 16415 140759 140771 104464 103632 54812 55848 239363 241487 31939 32091 230994 232790 197251 197859 155749 154565 30995 30335 61310 64547 368375 361679 130018 133178 44892 45283 143709 145929 28497 27874 26955 26288 32486 32244 66460 63405 33132 32912 126853 129924 237477 232953 54913 55308 62193 61906 148167 149815 112431 113408 HMDB00228 C00146 94.0416 *94.0416* 94.0416@4.05068 3609 4263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5614 7557 94.0416 *94.0417* 94.0417@1.4689299 1 1 1 1 1 1 1 1 3228 1 1 1 1 1 1 1 1 1 14952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5104 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13596 1 1 1 1 1 1 65729 1 1 1 1 128327 1 1 12614 1 1 647349 1 94.0417 *94.0417* 94.0417@2.117991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38721 1 1 1 1 1 1 1 1 1 1 1 65972 1 1 1 1 1 22336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67829 65039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0417 *94.0419* Phenol - 1.2099077 4806076 5860396 1 1 8921 1 1 226777 508728 403344 3225914 3322541 34122 38816 26270 17374 1 49987 928343 778612 1682373 1663816 690448 709518 1 22489 1 2736 15920 17925 1 1 1 1 7346971 7144155 7910 4801 1 1 458352 1 5184 7729 878897 348705 4668 6700 7175 1 10114 8446 22612 30942 1 1 539077 537772 347650 341199 10152 8109 1 1 326149 299572 453992 456547 364360 1 8993525 8706460 1 1 8707 66980 334080 170818 2695 2838 51139 41358 261003 714560 95338 72155 1 1 3118235 5640126 HMDB00228 C00146 94.0419 *94.0419* 94.0419@2.17734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0419 *94.0422* 94.0422@1.3581284 478692 1 1 1 1 1 1 1 1 127954 1 788351 1 5571 1 1 1 8825 104841 373226 1 1 1 1 1 3482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 7683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90123 1 1 1 13206 234576 1 1 22107 1 1 1737810 1 94.0422 *94.0487* 94.0487@1.6797142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3690 1 1 1 1 1 1 1 1 1 1 1 1 1 5629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0487 *94.0527* C5 H6 N2 1 1 5106 4008 1 2880 22972 22504 1 1 1 1 10511 9415 1 1 3307 3935 1 1 1 1 1 1 5540 4196 11697 12374 47438 47533 1 1 1 1 1 1 5327 5997 1 1 1 1 1 1 1 1 3391 1 3487 4302 9104 8208 1 1 1 3188 1 1 170421 172500 7456 7628 8436 8569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5221 5121 11339 10463 1 1 13490 13098 14624 13543 1 1 94.0527 *94.0529* 94.0529@2.6743133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22399 22770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60395 60165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0529 *94.1221* 94.1221@0.76289666 1 1 1 1 1 1 3944 3752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2974 1 1 1 13248 13285 1 1 1 1 1 1 1 1 3474 3681 1 1 2822 3175 1 1 1 1 1 1 1 1 6373 5981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3400 3414 1 1 1 1 1 1 1 1 94.1221 *94.1228* 94.1228@1.2100431 1 1 1 1 1 1 1 1 6071 5649 1 1 1 1 1 1 1 1 1 1 1 1 8320 10325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4490 5862 1 1 13932 15534 1 1 1 1 1 1 1 1 1 1 9392 9233 2245 2847 1 1 1 1 3197 3059 5454 6248 3084 3375 1 1 1 1 1 1 2995 1680 1 1 1 1 1 11416 1 1 1 1 1 1 94.1228 *94.123* 94.123@2.052353 5135 6669 1 1 1 1 1 1 1 1 4838 3757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3321 6605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2277 2599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9894 10950 94.123 *94.9298* 94.9298@1.1986101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.9298 *95.0367* 95.0367@4.2883635 1 1 1 1 1 1 3837 3966 2926 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3304 1 1 1 1 95.0367 *95.0368* 4-Hydroxypyridine 6111 6202 1 1 37728 36623 13755 17018 86919 89371 37878 38628 16468 19355 1 1 15964 16401 49087 47231 1 1 49188 48771 11234 10893 1 1 12662 7673 1 1 8349 9671 14950 24397 1 1 1 1 17670 46909 1 1 5342 4486 21109 21804 20287 20197 1 1 1 2060 1 1 1 1 10818 10976 17395 15395 1 1 52933 52148 20776 7421 1 1 10895 10407 61812 60545 21932 21784 8885 18828 3164 2960 11605 12119 1 1 37853 36398 1 1 23711 23810 95.0368 *95.0368* 95.0368@0.8556617 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5079 1 1 1 1 10295 1 1 1 1 1 29105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13649 1 1 1 1 1 1 1 1 10920 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0368 *95.0389* 95.0389@0.8255079 1 1 1 1 1 1 6882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0389 *95.0451* 95.0451@1.4288259 1 62651 1 1 1 1 1 1 6687 1 42245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3527 1 1 1 1 1 1 1 1 8219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3436 1 1 1 1 3430 1 1 1 1 1 2491 1 1 1 1 1 5570 8254 1 1 1 1 1 1 95.0451 *95.0451* 95.0451@1.3199555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4246 1 1 1 1 1 1 1 1 6014 1 1 1 1 1 1 95.0451 *95.1269* 95.1269@1.205348 5255 5960 1 1 1 1 1 1 1 1 2467 3309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4928 5949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10014 10276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4850 3806 95.1269 *95.9316* 95.9316@0.6564017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 5923 1 1 1 1 1 1 1 2734 1 1 1 5119 1 1 5827 1 1 1 1 1 1 1 1 1 1 1 4999 6573 1 1 1 1 6683 3817 5087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8990 1 6299 95.9316 *95.9319* 95.9319@2.0802588 1 1 1 1 9363 1 1 8208 1 1 1 1 1 1 1 1 1 1 17575 8027 1 6414 1 1 1 1 1 11323 1 1 18868 18095 22778 22101 1 1 1 7687 1 7168 1 1 16896 16551 1 1 1 1 1 14349 5810 1 1 7526 11593 8980 1 1 1 6262 18569 17188 1 8976 6947 1 20301 19979 19380 1 1 1 1 1 1 1 11633 1 1 1 1 14822 1 1 6042 9463 1 1 1 1 95.9319 *95.9321* 95.9321@2.1141727 11039 1 17938 17127 1 15297 7586 6749 17118 17317 1 1 12474 17950 16398 1 15492 1 1 10097 1 11194 1 1 1 15231 16826 1 15201 1 1 1 1 1 1 24613 1 7393 1 13755 1 17608 5620 1 1 16336 1 22898 20187 1 14259 1 12345 1 1 12232 18677 20940 16749 13996 1 1 10988 12282 14917 16771 1 1 1 1 8321 1 1 1 20851 1 1 1 1 1 1 1 1 1 12658 1 1 1 16429 1 95.9321 *95.9323* 95.9323@2.345535 1 1 1 1 1 1 1 4181 1 1 1 1 1 1 1982 1 1 1 4099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3417 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9323 *95.9323* 95.9323@2.797578 8994 1 1 1 9080 8299 8601 3680 9984 7526 7588 1 5826 2113 7719 8396 1 8622 9285 7836 7726 3095 1 3492 6911 7994 1 1 3775 1 4736 4996 3762 8559 1 3838 1 2592 3774 4252 7251 2924 1 1 1 4526 3080 2819 1 3890 1 10922 9289 2840 1 5024 1 9589 6703 5377 11182 1 1 1 2649 1 3161 1 10073 6299 8362 7400 3948 1 2984 1 2926 1 4753 10096 11508 10482 9926 5712 1 7631 1 1 3359 4000 95.9323 *95.9323* 95.9323@2.6550226 1 1 1 1 1 1 1 1 6468 1 1 1 2158 4196 1 1 1 1 5131 1 1 8415 1 5111 1 7242 1 1 1 1 1 4758 1 4058 1 3000 1 5483 1 1 1 1 1 1 1 2086 1 1 1 6228 1 1 7058 6778 1 1 1 1 7200 1 1 1 1 1 1 1 4174 1 1 1 10303 1 1 1 1 1 1 1 10504 1 8691 7925 1 9225 1 1 1 1 1 1 95.9323 *95.9323* 95.9323@2.7960453 1 1 1 1 1 1 1 1 1 1 1 1 5412 1 1 1 1 1 1 1 1 1 1 4857 1 1 1 1 1 1 1 1 1 1 1 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9323 *95.9329* 95.9329@2.6822963 1 1 1 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9329 *95.9877* 95.9877@2.344225 9923 9536 9535 9416 7940 7917 24754 23646 9042 9430 10547 10183 5859 6028 5338 5521 5897 5642 9975 10563 7302 7006 6590 7693 4655 4093 5966 6136 6404 6604 8308 8294 9236 8596 5747 5215 6772 6493 7379 7435 7254 6801 4742 5085 6694 6531 5970 5562 7240 7227 8088 8361 5153 5136 6141 6181 9756 9226 6478 6323 4667 4964 5141 4876 5673 6232 6465 6289 5551 5157 6030 5825 4976 5173 4324 4803 4574 5017 8656 8464 8895 8939 7691 7403 10902 10568 7958 7650 7062 7181 95.9877 *95.9881* 95.9881@2.7832975 20364 22950 4295 4971 6009 5173 16258 17217 5407 5406 8750 8719 7743 7995 6215 5766 3954 3834 8794 8765 5259 5376 6638 6533 7268 7629 12554 13087 14786 13122 6315 6385 6213 6140 4905 5132 10164 9774 7258 7865 15513 16677 3833 4248 4926 5329 7663 7694 4293 4212 13381 12535 5450 6165 6035 6518 9266 9254 7538 7765 6646 5472 6309 6748 7787 6889 15260 15159 4214 4592 7454 7916 4982 5115 5161 5050 6162 5580 7644 8016 23788 22950 7047 7253 29492 28458 5002 5055 5030 4902 95.9881 *95.9882* 95.9882@1.8879492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9882 *96.0468* 96.0468@1.4368562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0468 *96.047* 96.047@1.3637295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.047 *96.9418* 96.9418@2.4267128 7533 7055 7078 6932 7328 6796 6170 5881 1 1 10097 9962 4471 4708 1 1 1 1 6864 6978 5379 5638 1 1 5607 5859 7576 7417 1 1 4232 4783 7949 8410 1 1 1 1 2946 7679 5941 6642 6937 7238 8487 8827 4666 1 1 1 1 1 1 1 6382 6054 5265 5116 5846 5812 3649 10292 10181 9730 5660 6366 6326 6387 5559 5684 9593 10438 4993 5518 1 1 4031 1 1 1 9019 9658 1 1 5934 6135 5142 4762 4244 1 96.9418 *96.942* 96.942@2.4505873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.942 *96.9441* 96.9441@1.9844923 1 1 1 1 1 1 1 1 3368 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.9441 *96.9595* 96.9595@0.9505349 1 1 1 1 1 1 1 1 1 2748 1 1 1 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 3353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.9595 *97.0264* C3 H3 N3 O - 1.9738709 4298 3911 3988 1 4256 4179 14309 14629 6370 7014 4329 3459 1 1 1 1 1 1 4702 5707 1 2491 1 1 1 1 1 1 1 1 3938 1 8032 7247 1 1 8784 7761 1 1 1 1 1 5244 1 3303 3411 6051 4485 1 5458 5271 2746 1 1 2477 7222 7168 3202 4181 6452 2668 2413 2446 4888 1 2593 2609 2458 3237 2764 1 2150 1 1 2115 2599 2441 3662 2999 2978 2414 4880 5949 5420 7818 1 1 5927 6091 97.0264 *97.0272* C3 H3 N3 O 27078 26643 24697 25544 31759 31961 25044 30527 31526 31379 23313 29482 29617 28462 22621 19797 16345 17416 32083 30341 28751 29901 29250 29222 24370 23256 28724 27353 28489 28246 34787 32938 30617 30475 32472 34724 30400 33565 29885 27971 35017 34366 32696 34219 29255 30255 38067 36182 31323 29851 30833 31273 34881 33879 32962 33490 34057 35081 34179 33868 29002 27364 32395 35110 34890 34697 36732 40579 33877 36194 43427 43362 34238 35581 36351 34294 30995 32388 34245 31284 35089 33325 32790 32219 31844 34671 37298 36067 37275 37924 97.0272 *97.0273* 97.0273@1.5924518 1 1 1 1 1 1 1 1 1 1 1 1 14771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18213 1 17071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16014 1 1 1 1 1 1 97.0273 *97.0274* C3 H3 N3 O - 1.5228724 162859 163346 79503 81223 180579 97709 87995 173169 175981 182452 88715 173446 76276 92023 105815 55744 99154 52845 86328 84755 159147 161125 78851 145667 65662 63449 145080 146844 139260 61890 87874 74775 85189 151611 157934 86805 87624 86679 80682 145871 90538 170305 156104 85318 137381 77902 165788 169818 141137 79778 86753 83541 158465 79156 74916 142539 84621 87813 82683 164805 69969 126670 86684 157137 144772 79419 91938 163952 78935 80030 193554 101808 79784 78617 80645 78927 128600 70810 72035 68570 137201 128867 132688 60770 148120 75427 88701 87661 81391 158687 97.0274 *97.9434* 97.9434@3.2846963 1 1 1 1 3834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9434 *97.9658* 97.9658@2.0191092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5676 6857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9658 *97.9669* 97.9669@1.0723573 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3614 6371 1 1 4715 4691 6577 7383 1 1 1 1 1 1 1 1 1 1 5575 1 1 1 1 1 1 1 5095 4749 1 1 1 1 3108 3146 1 1 1 1 1 1 1 1 1 1 1 1 3599 1 1 1 1 1 4269 1 1 1 1 1 97.9669 *97.9671* Sulfate - 0.9545675 26948 26954 1 3348 7371 8269 14614 14541 11997 11034 16017 14510 7955 7952 4734 4865 4091 4812 8651 8473 8599 8951 15211 13428 7299 7009 9322 8597 9332 7069 4070 3415 17781 18393 6567 6918 18061 18520 43495 41816 16487 14169 9465 8079 5026 3538 1 5056 5642 4333 20027 18580 9816 10734 9355 8608 22003 20902 2994 3856 6702 6474 9509 9278 9489 5246 8280 6838 9713 9578 14291 18429 4479 5492 1 1 7314 6833 31093 38434 15360 14482 18866 18796 14922 16260 2630 1 8908 9638 HMDB01448 C00059 97.9671 *97.9672* 97.9672@1.4218134 3987 1 1 1 10361 11840 14800 15004 1 1 1 1 6796 4681 1 1 1 1 27503 28844 1 1 1 4436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3457 5151 1 1 1 1 1 1 1 1 1 4035 1 1 1 1 1 1 1 1 1 1 15838 17578 1 1 1 1 1 1 1 1 4389 3074 5638 5268 1 1 4444 4882 1 1 1 1 16505 16969 1 1 6269 5247 97.9672 *97.9673* Sulfate 4547 4324 3000 3302 4881 5020 8085 8205 6050 5640 6602 7559 4466 4231 1 1 1 3600 3561 3182 4529 4158 8090 6059 2957 1 5310 5024 4948 4016 4807 7960 10344 12551 1 4479 10442 8159 1 4339 8052 7928 5233 3617 4430 4424 6712 6368 3902 1 7859 6626 6223 5597 8819 8104 5632 6087 22670 1 5568 4824 4875 4772 5207 4517 4943 5508 5469 4686 8750 8587 6095 4656 1 1 3540 3100 15952 15421 9292 9104 10433 10931 5273 8376 4290 5444 5954 6160 HMDB01448 C00059 97.9673 *97.9679* 97.9679@0.94023985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9679 *98.0114* C3 H2 N2 O2 - 1.7720795 7738 5631 7206 5988 7543 8001 19614 19132 7111 7501 7085 6782 4231 5614 5470 5330 5685 5510 8378 9244 4875 4896 4424 6811 4769 5505 6781 5812 5190 4468 6855 8354 6280 8022 7507 6828 4526 5375 3922 1 8394 7194 1 4888 6327 5783 10357 10445 7136 6398 7712 8510 1 4637 5531 3235 10337 11589 1 1 10509 10592 6607 6308 3925 1 9310 8227 6495 5616 7472 5278 1 1 4135 4527 5429 5066 10644 10458 6145 8871 8085 7651 9478 8366 5086 5413 7633 8088 98.0114 *98.0118* C3 H2 N2 O2 34988 31331 28411 28441 37926 38978 36010 38121 38741 37577 45613 36772 37268 33754 24207 22871 29343 21519 38857 39559 35273 46737 32361 48974 39770 39988 32051 33278 35330 47779 52231 35613 48115 32095 52742 51596 36637 35599 32074 36070 51870 38201 48855 36172 33164 44945 37979 57493 32675 47629 48317 33080 37434 38896 33563 46071 52677 49443 35505 34447 47451 33218 39332 55278 36536 29923 55495 39739 54255 52430 32821 62437 52021 38296 35752 52836 28037 33207 30552 34001 36051 33543 36094 35616 51134 35735 49356 37183 37504 39114 98.0118 *98.0119* 98.0119@1.5602796 1 1 1 1 1 1 1 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 6230 1 1 1 1 1 1 1 5033 1 1 1 1 1 6464 1 1 1 1 4494 1 1 1 1 1 1 1 5181 1 1 1 1 1 1 1 1 1 1 1 98.0119 *98.0119* 98.0119@1.5071499 1 1 1 1 1 1 1 1 1 4262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0119 *98.0119* 98.0119@1.9794405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 98.0119 *98.0142* C8 H2 14260 16701 14262 11495 14413 15202 18064 15328 14900 11217 1 12795 12423 15117 10249 10999 1 1 11856 16327 14078 1 9753 1 1 1 12259 12132 12341 1 1 15237 1 12584 1 1 13034 16473 12312 12320 1 14038 1 14316 12492 1 16754 1 12945 1 1 16427 13696 13463 15584 1 1 1 16251 12374 1 13927 14276 1 13671 13500 1 16827 1 1 16730 1 1 14021 13216 1 14487 10396 11627 11181 13438 13326 12688 14233 1 16698 1 13976 16133 19167 98.0142 *98.0156* 98.0156@1.9640816 1 1 1 1 1 1 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0156 *98.03* 98.03@1.979 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.03 *98.034* 98.034@2.0035398 1 1 1 1 1 1 7029 3965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.034 *98.0356* 98.0356@2.8575025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4235 4576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0356 *98.059* 98.059@4.2537117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.059 *98.0591* 98.0591@4.2184668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25945 20858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0591 *98.9513* 98.9513@2.9064722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.9513 *98.9514* 98.9514@1.975819 9853 11370 10257 10138 11397 11615 10290 7811 1 11861 1 10696 9297 9606 6108 8645 8421 9443 10421 1 9186 9775 4106 9228 1 1 9331 10572 7302 8120 8875 1 10648 11282 7503 8352 9178 8935 10104 8510 9527 7743 1 10012 1 1 9274 9204 1 9024 1 9034 7708 7497 7648 4521 1 8332 1 11261 4540 9069 7884 1 10641 3813 8545 1 1 7908 8700 8959 9657 9357 9400 8381 8971 1 9224 1 1 1 10179 1 7329 9062 1 1 1 8631 98.9514 *98.9517* 98.9517@1.6515805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8240 6716 1 1 98.9517 *98.9526* 98.9526@1.1105961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8809 9051 1 5636 1 1 1 1 1 1 1 1 1 1 1 1 10152 11335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4277 1 1 1 1 1 1 1 1 1 1 1 10677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5676 1 1 1 98.9526 *98.9947* 98.9947@1.0832194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3440 3492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.9947 *99.0142* 99.0142@3.3746357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0142 *99.0309* 99.0309@1.4475951 1 1 1 1 1 1 4533 5069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3813 4971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4314 4403 1 1 1 1 99.0309 *99.0419* 99.0419@2.965946 1 1 1 1 1 1 4012 1 1 1 5019 4876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5727 6137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6835 6236 1 1 1 1 99.0419 *99.0427* 99.0427@4.1020336 1 1 1 1 1 1 8940 8125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2758 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3830 3359 1 1 1 1 3587 4181 1 1 1 1 99.0427 *99.9469* 99.9469@6.1444907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9469 *99.9559* 99.9559@0.7004016 1 1 3353 3247 1 1 1 1720 1 5126 1 1 1 1 1 1 1 1 1 1 1 3632 1 1 1 1 3929 3627 1 1 1 1 3772 3601 2745 2389 1 1 1 1 1 1 2933 2555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9878 8396 1 1 1 1 3724 1 4957 5438 2779 1 21479 20665 1 1 1 1 2828 2944 1 1 4402 1 8581 8159 1 1 1 2996 1 1 99.9559 *99.9559* 99.9559@1.9768908 4274 4003 3610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 1 1 1 1 1 3167 1 3783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9559 *99.957* 99.957@0.7046936 3430 3455 1 1 5458 3680 7190 5259 1 1 2161 1 1 1 2792 3012 1 1 5979 3900 3458 1 3126 3708 2354 1 1 1 1 1 4722 6498 1 1 1 1 1 1 3137 4612 1 1 1 1 1 1 1 1 3489 1 3510 1 1 1 1 1 4231 1 1 1 1 1 2992 1 1 3868 1 1 1 1 1 1 1 1 1 1 1 1 4719 5053 1 4599 1 1 1271 4936 1 1 1920 3866 99.957 *99.9587* 99.9587@1.4321305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9587 *99.9592* 99.9592@0.709696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3387 1 1 1 1 1 99.9592 *100.0158* Succinic anhydride 8057 8571 7578 7812 5641 5890 5329 5529 4917 6178 7566 7836 6956 7616 6881 8139 5311 5876 9530 10694 10669 10799 5254 5506 6616 5949 10883 10677 7932 7383 6074 6542 7486 7294 5596 6462 7095 7061 7781 5940 8875 8813 9467 9468 6619 6656 7677 8941 7243 7406 6673 7075 6486 6774 9094 8031 8609 9269 8524 8507 6216 6062 9275 8904 8431 8596 8689 8214 5960 5596 17210 6487 9945 9443 6063 5779 10934 10970 15554 16472 10970 11937 8205 8780 12234 13739 13195 12709 7575 8286 100.0158 *100.0158* 100.0158@1.8559985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0158 *100.0159* 100.0159@1.9542158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0159 *100.0161* Succinic anhydride - 2.0484898 5793 6973 1 13647 10830 12713 9566 8401 12833 10043 1 1 4520 5472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6923 6802 9069 8156 5918 5321 6916 6672 3627 21269 4654 4557 1 1 3816 3604 9343 7633 4662 5055 1 1 1 1 1 3699 1 1 1 1 4674 6041 9165 1 5294 4338 3975 4240 1 1 1 20942 4870 4368 18619 5258 1 1 6939 7254 1 1 5541 4996 9504 10871 5388 4974 1 2899 100.0161 *100.0163* Succinic anhydride - 1.970287 3185 1 6088 1 3860 4585 2127 3264 1 3321 3025 4690 2885 2990 1 2066 1 1 6827 6374 8563 8177 1 1 1 1 4685 4273 2784 1 2388 3247 4246 3631 1 2032 4049 4181 14963 17446 1 5798 7031 4842 6483 1 8079 5051 7007 3132 7375 5066 3508 8817 3900 4700 7133 5638 4221 5050 5020 5373 4960 13319 6357 4947 4944 4731 6512 8680 20619 15440 4044 4366 1 1 5703 5719 9150 9199 9475 5435 5301 1 6398 7303 3507 3775 5036 4485 100.0163 *100.0422* 100.0422@1.5453308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0422 *100.0478* 100.0478@1.5472777 1 4733 3517 1 2022 1 1 1 5398 1 1 1 4582 4864 1 1 1 3975 1 1 1 2076 3194 1 1 1 4223 5033 1 1 1 1 1 1 4834 5638 1 1 1 1 7579 5185 3977 1 2774 1 6837 7668 1 1 1 1 1 1 5875 3844 1 1 1 1 5651 5287 1 1 3000 1 1 1 1 1 6134 1 7605 1 6651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0478 *100.0484* 100.0484@1.9663109 1 1 1 1 1 1 2957 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2453 1 1 1 1 1 2852 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0484 *100.0516* Glutaral (Glutaraldehyde) - 1.5232061 7867 9232 1 4265 1 7641 15957 14878 1 8992 13362 14008 5634 1 2532 1 5464 7696 23042 22089 14247 1 7930 7090 5927 6295 1 2180 7257 8296 26677 2691 15141 2221 9477 8037 13703 5019 12025 12938 1 2824 7862 3260 10462 11731 1 4020 7413 1 14701 14049 1 1 2168 1 22038 23426 8251 8254 4026 1 10694 14690 7334 10597 16908 1 16185 10688 14674 20430 2931 6726 13513 4896 8338 1 20039 22303 18402 16401 10085 5827 17248 1 34863 29857 11951 1 C12518 100.0516 *100.0518* 100.0518@1.4649032 1 1 1 1 1 1 1 17097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28717 1 14111 1 1 1 11705 1 4753 1 1 1 1 1 7522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3973 1 1 1 6270 1 1 1 1 1 1 1 1 13710 1 1 1 1 1 1 1 1 1 14809 1 1 1 1 100.0518 *100.0518* Glutaral (Glutaraldehyde) 1 1 1 1 6485 10368 17430 20511 14983 8400 1 26802 1 8721 1 1 8471 1 14411 16215 10626 15193 1 1 9876 9512 1 1 9295 2087 15879 15431 14351 8252 1 1 15209 16958 1 1 9097 1 1 1 13634 13508 1 1 11868 11661 11341 6936 1 1 1 1 17157 18552 21222 13589 1 7834 1 1 1 1 1 8465 1 1 1 1 1 1 1 7542 8791 11106 5833 5826 7972 10357 9656 5767 17587 13261 1 3777 29461 38964 C12518 100.0518 *100.0537* 100.0537@1.1701343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 100.0537 *100.9324* 100.9324@9.074866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.9324 *100.9326* 100.9326@1.9834597 1 7862 10907 6607 1 1 8557 7028 7055 5468 1 3758 1 7144 4279 1 7415 1 6523 4198 7239 1 1 8283 1 2283 1 3437 5488 1 8670 1 1 1 7999 7428 1 1 6208 4379 5180 5841 6765 6669 5597 6530 1 1 1 1 5667 1 4353 5200 1 6421 5708 6825 5840 1 7569 6383 9162 9412 1 8919 6473 9740 8991 8032 1 5801 1 8384 4550 1 1 8795 1 1 7700 1 5662 6168 9344 7749 5595 1 4908 4298 100.9326 *100.9326* 100.9326@2.0489419 1 1 1 2425 1 1 1 2045 1 1 1 1936 1 2324 1 3001 1 1 1 1 1 1 1 1 1 4167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 1 1 1 1 1 1 5171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.9326 *100.9326* 100.9326@5.2985134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 1 1 1 1 3340 1 1 1 1 1 6959 7845 7638 3582 1 1 1 5514 1 1 1 1 1 8653 1 5588 1 1 1 1 1 1 1 1 1 2151 1813 1 1 1 1 2198 1 3353 3294 1 1 1 1 3717 1 4944 4709 1 1 1 4760 7489 1 1 1 1 1 1 1 7195 1 1 1 1 1 5510 1 2771 100.9326 *100.9327* 100.9327@0.77198124 9277 9192 9061 6628 5727 5957 7605 7981 9172 4288 7183 7213 9721 9570 9791 8469 6271 6671 7217 6740 8860 8489 9630 8687 7199 9778 6885 5553 8697 5349 1 5455 1 1 5630 3517 5400 6096 5025 7195 6238 1 11361 9766 6171 1 1 5484 7496 7375 7586 7442 6760 7360 1 1 1 6082 6841 6023 1 1 1 1 1 1 6348 2904 1 5192 6726 5471 1 1 4706 1 1 5675 1 1 1 1 4878 6010 8651 8601 5744 1 6647 8859 100.9327 *100.9327* 100.9327@2.862482 1 1 1 2921 1 1 1 1 1 4079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 5543 1 1 1 1 1 1 1 4243 1 1 1 1 1 1 1 1 1 1 1 100.9327 *100.9327* 100.9327@6.1762466 1 1 1 1 1 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5097 1 1 1 1 5907 1 1 1 1 1 1 2357 1 4217 1 1 1 1 1 1 1 1 1 1 2481 1 1 1 4619 5294 1 1 1 1 1 1 1 1 8351 1 1 1 1 1 1 1 2524 1 1 1 1 1 1 1 1 1 1 3802 1 1 1 1 1 1 1 1 100.9327 *100.9327* 100.9327@5.3814173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3272 1 1 1 1 1 8258 1 1 100.9327 *100.9328* 100.9328@7.0004206 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3129 1 1 1 1 1 1 1 1 1 1 1 2311 1 1 1 1 1 1 1 1 1 4009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5479 1 1 1 1 1 1 1 1 100.9328 *100.9328* 100.9328@0.65484965 1 5752 3626 1 1 1 4489 1 1 1 1 1 6414 1 1 1 1 1 1 1 1 7019 5246 4759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5240 1 100.9328 *100.9329* 100.9329@1.0301808 6572 6528 5818 6717 5640 6104 10786 11294 1 1 3683 1 1 1 6314 1 6010 5863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3685 1 1 1 2689 5722 1 1 1 5533 6309 1 1 6262 1 1 4608 1 1 1 1 1 1 1 5263 5091 1 1 1 2455 1 1 1 2143 1 1 1 1 1 1 1 1 1 3840 1 1 1 1 1 1 3993 4323 1 1 1 4790 100.9329 *100.9329* 100.9329@5.935707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.9329 *100.933* 100.933@6.4129615 1 1 1 1 1 3694 1 1 1 1 1 1 1 3676 5983 1 1 1 5043 1 1 1 1 1 1 1 1 1 5506 1 5120 1 1 2640 1 8228 1 9524 1 1 1 1 1 1 1 7632 1 1 6061 8505 5684 1 9368 1 1 1 1 1 10236 1 1 1 1 1 1 1 1 1 1 1 10605 1 1 1 1 1 1 1 1 1 1 7464 1 1 1 1 1 1 1 1 100.933 *100.933* 100.933@3.3965514 1 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.933 *100.933* 100.933@2.9441175 1 1 1 4339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.933 *100.9331* 100.9331@3.8689537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3464 1 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.9331 *100.9331* 100.9331@1.2329342 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.9331 *101.0108* 101.0108@3.2463832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0108 *101.0111* 101.0111@2.0761914 24503 24616 1 1 1 1 1 1 5960 6419 20428 22006 1 1 1 1 1 1 9715 10165 6540 4487 5146 5804 1 1 1 1 1 1 1 1 1 1 21999 22326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4620 5957 1 1 1 1 1 1 1 1 1 1 1 1 9433 13434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27571 26425 101.0111 *101.0467* 101.0467@1.8920851 1 1 1 1 1 1 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0467 *101.0837* 101.0837@2.062807 1 1 3417 3585 3560 3734 10541 11129 1 1 1 1 1 1 1 1 1 1 1 3393 1 1 1 1 1 1 1 1 1 1 1 2714 4623 4839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 4797 5125 1 2946 1 1 4628 4269 2435 1 1 1 101.0837 *101.9401* 101.9401@1.9741832 28573 1 26061 20440 32819 23667 15855 39527 15971 25401 1 1 40453 28123 26850 24985 35549 45884 47521 42073 31986 28601 22735 23901 27849 1 1 52222 23334 1 1 38657 36435 24610 45595 35304 27931 61499 1 32319 56503 19565 50708 1 1 62371 31121 42954 33812 25114 35109 1 27459 27542 50154 13605 1 37570 28456 35126 37296 45566 52661 31916 1 49413 31813 1 43142 45776 54110 36049 1 5817 38055 1 29026 1 32878 35184 1 26095 1 41349 1 1 26696 40344 32421 27390 101.9401 *101.9401* 101.9401@1.9362729 1 1 1 1 1 1 24086 1 1 1 1 1 11765 28692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9401 *101.9402* 101.9402@0.85161895 9955 1 1 12633 1 1 1 1 1 1 1 1 1 1 1 15164 15099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10882 1 1 13983 1 12456 1 1 1 1 1 1 1 1 13793 1 1 12805 12469 1 1 1 11109 1 1 1 1 1 1 1 1 1 1 1 1 7814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9402 *101.9403* 101.9403@0.66373837 40570 16649 17297 20963 43136 26920 36119 38076 46253 1 30458 39291 48009 46845 33699 42940 34288 56756 37894 50651 54202 1 42470 44013 39299 42378 45269 47231 40645 46982 1 37628 42619 1 46924 38957 1 37049 38990 50785 1 33969 54838 56133 19411 30303 42534 41250 48412 49287 34082 44123 49797 51967 30819 37208 26023 29834 38105 18304 42798 43267 38815 42153 36950 1 42322 30770 1 40795 1 1 34625 42268 48313 1 40780 1 24968 33832 14524 38744 19692 38528 35845 39853 1 1 50666 37097 101.9403 *101.9403* 101.9403@0.96122897 22698 24602 19481 18437 21266 23754 1 16589 24289 1 15593 17520 1 23851 28922 27361 26981 25121 27824 24645 27799 1 23327 24831 24584 27996 26397 1 27834 25906 1 33008 22189 1 18723 17475 1 31995 29481 30597 35500 28946 32895 32863 29498 1 36166 36514 28755 35172 25338 29384 32811 33221 31555 30949 30000 30485 32363 34798 30310 31970 14704 12306 28808 1 1 32689 1 32180 31521 27077 29252 31302 33523 33184 32764 1 26003 28935 29505 29285 32174 26521 32509 29657 1 1 31062 33253 101.9403 *101.9403* 101.9403@1.1329061 1 1 11152 11503 1 1 1 8038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11786 42783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9403 *101.9403* 101.9403@2.8842247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15495 1 1 24064 1 1 1 1 1 1 1 1 1 1 1 23867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9403 *101.9403* 101.9403@1.4801604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9403 *101.9404* 101.9404@5.1551247 1 22079 47273 1 1 1 1 1 8756 1 8036 7356 1 16169 14448 1 1 10865 80143 22286 1 67895 1 19772 1 19543 1 1 1 29849 15529 67635 20051 61884 43909 1 1 24659 1 15606 1 23482 1 1 1 1 1 1 9249 1 31304 1 20802 19154 57220 18756 1 73892 25227 1 19842 1 1 1 1 1 20913 1 71912 1 20989 1 1 1 1 1 61503 1 1 1 1 54320 1 15991 22050 1 1 1 12663 18229 101.9404 *101.9404* 101.9404@5.3874254 1 1 1 11635 1 1 1 1 1 16724 1 7159 1 1 57743 33247 1 1 1 1 16044 1 1 41578 1 1 1 1 1 27225 65481 1 76489 1 1 1 1 1 1 1 1 73520 1 29062 1 1 1 1 1 23102 1 1 1 1 1 1 1 1 84433 1 1 1 1 1 1 1 1 1 1 1 35292 40169 1 1 1 1 1 1 35331 1 1 1 1 1 1 29578 1 1 1 1 101.9404 *101.9404* 101.9404@5.9905014 1 1 1 1 1 1 1 1 1 1 1 1 1 15754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8267 1 1 1 1 1 1 1 1 1 1 1 17286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9404 *101.9404* 101.9404@5.416469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9404 *101.9405* 101.9405@1.4549408 1 1 1 1 1 14173 1 19861 1 1 1 1 1 1 1 13149 1 1 1 1 1 1 1 25171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23031 1 1 1 1 1 1 1 1 1 1 101.9405 *101.9405* 101.9405@6.373289 1 1 1 1 1 39761 1 36625 24353 1 1 1 43319 33588 16417 1 1 1 31904 1 1 21653 1 1 1 1 1 1 1 1 48669 1 1 66774 1 41916 1 42359 1 1 1 1 1 1 1 47697 1 1 53980 38439 59248 1 1 38435 1 53715 1 1 1 1 1 1 1 1 1 1 58314 1 1 1 55497 1 1 1 1 1 1 1 1 1 1 60742 1 1 1 80317 1 38152 43359 1 101.9405 *101.9405* 101.9405@5.194051 1 23834 26231 29290 13487 24465 1 1 32329 11947 30490 23007 16417 50359 27822 30162 1 43096 40839 73809 16217 53876 1 41330 30119 53699 33968 54405 19620 50438 52066 64654 61093 33253 33052 15417 1 52062 1 33026 27359 55294 31174 39310 57796 14505 53817 76072 28060 33237 49945 30439 39468 33023 47578 48527 65370 35108 53386 59089 44481 1 1 1 41048 26716 11649 66513 39340 14956 44023 19443 13935 53413 1 1 49396 33682 19394 29336 1 33923 64961 50132 92549 37255 40367 44723 44397 37027 101.9405 *101.9405* 101.9405@6.742994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25010 1 1 1 1 1 1 1 1 1 1 38882 1 1 1 1 1 1 34092 1 101.9405 *101.9405* 101.9405@2.1263878 1 1 1 1 1 1 1 1 16759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9405 *101.9405* 101.9405@10.45167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9405 *101.9406* 101.9406@1.6428643 1 1 1 1 1 22970 1 22653 1 1 1 1 32769 13482 1 1 1 1 32722 33562 29618 50846 1 26184 1 1 1 1 1 1 53806 35041 1 1 1 1 29668 25870 42407 52657 1 1 1 1 1 1 44457 1 1 1 1 34319 23268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24058 1 1 1 1 1 1 1 1 1 1 25485 1 1 1 1 40476 49573 1 1 101.9406 *101.9406* 101.9406@6.55475 1 1 1 1 1 19088 1 20946 15381 1 1 1 18457 14766 18074 1 1 1 29045 1 1 18592 1 1 1 1 1 1 1 1 20899 1 1 37558 1 26288 1 23370 1 1 1 1 1 1 1 26542 1 1 31988 24435 1 1 1 27072 1 28866 1 1 1 1 1 1 1 1 1 1 26614 1 1 1 30784 1 1 1 1 1 1 1 1 1 1 20476 1 1 1 1 1 1 34788 1 101.9406 *101.9406* 101.9406@7.1922626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9406 *101.9407* 101.9407@5.9415326 1 1 1 1 1 26495 1 18204 10286 1 1 1 22322 18912 1 1 1 1 27608 1 1 37461 1 1 1 1 1 1 1 1 17132 1 1 37806 1 1 1 13983 1 1 1 1 1 1 1 16765 1 1 1 15723 1 1 1 12740 1 1 1 1 1 1 1 1 1 1 1 1 43227 1 1 1 49449 1 1 1 1 1 1 1 1 1 1 10094 1 1 1 1 1 1 1 1 101.9407 *101.9407* 101.9407@6.475561 1 1 1 1 1 7932 1 1 34069 1 1 1 14590 9667 45052 1 1 1 47388 1 1 24723 1 1 1 1 1 1 1 1 49583 1 1 1 1 1 1 33507 1 1 1 1 1 1 1 32030 1 1 1 53176 1 1 1 1 1 24603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11150 1 1 1 1 1 1 1 1 1 1 20663 1 1 1 1 1 1 15347 1 101.9407 *101.9407* 101.9407@5.9975986 1 1 1 1 1 1 1 1 7579 1 1 1 12195 28251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19726 1 1 1 1 1 1 1 36556 1 1 1 14277 1 1 1 6098 1 1 1 1 1 1 1 1 1 1 1 1 19163 1 1 1 26203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9407 *101.9407* 101.9407@7.375172 1 1 1 1 1 17239 1 1 21883 1 1 1 1 43610 35030 1 1 1 1 1 1 17776 1 1 1 1 1 1 1 1 27208 1 1 1 1 1 1 20158 1 1 1 1 1 1 1 12949 1 1 1 25460 1 1 1 19368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9407 *101.9441* 101.9441@0.6950229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.9441 *102.0093* 102.0093@1.2043414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0093 *102.0213* 102.0213@1.9692484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20087 1 1 14019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20038 1 102.0213 *102.0285* 102.0285@1.9751054 1 1 1 1 1 1 3970 3082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4715 1 1 1 1 1 102.0285 *102.0305* 102.0305@2.9539273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0305 *102.031* 102.031@3.4153576 1 1 1 1 1 1 5978 3374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.031 *102.0311* Acetoacetic acid 20173 27480 20193 20714 6547 10229 13655 18421 23461 18075 35243 46322 25426 24740 4566 11985 15705 17987 1 1 17203 10320 36521 33855 6255 4555 27273 26343 37590 37471 10950 64554 25225 20977 28928 29561 49040 48728 3903 12269 22716 25413 6360 7428 11679 14312 51454 51235 12399 22498 35547 30874 7072 7316 43400 45700 12592 10634 18664 7057 56190 62406 13510 9943 23460 21969 28302 16714 6872 14149 4049 1 44498 46944 37231 37329 51121 45990 15530 10737 1 6523 24289 16401 8841 10114 13525 2961 35375 32515 HMDB00060 C00164 102.0311 *102.0313* Acetoacetic acid - 1.094471 3243 3393 1 1 1 1 1 1 1 1 1 1 5455 5849 17053 16750 1 1 25380 25105 17541 16447 18717 19531 23181 24825 17844 17370 37629 38537 1 1 1 1 1 1 21561 20792 3195 2474 23450 23499 3214 3002 15884 16675 6394 6410 1 1 27713 29753 1 1 6428 6675 1 1 1 1 59738 57261 1 1 1 1 1 1 1 1 6511 6943 1 1 1 1 1 1 1 1 10262 10747 1 1 1 1 1 1 1 1 HMDB00060 C00164 102.0313 *102.0315* 102.0315@2.8747702 1 1 1 1 1 1 1 1 1 1 5909 1 1 1 1 1 1 1 1 1 1 6781 1 1 1 4222 1 1 1 1 61637 1 1 1 1 1 1 1 7104 4986 1 1 107094 95518 1 1 1 1824 1 1 5411 8940 1 1 1 1 1 1 1 4522 1 1 1 1 1 4350 1 9285 1 1 1 1 1 1 1 1 4891 5773 1 1 1 1 9081 7253 1 1 1 1 1 1 102.0315 *102.0632* 102.0632@1.9759456 1 1 1 1 1 5849 17499 1 1 1 4517 1 1 1 1 1 1 1 1 7585 1 1 1 1 1 1 1 1 1 2818 1 1 1 5049 1 2990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7771 1 1 1 1 1 1 1 1 1 1 1 1 4659 7699 7800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8442 1 1 1 1 1 1 10286 1 102.0632 *102.0672* 102.0672@1.4885403 1 1 1 1 1 1 1 2658 1 1 2242 3373 1 1 1 1 1 1 1 1 1 1 2213 1 1 1 1 1 1 1 2450 4207 1 1 1 1 2498 1 5499 4110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5470 4707 5486 6606 4845 4534 1 1 1 1 2860 2718 1 1 1 1 3232 3246 1 1 1 1 1 2790 7066 5265 1 1 102.0672 *102.0673* 102.0673@1.702302 1 1 1 1 1 1 24461 1 1 1 3125 1 1 1 1 1 1 1 19820 17540 1 1 1 4427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0673 *102.0676* 102.0676@2.3704216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 1 1 1 1 1 4502 1 1 1 102.0676 *102.9402* 102.9402@5.334275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 1 1 1 1 3621 1 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9402 *102.9404* 102.9404@6.0618424 1 1 1 1 1 1 1 1 1 1 1 1 4460 3979 1 1 1 1 2096 1 1 1846 1 2909 3140 1 1 1 1 1 1838 1 1 1987 1 1 1 1 1 1 6674 1 1 1 1 1 1 1 4619 4366 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4436 1 1 1 1 1796 1 102.9404 *102.9404* 102.9404@5.367154 1 1 1 1 1 1 1 1 1 5870 1 1 1 1 1 1 4456 3033 1 1 1 1 3040 1 1 1 1 1 1 2854 1 1 5894 5087 1 1 3019 4364 3156 6836 1 4350 1 1 1 1 1 1 1 3240 1 1 1 5693 1 1 1 3376 1 10558 1 1 1 1 1 1 1 1 1 2536 1 1 1 1 1 1 1 1 1 3621 1 3926 1 1 1 7552 1 1 2693 1 102.9404 *102.9404* 102.9404@1.9692817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9404 *102.9404* 102.9404@3.7878675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4322 1 1 1 1 1 1 1 1 1 1 102.9404 *102.9407* 102.9407@6.4242525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9407 *102.9407* 102.9407@7.492815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9407 *102.9409* 102.9409@5.981504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9409 *102.9413* 102.9413@6.770986 1 1 1 1 1 1684 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.9413 *103.0624* 103.0624@2.0660377 1 1 1 1 1 1 6111 5399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0624 *103.0633* 103.0633@2.868976 1 1 1 1 1 1 4870 4440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0633 *103.9548* 103.9548@1.1224364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4144 3375 4827 1 1 1 1 1 1 1 1 1 1 1 1 3674 1 1 2708 5090 1 1 1 1 3409 3372 1 1 7017 2573 1 1 4752 3457 6125 6980 4992 1 6512 4465 1 6162 3689 1 4705 1 4138 3388 3109 1 1 1 3890 2628 1 1 103.9548 *103.9548* 103.9548@1.1665053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1669 1 1 1 1566 1 1 1 1 1 1 1 1 1 103.9548 *103.9549* 103.9549@13.0763645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9549 *103.9552* 103.9552@1.2160965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6777 5613 3940 4624 4415 4629 5697 5843 6055 1 9274 4938 3718 5226 3362 5262 3821 6096 6368 5914 1 4852 6009 5810 8826 6758 6218 6095 7141 6939 6067 6868 6443 7358 4624 3980 5213 5055 6965 6395 2590 5888 5941 5536 6505 6222 6484 6026 7689 5237 6231 7697 8264 6258 8205 7766 5173 4977 3687 5213 103.9552 *103.9552* 103.9552@13.0997715 1 1 1 1 1 1 1 1 1 1 1 1708 1 1780 1 1 2103 1 1 1 1 1837 1 1 1 1 1 1 2753 1 1 1 1 1 1 3646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9552 *104.0465* a-hydroxybutyrate - 1.9751152 4067 4259 2285 2565 4909 4894 9205 14371 3252 2670 4853 4941 2541 1 1 1 1 2072 5268 4795 8065 10709 2364 1 2946 3356 3616 3602 4919 4513 5731 7021 5953 5357 1 1 4356 5093 14110 16517 2695 1 3372 3872 10856 11003 7396 5924 4571 3809 8312 7737 3689 2812 4047 3690 12881 12318 7911 7681 4370 3978 4238 4562 5716 5429 3922 3692 3362 4098 2855 2810 3278 3458 4605 5458 7201 6463 19280 17217 8538 7047 8186 8533 8425 8528 14208 18654 4695 5208 104.0465 *104.0469* 104.0469@3.0810516 1 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 1 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 8805 1 1 1 1 1 1 1 1 1 1 1 1440 1 1 1 1 1 1 1 1 104.0469 *104.0469* 104.0469@1.5774487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10069 1 14107 1 1 1 1 1 4126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125276 73863 1 27436 104.0469 *104.047* alpha-hydroxyisobutyrate 37701 37412 49475 49164 68996 73104 48105 48705 39029 40276 42894 44342 43411 41336 38569 39164 33889 34014 85193 85133 51202 50538 42127 43472 69412 72191 69796 69486 69134 70504 41669 41551 50819 51596 20538 21592 58856 61635 54394 52454 38172 38133 63890 64182 82386 80556 54885 57147 89087 89453 68951 67718 72126 71613 51687 49035 88915 85992 58334 59820 74510 76268 80038 82431 71296 67697 73988 73317 54164 13242 32244 33416 62778 62610 45974 44538 71477 70298 92114 98622 107141 107953 123499 123029 89740 88783 73478 70801 42852 15196 HMDB00729 104.047 *104.047* 104.047@2.8567922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22198 1 1 1 1 1 1 31889 1 1 1 1 1 1 1 1 1 1 1 16063 1 1 24480 1 1 25481 1 1 1 1 1 1 20433 1 28727 1 1 1 1 1 1 1 1 104.047 *104.0471* a-hydroxybutyrate 106693 106825 43992 43768 120289 127280 165037 168591 46328 46764 105203 107172 110517 109868 57877 58342 55022 57276 115543 116319 295982 299196 69445 70317 100761 99445 103765 101660 286970 285969 294439 296429 202464 204747 31266 31040 196543 195214 662992 725569 68638 68561 92678 95701 428260 424675 216740 216272 44315 44408 200604 199832 80131 79828 72219 71858 308752 309522 241159 236547 44044 45961 93721 94824 109279 111825 110741 107361 68456 69345 62142 64774 106510 108471 315132 318324 154425 154797 460740 463449 160586 158884 134163 135237 159657 153972 1391615 1301586 67887 63905 104.0471 *104.0471* alpha-hydroxyisobutyrate - 2.909506 17319 1 103548 99003 1 52570 138603 130642 86251 87893 146952 156195 129018 130781 83733 94601 137029 144048 4749 8581 34834 43183 160798 157650 14824 98705 8404 1 10816 34673 214514 218675 14826 16938 126241 117097 1 9664 1 1 23409 15669 222784 182385 36600 28854 170594 20982 133153 136632 322806 313856 63386 142382 18686 18524 31181 1 56813 32071 147165 169586 13318 1 28660 11949 7187 30313 27748 8352 17451 1 8382 1 201707 201972 308313 294071 1 21409 1 2138 381390 395157 22217 1 33408 1 1251 34426 HMDB00729 104.0471 *104.0472* 104.0472@1.5867574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141796 1 1 104.0472 *104.0473* alpha-hydroxyisobutyrate - 2.6837463 16249 15941 1 1 1 10863 1 1 1 1 1 1 1 1 1 1 1 1 63116 63373 43571 46905 1 1 82721 1 38843 37064 17382 18585 1 1 4790 5234 1 1 26571 26530 71111 66807 4033 3315 1 1 31935 31397 1 147362 1 1 1 1 1 1 10061 52243 27572 29115 35123 37176 44508 1 11591 15029 22146 22910 32079 31238 8172 6750 26406 23326 48582 1 1 1 1 1 56063 67400 73832 73307 1 1 28670 28085 42810 44707 98343 80879 HMDB00729 104.0473 *104.0578* 104.0578@5.6329484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3150 1 1 1 1 1 1 104.0578 *104.1321* 104.1321@1.535293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4807 4762 1 1 1 1 1 1 4612 4696 4962 5079 3127 3069 1 1 2792 3171 17338 17447 1 1 1 1 8419 7977 3208 2832 1 1 2068 2775 1 1 1 1 4708 5149 3111 3279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5324 5521 1 1 9129 9092 1 1 1 1 1 1 1 1 1 1 104.1321 *104.1325* 104.1325@2.8761356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2927 4713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3660 3613 1 1 1 1 5387 5900 1 1 1 1 1 1 104.1325 *104.9271* 104.9271@0.9070964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3440 1 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 104.9271 *104.9831* 104.9831@5.190466 1 1 1 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9831 *104.9834* 104.9834@4.298165 1 4651 1 1 1 1 1 2532 8670 1 1 1 5173 3812 1 1 4050 1 4589 4273 1 1 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 5258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9834 *104.9834* 104.9834@6.307989 1 3645 1 1 1 5951 1 6526 5440 1 1 6706 10000 10159 6593 2796 6289 5910 5659 5357 1 3882 1 3956 1 3381 4062 1690 4350 4747 4265 1 4822 4032 5089 6067 6436 4660 5515 1 4033 1 4824 3124 4096 4153 1913 2107 1 3282 3948 1 1 2756 4110 1 1 4016 3044 1 1 1 1 1 3751 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2613 1 1 1 1 1 1 1 104.9834 *104.9834* 104.9834@6.497617 5631 6460 5342 5995 5744 6266 4893 5319 5179 5275 6382 6613 2080 1972 4737 7482 2977 2646 4822 6358 7117 2338 5184 5120 6022 5318 4576 5113 3473 5194 4000 4945 4467 2377 5685 5469 7279 3993 2700 4975 4870 5546 4283 4640 1812 3793 3773 6894 3965 3543 1 1 1893 4736 8041 4276 1477 1 1 3432 1835 1 2996 1 1865 5634 1 1 1 8045 1 1 1 1 1 1 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 104.9834 *104.9835* 104.9835@4.1955695 6211 5751 5073 1 1 1 4562 4473 3544 1 4629 1898 7892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2259 3519 5244 1 1 1 1 2173 1 4508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9835 *104.9835* 104.9835@5.97032 1 1 1 1 1 1 1 8227 1 1 1 1 1 10900 4396 1 4992 1 1 1 1 1 1 1 1 1470 1 1 1 1 4828 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9835 *104.9835* 104.9835@6.123688 1 1 1 1 1 1 1 5927 1 1 1 1 1 5506 3174 1 1 1 1 3720 1 1 1 1811 1 1 1 1 1 1 2330 1 1 1 2417 9031 5519 1 5260 1 1 1 1 2067 1 1 1 1 1 5499 1 2790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9835 *104.9835* 104.9835@6.6822457 1 1 1 1 1 4588 1 1 1 1 1 1 1 1 1 1 1 1 8559 1 1 3950 1 1 1 1 1 1 1 1 1 1 5207 7067 3415 11011 1 8230 8929 1 1 1 1 1 1 1 5750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9835 *104.9836* 104.9836@4.254996 1 1 2890 1 1 1 1 3981 1 1 1 1 1 1 1 1 1 1 1 5949 1 1 11726 1 1 1 1 1 1 7477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9836 *104.9836* 104.9836@5.3402042 4394 6664 1 1 1 1 1 3777 5645 6914 2170 1 2898 7025 3050 1 4470 2502 3861 1 1 1 3230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9836 *104.9836* 104.9836@6.385439 1 1 1 1 1 2661 1 2549 2994 1 1 1 1 6479 1646 1 1 1 1 1958 1 5325 1 3482 1 1 1 1 2411 1 4183 1 3467 1 1 5577 4130 4543 4620 10820 1 1 1 2197 1 1 3981 3761 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9836 *104.9836* 104.9836@7.1259885 1 1 1 1 1 3730 1 1 5540 1 1 1 1 1 7213 1 1 1 4251 1 1 2593 1 3190 1 1 1 1 1 1 1 1 1 1 1 2039 1 3395 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9836 *104.9836* 104.9836@4.7288165 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9836 *104.9837* 104.9837@7.468176 1 1 2416 1 1 1740 1 1 1 1 1 1 1 1 3711 1 1 1 3242 1 1 4904 1 2931 1 1 6495 1 1 1 1 1 1 7099 1 1 1 2201 1 1 1 1 1 1 5242 1 2482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9837 *104.9839* 104.9839@6.7852516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9839 *105.0256* 105.0256@1.1703612 1 1 1 1 1 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0256 *105.0422* L-Serine 1 1 1 1 1 1 1 1 4880 5335 5814 5615 6689 6413 6154 6599 1 1 6148 8474 4293 5195 5615 5629 8611 7456 4921 5441 10423 11235 9889 10124 1 1 1 1 8647 7979 5122 4646 7243 7392 6419 6714 5557 5435 5848 5048 7776 7678 9173 8448 9514 9839 7403 8564 8218 8743 30337 27731 5346 6332 7353 7441 9201 8846 12468 10752 7197 7299 14328 13888 5661 4868 4220 6215 5771 6157 5148 1 6532 6497 1 4387 5553 4564 11193 10330 5224 5281 C00065 105.0422 *105.0422* 105.0422@6.591252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0422 *106.0088* 106.0088@2.0407076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4156 6108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0088 *106.0235* 106.0235@1.965852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0235 *106.0253* 106.0253@1.9560566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12789 1 1 1 18239 22558 30870 29085 1 21214 23843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61094 65891 1 1 1 1 47337 1 1 1 1 29957 24882 27503 1 24416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35932 41916 106.0253 *106.0412* C7 H6 O 4426 4449 1 1 4767 5144 8473 8942 5134 4749 6106 5632 3868 4149 4189 3939 4239 4016 6791 7231 4596 4872 3970 3906 6154 5922 3712 3644 4384 4311 4114 4220 5747 5943 4494 4939 1 1 3425 3839 1 1 3272 1 6228 6746 1 1 3343 3870 6666 7182 1 1 4071 3622 6041 6557 1 1 1 1 1 1 3939 3613 5575 5459 1 1 4393 5502 3223 3223 1 1 4888 5093 4778 5072 3419 3209 1 1 6198 6207 1 1 8469 8544 106.0412 *106.0413* 106.0413@1.1460816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 106.0413 *106.9665* 106.9665@2.904978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.9665 *106.9669* 106.9669@2.0122094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.9669 *106.967* 106.967@1.1642573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 1 5557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.967 *106.967* 106.967@0.89720124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 3543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.967 *106.9671* 106.9671@0.6646701 1 3938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8701 1 1 1 1 1 1 1 1 1 5005 1 1 1 1 1 3915 1 1 1 1 1 1 3078 1 1 1 1 1 4381 1 7644 1 1 1 1 5050 1 4406 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 1 1 1 6653 106.9671 *107.0476* 107.0476@0.82335263 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0476 *107.0485* 107.0485@1.2425426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0485 *107.0486* C5 H5 N3 9273 9417 6137 5740 8905 9180 16335 16900 9842 9665 11670 12404 8164 7946 9203 8513 8649 8278 15822 14821 9562 9488 7988 8032 11976 11705 7862 7905 8453 7608 8442 9082 11261 11373 9296 9058 5911 5694 7330 6982 4565 4313 6627 6966 14044 13286 1 1 7434 7438 14492 14246 3315 1 8225 8358 12870 12876 3697 1 1 1 4567 4585 7304 6826 11040 10649 7419 6654 9758 9741 8427 6517 5792 5360 9813 9731 9435 10113 7038 6968 6063 4202 12034 13525 3432 1 16137 16408 107.0486 *107.0493* 107.0493@1.1430233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26958 27000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0493 *107.0729* 107.0729@3.4608252 1 1 1 1 1 1 9010 8818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7738 8562 1 1 1 1 4188 4868 1 1 1 1 107.0729 *107.9875* 107.9875@2.3555748 1 1 1 1 1 1 6026 6148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2704 1 1 1 1 1 107.9875 *108.0319* 108.0319@0.6565909 1 1 1 1 16596 10768 11413 1 1 1 24979 1 1 1 1 1 17774 1 1 1 14088 1 1 1 26092 26813 28173 1 1 1 1 1 20198 13663 1 1 1 1 28352 1 1 1 1 1 1 25905 1 1 9513 1 30297 23454 1 1 29508 30832 1 1 1 1 1 1 26281 1 20252 22071 1 1 1 1 1 1 1 1 1 35779 1 1 30571 33075 1 1 1 1 1 22696 1 23440 1 34274 108.0319 *108.0319* 108.0319@2.8316553 1 1 1 1 1 1 5377 1 1 1 1 1 1 4255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6352 1 1 1 1 1 108.0319 *108.0319* 108.0319@2.0387404 1 1 1 1 1 1 1 1 1 1 1 1 17272 1 3829 1 1 1 3438 1 1 13066 1 1 1 1 1 1 1 1 9809 1 1 10531 1 3477 1 1 1 1 1 1 1 1 1 8713 1 5687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5594 1 1 1 1 1 1 1 1 1 1 4973 1 1 1 1 1 1 1 1 108.0319 *108.032* 108.032@1.9328512 1 1 1 1 1 3297 1 1 4177 1 1 1 1 1 8778 1 1 1 4284 6567 1 9274 1 1 1 1 1 1 1 1 8045 1 1 3070 1 4798 1 8964 1 1 1 1 1 1 1 2792 1 1 1 1 1 1 1 1 1 5928 1 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1732 1 7355 1 1 1 1 7342 1 108.032 *108.032* 108.032@1.987956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 108.032 *108.0321* 108.0321@1.6184278 1 1 1 1 1 2871 1 1 1 1 1 1 2798 6481 1563 1 1 1 18180 1 1 6070 1 1 1 1 1 1 1 1 2398 1 1 6564 1 1605 1 1 1 1 1 1 1 1 1 4330 1 1 3390 3919 1 1 1 1 1 6288 1 1 1 1 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6176 1 1 1 1 1 1 1 1 108.0321 *108.0321* 108.0321@1.6017462 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 3599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3024 1 1 4587 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 2004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0321 *108.0322* 108.0322@2.908884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3233 20083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9974 1 1 1 1 1 108.0322 *108.0322* 108.0322@2.0783203 1 4972 1 1 1 3016 1 1 7836 1 1 1 1 1 2373 1 1 1 4893 7429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9103 1 1 1 1 1 1 1 1 1 4054 1 1 9159 8024 1 1 1 5293 1 1 1 1 1 1 1 1 1 1 1 1 5648 1 1 12074 1 1 1 1 1 1 1 1 1 1 1 4713 1 1 1 1 1 1 1 1 108.0322 *108.0322* 108.0322@1.400731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0322 *108.0332* 108.0332@0.981629 1 1 1 1 1 1 1 1 1 1 1 1 8103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12932 1 10661 1 1 1 1 39288 1 1 1 1 16456 18725 5539 5029 1 1 11920 8700 1 1 1 1 1 1 1 29590 15723 1 1 1 1 1 1 1 14823 1 1 11921 1 1 1 1 1 1 1 22788 5867 53913 1 1 1 22651 1 6943 108.0332 *108.0339* 108.0339@1.1060065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 1 1 1 1 1 1 1 1 1 1 5221 14899 1 1 1 1 1 4939 1 108.0339 *108.0345* 108.0345@1.3350602 1 1 1 1 1 8434 1 1 7395 1 1 1 2786 1 4547 1 1 1 3431 1 1 4531 1 1 1 1 1 1 1 1 1 1 1 3581 1 1 1 1 1 1 1 1 1 1 1 5316 1 1 1 3916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7177 1 1 1 3461 1 1 1 1 1 1 1 1 1 1 3258 1 1 1 1 1 1 2299 1 108.0345 *108.0347* 108.0347@1.2663206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3456 1 1 1 4837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 108.0347 *108.0361* C4 H9 Cl O 18937 20734 23653 13794 23045 7562 1 4559 24072 24432 6745 19093 14426 11153 17440 26168 1 27057 23643 1 1 1 27115 5449 1 13334 1 19700 24381 1 11814 1 25339 15689 14507 22062 1 13757 29576 1 27506 6831 27834 1 30521 17268 1 1 1 9736 1 1 1 1 32516 20927 1 26110 1 1 1 1 4569 28358 1 69951 2830 1 20518 1 22554 21459 9393 8419 1 31814 1 1 30130 30556 45037 2305 1 1 14162 11054 18239 1 27382 34238 108.0361 *108.0365* 108.0365@1.2867966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 108.0365 *108.0397* 108.0397@1.2927886 1 1 1 1 1 1 1 10123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8793 6000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0397 *108.0411* 108.0411@0.93698215 1 1 1 1 1 1 1 1445 1 1 17799 6069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26938 1 1 1 8151 1 108.0411 *108.0412* 108.0412@0.8950034 1 1 1 1 1 15190 1 1 1 1 1 1 1 1 8545 1 1 1 1 27117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7162 1 1 1 1 1 1 1 1 1 1 49950 20956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0412 *108.0448* 108.0448@0.847649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48942 1 1 1 108.0448 *108.0469* 108.0469@1.160463 1 1 1 1 1 1 1 2490 1 1 1 1 3725 4154 1 1 1 1 1 1 1 1 1 1 1 9990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0469 *108.05* 108.05@0.95169395 1 1 1 1 1 1 1 17734 1 1 1 1 1 1 1 1 1 1 3693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.05 *108.0504* 108.0504@1.1682087 8726 9259 9006 1 6201 7000 1 1 5282 1 5617 6015 1 1 7738 7778 1 1 1 1 1 1 7723 9374 6995 1 1 1 1 1 6161 8441 1 1 11566 1 10039 10153 6541 6189 9712 8681 1 1 8766 8728 9597 10247 7849 11000 10176 9376 1 1 1 1 1 1 10519 11244 10216 11572 1 1 1 1 7724 1 7900 8697 11055 10419 1 1 1 1 10794 11201 1 1 15362 1 1 1 1 1 1 1 1 1 108.0504 *108.0532* 108.0532@1.2495499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0532 *108.0543* 108.0543@0.80184954 1 1 1 1 1 1 124182 114949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12873 13327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0543 *108.0557* 108.0557@1.1670299 1 1 1 8861 1 1 27911 32203 1 1 1 1 1 1 1 1 1 1 15375 14505 1 1 1 1 1 1 1 1 1 1 1 1 12649 12893 1 10004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15479 14931 1 1 1 1 1 1 358590 357287 1 1 1 1 1 1 1 1 1 1 1 1 38190 39000 1 15266 17976 1 27768 27507 1 1 21443 22264 108.0557 *108.056* 108.056@0.82218456 63560 1 1 1 1 1 1 1 1 1 1 1 74954 63890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.056 *108.0574* Benzyl alcohol 567887 620232 362033 356752 713002 702818 1128854 1113730 666955 678018 787213 780514 476497 485106 522381 523657 511092 512319 931419 937038 612899 605070 489322 494059 752546 762009 480169 481005 508605 508942 523045 507338 699697 699800 537349 532140 322482 324439 433478 426877 259384 259665 401316 392809 809804 805654 25170 19016 417645 414355 891782 892944 156624 174153 462634 459002 781768 798161 219886 213553 1 1 231888 236981 407340 408782 656434 649810 368384 372581 563922 562402 353610 354873 259618 273699 564062 560011 564520 587358 370244 373806 257068 257364 756555 752273 150870 163284 936780 940698 108.0574 *108.1448* 108.1448@1.1434411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.1448 *108.1452* 108.1452@0.7668454 13297 12804 5939 5979 15907 15736 1 1 14468 14683 17948 16874 9792 9647 9862 9796 9443 9932 1 1 12074 12149 9076 9008 17302 16750 8817 8790 9039 9631 10331 1 15951 16093 1 1 1 4757 7365 8106 3434 3703 6503 6695 19353 18862 1 1 1 1 1 1 1 1 8110 8091 16655 17003 2870 3032 1 1 3115 2755 7172 6135 13922 13322 5731 6270 11146 10939 5575 5495 3965 4012 10635 11186 10526 11756 6079 5846 3216 1 17682 17197 1 1 1 1 108.1452 *109.0281* 109.0281@1.8953424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 1 1 1 1 1 1 1 1 1 1 1 1 6825 6094 1 1 1 1 1 1 1 3118 3402 14174 1 1 1 1 1 1 1 1 109.0281 *109.0286* C3 H8 Cl N O - 1.9665561 4243 5870 1 3049 1 1 5251 5367 3211 1 11400 12334 1 1 1 1 1 1 3580 2495 1 6968 3155 2772 1 1 1 1 1 1 1 1 9879 10669 5344 6178 4788 3607 4233 12301 1 2780 1984 2973 11690 4513 4827 3656 1 3110 3788 3313 1 1 1 1 10094 15070 4793 4927 1 3658 1 1 7192 11189 3598 1 1 1 5108 5604 1 3098 1 1 4569 4215 4892 5187 5236 4550 3357 3136 10976 11640 2886 1 4710 4946 109.0286 *109.0294* C3 H8 Cl N O 2408 1 3405 1788 2685 2941 5128 4307 1 3368 2780 2485 4571 3597 1 1768 2285 3155 3482 3587 1 1 1 3627 1 1 1 1 2786 2634 2312 1 2785 3265 1 2158 1 3571 1 1 4653 3883 1 1 2223 2341 1 2697 2135 2137 1 1 1 1 1 1 2751 2786 2158 2870 1 3651 1 1 2799 3137 3558 4295 2699 4004 2809 3662 2986 4631 1 2082 1 1 1899 2357 3859 2440 1 1 4999 4945 1 1 4340 3679 109.0294 *109.0298* 109.0298@1.0641665 1 1 1 1 1 1 1 1 1 1 1 5840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6324 1 3523 3670 1 1 1 1 1 14690 2928 1 1 1 1 1 1 1 1 1 1 1 7915 9018 1 1 1 1 1 9582 6379 4611 1 3221 6389 1 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 7416 1 1 1 1 1 1 9497 109.0298 *109.0299* 109.0299@1.6276135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6326 6735 1 1 1 1 109.0299 *109.0345* 109.0345@0.7219048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0345 *109.0511* 109.0511@2.8449302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7464 15128 1 1 1 1 1 1 1 1 1 1 109.0511 *109.0522* 109.0522@0.8710681 1 1 1 1 1 1 1 1 1 1 4525 1 1 4588 1 1 1 1 11967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3423 1 1 1 1 1 1 1 1 1 1 3336 1 6272 7499 1 1 7770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0522 *109.0526* 109.0526@0.8767017 1 1 1 1 1 11263 1 1 21644 22707 1 6303 1 3792 1 1 5541 1 7118 19122 1 1 1 9653 1 1 1 1 1 1 1 1 1 1 4399 5100 1 1 1 1 13848 12970 1 1 1 1 1 1 5384 6057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10599 18925 7178 7923 1 1 1 1 15741 15383 1 1 1 1 1 1 1 1 1 1 1 3955 1 1 1 1 109.0526 *110.0111* 110.0111@0.6652367 1 1 1 1 1 1 1 1 1 1 1 1 3209 4050 1 1 1 1 1 1 1 5048 1 1 1 1 3414 1 1 5097 1 1 1 2256 1 1 3428 1 1 1 3520 1 1 2575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0111 *110.0111* 110.0111@1.9961814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0111 *110.0112* 110.0112@2.028622 1 1 1 1 1 4370 1 10972 6326 1 1 1 9853 7270 8266 1 1 1 2854 1 1 5785 1 1 1 1 1 1 1 1 3315 1980 1 1 2535 1 1 1 1 1 1 1 1 1 1 4667 1 1 1 3597 4026 3695 4257 3281 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0112 *110.0113* 110.0113@1.4143687 1 1 1 1 1 1 1 2878 1 1 1 1 2820 3319 1 1 1 1 1 1 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0113 *110.0113* 110.0113@2.8350995 1 1 1 1 1 6276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0113 *110.0113* 110.0113@2.906326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0113 *110.0114* 110.0114@2.7847145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 2468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0114 *110.0116* 110.0116@1.4695766 1 1 1 1 1 1 1 3075 1 1 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0116 *110.0116* 110.0116@1.6274093 1 1 1 1 1 1 1 4771 1 1 1 1 9045 3760 4678 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0116 *110.0117* 110.0117@1.3066425 1 1 1 1 1 1 1 9921 1 1 1 1 1 5724 2884 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0117 *110.0118* 110.0118@1.2505662 1 1 1 1 1 1 1 4080 1 1 1 1 6058 2381 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2547 1 1 1 1 1 1 1 1 1 5868 1 1 1 1 1 1 1 1 1 3915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0118 *110.0128* 110.0128@1.9421904 1 1 1 1 1 7601 1 1 1 1 1 1 1 1 8560 1 1 1 4936 1 1 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0128 *110.0134* 110.0134@1.1276008 1 1 1 1 1 8859 1 3298 3448 1 1 1 9146 1 4718 1 1 1 3134 1 1 6459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0134 *110.0142* 110.0142@0.6742417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0142 *110.0145* 110.0145@0.9940535 1 1 1 1 1 20143 1 3269 20211 1 1 1 3795 11754 8591 1 1 1 3951 1 1 1 1 1 1 3297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0145 *110.0168* 110.0168@3.567297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5415 6273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0168 *110.0188* 110.0188@0.88623995 1 1 1 1 1 1 1 1 7544 1 1 1 1 1 1 1 1 9636 5092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0188 *110.0259* 110.0259@0.9171168 1 1 1 1 1 1 1 34226 1 1 1 1 2503 1 9959 1 1 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 1 5815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9143 1 1 1 1 1 1 1 1 4247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0259 *110.0325* 110.0325@0.9365686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8721 1 1 1 1 1 1 9634 9500 1 1 1 1 5323 1 1 1 1 1 1 1 1 1 14608 20509 1 1 1 5416 1 5528 1 1 1 1 1 1 1 1 2941 1 1 1 1 1 1766 1 5473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0325 *110.0361* 110.0361@0.9298493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4371 15623 17826 1 1 22612 3628 1 1 16127 1 1 1 10009 13424 1 1 1 20388 9893 1 1 1 1 1 110.0361 *110.0361* 110.0361@0.9639269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10390 7019 1 1 1 1 1 1 1 1 1 1 110.0361 *110.0362* Pyrocatechol 41998 39460 57480 58426 95160 108065 154649 148684 98494 100204 103966 88364 98749 101851 46800 45822 61915 63518 112183 108158 37142 36223 107949 110028 36591 34148 26051 31656 78663 73344 61214 61960 96280 86509 58957 65168 51031 49702 13810 13518 154270 158584 35989 35693 64415 66646 72090 74930 86071 79014 35997 37384 45528 47109 47857 45854 65678 67324 53250 61791 85051 86901 34682 36326 82252 82782 108181 104739 56846 56172 95755 94353 68103 67283 73565 74105 43999 42721 72892 74921 90855 90630 33128 34158 166315 167885 29669 31932 68234 69439 HMDB00957 C00090 110.0362 *110.0363* Pyrocatechol - 0.85550505 1 1 1 1 1 1 42962 41311 1 1 1 1 1 1 1 1 1 1 13651 11296 1 1 16058 17015 1 1 11762 23028 1 1 1 19469 23291 11774 57448 71233 12531 13615 17879 14796 29866 32734 1 1 69425 85891 1 29494 36639 21892 21958 19833 18257 19316 16302 11125 10647 1 8051 13737 16129 14045 11539 10809 43033 40220 8261 2952 7015 12878 28597 45301 2607 6011 3670 15750 7294 6700 46982 52428 21512 23652 46539 32856 38575 53895 1 19134 28201 20929 HMDB00957 C00090 110.0363 *110.0689* 110.0689@1.1380486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4017 1 1 1 110.0689 *110.0713* 110.0713@1.8217845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0713 *110.0725* 110.0725@1.1344864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22167 13411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24323 24988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4257 1 1 110.0725 *110.125* 110.125@0.722031 1 1 1 1 1 1 2649 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.125 *111.0318* Pyrrole-2-carboxylic acid 10320 6858 7655 6776 6958 6619 7488 7951 5436 5498 8049 7606 6701 7045 6954 6359 5228 6042 8747 9218 8048 9021 6275 6021 7013 8110 7455 6801 6572 6368 8602 8266 5839 5874 4936 6277 8091 10058 9556 8164 5976 5574 10365 8760 7273 6907 5389 7459 6778 6159 6442 6711 6912 6288 9986 9462 8764 8294 9171 10049 4656 5265 6635 6670 7583 7927 6823 9230 7809 6132 9972 11034 7979 7883 7436 7535 10262 10774 7516 7362 11059 11466 11759 12294 9911 10221 9993 8547 6466 6574 HMDB04230 C05942 111.0318 *111.0327* 111.0327@2.0778751 1 1 1 1 1 1 8602 9563 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 4152 1 5237 4277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3138 1 1 1 1 1 1 1 4081 4438 1 1 1 1 1 3061 5144 2150 1 1 1 1 12273 1 1 1 1 1 1 1 6751 7100 2930 1 1 1 4883 1 1 1 10797 11577 111.0327 *111.0364* 111.0364@1.970357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 3525 1 1 1 1 111.0364 *111.0407* 111.0407@1.349334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3344 2309 1 1 1 1 111.0407 *111.9829* C4 H Cl N2 45684 47101 58012 57557 48557 49299 37904 36849 45747 48813 40591 38524 54994 53651 56277 57227 54441 53565 51536 51801 54348 55577 45597 46243 59597 62750 63960 63094 48049 48654 36451 36906 22648 22515 27023 26882 28680 32683 33522 32985 30408 30246 35711 33781 32995 32238 33302 34704 33615 34915 27598 30186 37770 37953 36232 37687 28954 28746 29587 29917 38264 38018 26869 27255 24989 26294 37526 36940 37444 37233 35406 36321 31746 32553 36434 36117 29553 30809 26908 27100 33238 32420 31587 31886 30690 29436 44110 45876 27842 28171 111.9829 *111.9856* 111.9856@1.0462984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.9856 *112.0148* 112.0148@0.65814686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6646 1 1 1 1 1 1 4424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0148 *112.0182* 112.0182@2.0062845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12766 12563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0182 *112.0197* 112.0197@1.7162606 1 1 1 1 1 4478 1 1 1 1 1 3335 1 1 1 1 1 1 1 9091 1 1 4181 3159 1 1 1 1 1 1 5659 1 4190 5134 1 1 1 6691 8946 1 1 1 1 1 5245 1 1 4666 7171 1 8138 10982 4795 1 1 1 1 7239 1 1 1 3960 5290 4653 1 8918 1 4113 4202 1 1 5065 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0197 *112.0206* 112.0206@2.8476005 1 1 1 1 1 1 3466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5118 1 1 1 1 1 1 112.0206 *112.0208* 112.0208@1.6933056 1 1 6667 1 4911 1 1 7580 1 6844 8480 5883 10498 8493 8279 6037 4733 5938 12892 1 9045 8411 1 1 7395 6119 3645 4211 3288 7535 5017 10194 1 1 5510 1 6477 1 1 9709 1 1 1 7862 1 4449 1 1 1 10493 5472 5191 1 4711 5077 8995 9179 1 1 8408 5958 1 1 1 5191 5025 4316 1 1 1 9144 1 1 4837 9182 5987 6178 7401 6543 6093 8515 7737 5305 1 11461 10708 12895 5730 7808 4984 112.0208 *112.0212* 112.0212@1.9758548 1 1 5693 4829 1 4922 1 1 6978 4980 1 4895 1 1 5635 1 1 1 2327 1 1 1 1 1 1 3739 1 1 3435 1 1 5352 1 1 1 1 1 6396 1 1 1 2094 5112 2483 1 5345 4764 7880 1 5461 4150 1 1 1 3671 1 1 1 3455 1 1 4415 8278 1 1 4900 1 5692 1 1 10084 12184 6625 1 10205 11824 1 4631 1 1 6943 4941 1 1 1 1 1 1 5595 1 112.0212 *112.0215* 112.0215@1.3391631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5102 1 1 1 1 1 1 1 1 1 1 1 3986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6739 1 1 1 4679 3952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3994 1 1 1 1 1 1 1 1 1 3187 4786 1 1 1 1 112.0215 *112.0229* 112.0229@1.4079655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3803 1 1 1 1741 2326 1 1 1 1 1 112.0229 *112.0233* 112.0233@3.3593583 1 4657 4124 4807 1 1 1 3500 1 1 1 1 1 1 1 1 1 1 3901 1 1 1 1 1 4572 5658 4094 1 1 1 5469 5692 1 1 1 1 1 1 4506 1 4348 1 1 1 1 5515 1 1 1 1 1 3741 1 1 1 1 1 1 1 4215 1 1 1 1 3788 1 5725 1 1 1 5769 6772 5736 5991 4290 1 1 1 3753 5026 1 5188 1 1 1 1 4850 1 1 1 112.0233 *112.0236* 112.0236@1.3556442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5222 4052 1 1 1 1 1 1 4218 4175 1 1 1 1 1 1 1 1 1 1 4311 5987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5528 7039 3326 5072 7174 9219 1 1492 6048 10357 1 1 6993 4526 112.0236 *112.0241* 112.0241@2.0016887 1 1 1 1 1 1 1 4570 1 3153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4210 1 1 4075 1 4876 4437 1 1 1 1 112.0241 *112.0263* 112.0263@1.6709931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0263 *112.0276* Uracil 23933 22731 1 21825 16831 21989 14720 15827 18007 12422 14538 16775 16075 18726 15746 15950 13849 12382 1 22591 1 25156 16717 16732 18407 17075 16937 16693 1 11006 15155 16609 21456 23677 13831 18478 16752 20069 18502 19852 15048 17595 29198 22123 15776 17538 18535 17434 1 9956 19971 16425 20307 21024 20984 1 16034 1 26527 20185 11888 9679 12295 16811 16470 14600 18369 21958 17823 20634 24128 22579 19256 17302 19968 18712 23191 25459 15352 15087 21372 24550 26953 32865 25735 26734 24198 18490 13802 13603 HMDB00300 C00106 112.0276 *112.0372* C3 H4 N4 O 20004 18435 16520 16367 21744 22319 21482 20745 15237 24741 22377 18382 19796 19765 11279 11176 10988 10992 19547 19584 16126 16464 18164 18622 13448 12961 16334 15599 14116 15749 17090 18945 15630 22154 1 17651 15887 18102 14408 15155 21002 21101 15123 16537 13196 13381 19089 18168 15819 15870 19443 19841 15948 15062 15711 14853 15313 15032 16884 16360 13954 15629 14817 16308 11635 15039 16195 16557 15882 15755 17678 17496 18132 15746 18109 14627 13405 14812 11526 12879 13502 14240 12514 13613 17707 16479 20623 16757 15987 15704 112.0372 *112.042* 112.042@1.566417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7048 5610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.042 *113.0203* 113.0203@2.056331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13969 1 1 1 1 1 1 1 1 1 1 1 1 113.0203 *113.0214* C3 H3 N3 O2 - 1.9744488 2865 2669 2555 1 3781 4149 4538 5743 3845 3029 3718 3479 2800 3599 1 1 1 1 4151 3145 3003 2857 1 1 1 2103 1 1 1 2555 2659 2681 2757 2681 1 1 3745 2411 2397 2409 2698 3039 3785 2809 3502 4333 3396 3138 4165 6436 4780 4794 2499 2511 3509 3354 4465 5531 4123 4576 3203 3275 3397 3568 4572 4244 5145 3533 3073 3636 2877 3334 2754 3830 3010 3337 3464 2959 4175 3806 3257 4629 5128 4541 4332 4968 1 2368 5114 4243 113.0214 *113.0219* C3 H3 N3 O2 14201 12914 10217 10334 15794 16772 13371 15913 13221 17331 13238 15141 13219 13201 11801 11329 7860 7542 13463 14132 13759 13721 13482 14275 9811 10704 11672 12020 14477 15009 13409 15657 16791 14851 16708 17308 12617 14224 14070 12850 16602 16166 14213 14189 12519 14336 16876 14696 13501 16596 12709 11915 13943 16242 13654 12065 15436 15582 13901 13965 12555 13416 15902 13143 16639 15296 18044 16864 15120 14363 21281 22368 14535 15960 14453 13913 14361 14472 11314 15091 16042 14111 16091 13962 13988 14191 13465 14891 15710 15783 113.0219 *113.0223* C3 H3 N3 O2 - 1.519167 68640 67574 61998 61476 76315 78957 72421 72919 63908 76623 72290 69334 62495 61278 42784 42103 38871 31918 66144 49331 61463 45692 44066 40608 48343 49532 61594 57155 59227 59666 66710 62956 37039 65754 61908 67606 56537 67052 53158 55431 69559 69472 63851 55874 53574 54680 42706 59764 59292 55027 58497 59447 59122 58511 59478 52435 64581 58964 64559 65451 54480 54367 57353 53139 59249 57735 69412 58771 57566 46175 77748 74008 57458 56509 57330 38827 51934 51904 36362 51903 44979 46544 53845 48460 50545 61493 45816 39369 56169 22755 113.0223 *113.0223* 113.0223@1.5702875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9806 1 18708 1 20855 8914 14723 1 1 1 1 1 1 1 1 25481 1 1 1 1 1 1 1 1 1 1 1 1 1 30333 1 1 4694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15046 1 1 1 1 1 11749 1 1 15079 1 9911 1 1 1 1 1 12481 27852 1 31434 113.0223 *113.0225* 113.0225@1.6365252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9263 1 1 1 1 1 1 1 1 1 1 4602 1 1 8689 113.0225 *113.0419* 113.0419@2.0458589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3658 3801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0419 *113.058* 113.058@4.11846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 1 1 1 1 5566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7540 1 42614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3628 1 1 1 113.058 *113.0587* Creatinine 390460 393081 300583 297107 149654 155407 653443 660953 261942 263475 335485 337674 177228 174920 204133 205463 202428 200310 343109 338900 220470 220073 231966 233184 177851 179462 259862 264563 244389 244138 211871 214457 311979 317430 221711 221422 247556 253713 207774 208169 261771 266860 202691 204471 272455 271515 242437 241258 222236 216825 298401 297182 178716 180176 266071 266714 368044 361044 233900 234183 251579 253979 261731 260430 191929 191653 230710 232581 199414 196314 247107 205155 207387 211496 180686 181671 220454 225400 386704 400908 396790 394554 358331 351538 410419 406965 311276 308816 371053 368158 HMDB00562 C00791 113.0587 *113.1479* 113.1479@4.0432806 7109 7065 4108 4636 1 1 15103 15580 4350 4328 5710 5813 1 1 3047 2849 2440 2605 5439 5688 2446 2696 3363 3219 1 1 1 3786 4006 2897 3294 2359 4960 4726 3101 1 3270 3994 1334 2959 3678 4138 2900 3166 4163 4253 3672 3698 3098 3107 4756 4890 1 1 4201 4149 6466 6582 3142 3592 3828 3515 3984 3782 1849 2668 3073 3331 2283 2760 3795 2517 2797 1 1 1 2911 1 6580 6618 7003 6882 5834 6193 6845 7196 4500 4710 6456 6648 113.1479 *113.9922* 113.9922@0.6689992 92779 1 1 1 93384 1 1 1 1 68074 1 1 1 1 1 1 52095 1 1 1 82736 97277 69798 1 1 47439 1 1 1 1 29411 1 8356 56763 38427 55865 1 1 1 54485 1 1 1 77607 71898 1 1 49729 36604 1 1 1 1 65043 1 1 1 1 34467 1 33979 44742 45788 53544 1 1 28538 1 1 31120 42913 42616 43707 41034 1 1 35243 21913 1 1 34401 23465 1 1 1 1 29321 46954 38765 1 113.9922 *113.9923* 113.9923@0.8626533 26747 29539 51142 53325 44281 42709 52416 40637 33763 33494 38295 37306 24217 25332 35316 34239 33531 32274 32574 30948 33658 34043 28463 31127 26553 27087 33632 31728 30642 34362 35689 35570 26825 23397 20980 26009 24389 22459 27885 27825 1 1 13408 13824 15784 18860 121414 122207 1 20798 15891 15762 17635 15473 22702 22875 18119 17397 20718 21731 17500 14917 26098 35652 9562 10487 11329 12731 16813 15327 1 12966 20438 19496 14235 1 12436 11344 12713 13743 1 14194 1 11395 8635 1 18689 19843 10704 10326 113.9923 *113.9924* 113.9924@2.0329163 1 1 1 1 1 1 1 1 58243 1 1 1 29393 1 26572 1 1 1 25091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9924 *113.9925* 113.9925@0.99386644 56778 59280 29127 45513 25515 37322 1 35502 51530 47027 28977 35993 19404 24544 28113 1 28918 1 28556 25410 40682 36452 31320 33827 34539 29296 33025 31308 48487 41014 22844 1 21940 19088 24364 49701 24146 21678 17552 16893 40741 39530 17285 31883 22227 18356 1 1 34063 34320 19034 25522 32250 21563 33137 1 19968 23412 18399 18589 32081 32535 20495 21434 32123 15774 19039 27741 14360 28702 42828 16741 25927 25855 13723 23022 15703 16930 11601 17732 22402 21893 37633 14397 29105 28849 16737 17891 49791 18094 113.9925 *113.9925* 113.9925@3.56707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9925 *113.9926* 113.9926@1.1343162 62632 68309 1 1 130147 125872 1 40332 81477 1 1 1 67161 71739 87684 122481 1 1 57358 40005 80735 47315 35737 32738 90020 90965 73985 118144 61662 105986 84975 100083 51081 26606 93878 56261 26657 41696 1 1 1 1 29938 81249 1 25690 1 1 35534 35228 1 21594 50979 33984 53142 57508 27077 25094 20196 18814 1 1 43426 42102 17589 32187 19393 1 29081 33670 46839 50291 53713 1 25642 1 20534 1 28770 28985 1 8007 1 37194 1 37377 1 1 45700 45251 113.9926 *113.9926* 113.9926@4.982502 1 1 1 1 1 46469 1 67995 46477 1 1 1 64295 61044 70503 1 1 1 29858 39252 50538 47382 1 46518 1 36426 1 1 31806 1 46998 1 56321 57815 1 30687 1 28575 1 1 1 1 1 1 1 24240 31237 31942 27790 33331 1 1 37950 38682 1 23364 1 1 25750 1 1 1 1 1 1 1 14589 1 1 25870 15946 1 1 1 1 1 1 1 1 1 1 25416 1 1 1 1 15485 1 19640 1 113.9926 *113.9926* 113.9926@5.2303247 1 1 1 1 1 1 1 20408 1 1 1 1 1 1 1 1 1 1 30388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24108 1 1 1 1 1 1 1 1 113.9926 *113.9926* 113.9926@5.6702795 1 1 1 1 1 1 1 31575 44788 1 1 1 1 1 1 1 1 1 35199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22210 1 1 1 1 1 1 1 1 1 15492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9926 *113.9926* 113.9926@1.0421796 71158 57144 1 1 1 37474 1 1 1 1 1 1 19484 23686 37086 1 1 1 35363 30136 1 30222 1 37931 1 31555 1 1 18385 1 33198 1 17408 30262 56610 38303 1 24598 1 1 1 1 1 1 1 24515 1 1 1 12265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26001 1 1 1 1 43968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47407 113.9926 *113.9926* 113.9926@1.21156 86590 74322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42049 1 1 22449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9926 *113.9926* 113.9926@4.174757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9926 *113.9926* 113.9926@1.7027308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34630 1 1 1 1 1 1 13577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9926 *113.9927* 113.9927@1.3648802 1 1 1 1 1 47053 1 41426 1 1 1 1 54614 1 1 1 1 1 16761 1 1 15488 1 1 1 1 1 1 1 1 24040 1 1 56200 1 1 1 1 1 1 1 1 1 1 1 19454 1 1 1 1 1 1 1 21380 1 1 1 1 1 1 1 1 49025 52397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@1.6406331 1 1 1 1 1 70318 1 62267 40403 1 1 1 71902 65884 51782 1 1 1 91576 1 1 72502 1 1 1 1 1 1 1 1 44384 1 1 42724 1 37311 1 55791 1 1 1 1 1 1 1 58155 1 1 29650 31498 1 1 1 26067 1 23924 1 1 60327 1 1 1 1 1 1 1 49953 1 1 1 45262 1 1 1 1 1 1 1 1 1 1 25650 1 1 1 1 1 1 14412 1 113.9927 *113.9927* 113.9927@1.9553851 1 1 47692 75712 1 1 43046 15408 55765 1 1 39120 66202 74452 45525 27192 1 1 30004 1 1 1 1 30729 1 40102 1 1 1 1 19312 1 1 1 1 1 1 1 1 1 1 1 1 1 56619 16003 1 1 1 1 1 1 29813 28556 1 1 1 1 1 1 23334 1 1 1 1 1 28872 1 1 42293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19976 1 113.9927 *113.9927* 113.9927@2.9486449 1 1 1 1 1 1 1 72277 1 1 1 1 64950 87739 1 1 1 1 1 1 44137 43402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34644 1 1 1 1 1 1 1 1 1 1 1 21257 1 1 1 21633 1 1 1 1 1 1 1 1 1 1 26871 1 26721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@4.0021644 1 1 1 1 1 22497 1 35252 32352 1 1 1 1 39134 1 1 1 1 14072 1 1 1 1 1 1 1 1 1 1 1 31168 1 1 23166 1 24218 1 16172 1 1 1 1 1 1 1 17944 1 1 1 1 1 1 1 11080 1 19842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12862 1 1 1 1 1 1 1 1 1 1 9459 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@4.288945 1 1 1 1 1 1 1 73839 1 1 1 1 1 60160 27670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28558 1 1 1 1 1 1 1 1 1 36932 1 1 1 44845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41932 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@5.162273 1 1 1 1 1 73892 1 100399 60068 1 1 1 103219 104381 1 76905 100619 68631 82572 61003 1 1 106946 1 1 1 72964 1 58841 1 1 68999 1 62624 1 18613 1 47249 59637 94796 1 1 1 1 1 46894 37690 1 60001 49026 49184 1 36037 10028 1 27699 1 1 1 1 1 1 1 1 36629 1 31256 1 1 30959 28207 1 1 1 1 1 1 1 1 1 1 20959 1 1 1 1 1 1 23545 1 113.9927 *113.9927* 113.9927@5.751949 91052 87787 1 75699 1 54373 1 63352 73758 1 1 1 40013 44631 48452 1 1 1 24103 1 1 36965 1 39594 1 1 1 1 1 1 26174 1 1 36158 1 43034 1 24561 1 1 1 1 1 1 1 34796 1 1 23423 23711 1 1 1 24533 1 26177 1 1 1 1 1 1 1 1 1 1 19878 1 1 1 33458 1 1 1 1 1 1 1 1 1 1 23423 1 1 1 1 1 1 19791 1 113.9927 *113.9927* 113.9927@6.0041223 1 1 1 1 1 1 1 39853 31790 1 1 1 1 1 33706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@6.4079776 1 1 1 1 1 56099 1 70146 42721 1 1 1 47441 52102 1 1 1 1 1 1 1 58607 1 1 1 1 1 1 1 1 1 1 1 50803 1 11550 1 38859 1 1 1 1 1 1 1 1 1 1 18679 42023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40052 1 1 1 33124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@6.5073953 1 1 1 1 1 1 1 35441 65164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@7.529 1 1 1 1 1 1 1 44215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@1.124063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9927* 113.9927@2.8764195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9927 *113.9928* 113.9928@6.715333 1 1 1 1 1 1 1 1 31126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9928 *113.9928* 113.9928@1.4561838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9928 *113.993* 113.993@5.4497685 1 1 1 1 1 1 1 26811 1 1 1 1 1 1 42344 1 1 1 27139 1 1 1 1 1 1 1 1 1 1 386164 1 1 1 21286 407258 1 1 17415 1 1 1 1 394942 387478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476411 1 1 1 1 1 1 1 451791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.993 *113.993* C4 H2 O4 386451 384902 387484 392684 421892 415630 433218 430151 432890 442493 402574 392475 424437 426034 461536 459530 444472 449490 507161 511307 450364 451665 449842 450243 512554 514485 459861 446996 451779 62711 445324 438544 450482 465918 65640 466521 454962 462526 455337 461364 487120 478801 39506 55557 468980 472237 465824 468566 490250 486577 500584 503422 511149 516748 469820 475049 491834 484706 478890 464581 464461 459548 485736 491554 487530 20663 528414 527544 512542 522723 565134 576998 466398 20691 483651 489842 487857 489303 497641 497781 525200 525179 514930 521551 516477 519115 566430 567872 482885 492090 113.993 *114.0282* 114.0282@2.7768533 22542 26748 13284 17006 4317 8776 22597 19356 24978 15071 2240 1779 26381 20303 5928 7422 15428 20337 13157 14416 20020 15892 35515 29628 3458 9762 24441 23189 34247 34512 4838 9231 18017 19044 1927 28988 8988 5576 15782 1775 7623 17486 12440 1 17011 15798 5100 7769 8542 25331 5995 14907 9119 4538 1 1 20490 16899 16547 10541 1 1 16905 18386 22351 24192 1 1 11753 1 4350 6332 1 1 7708 7213 1 1 11552 8982 6757 6737 1 18165 15679 16266 8684 1 1 1 114.0282 *114.0296* C5 H6 O3 6773 1 1 1 1 1 1 1 1 1 34839 5936 1 9552 1 1 1 1 1 1 7013 6966 1 1 9779 1 1 4232 1 1 64547 57294 1 1 6540 8359 42103 40166 5550 1 1 7924 100165 87787 4532 1 3216 42238 1 8829 7245 12612 11457 9586 36459 37676 9508 9900 1 7629 3767 12039 8075 4970 10248 12144 13869 6967 1 5931 8832 10078 36608 42716 37266 33739 51304 3827 1 1 1 1 10292 9746 9315 5105 11741 5398 28164 7474 114.0296 *114.03* 114.03@2.8010437 1 1 1 1 1 1 1 1 1 1 1 38653 1 1 1 1 1 1 1 1 1 1 1 1 4280 1 1 1 1 1 1 1 1 1 24930 1 1 1 1 1 1 1 1 1 1 1 41558 1 1 1 33768 14453 1 1 1 1 1 1 1 1 46203 54613 1 1 1 1 29611 27223 1 1 4174 1984 1 1 1 1 1 35245 1 1 1 1 22735 1 1 1 3933 1 1 28503 114.03 *114.0302* 114.0302@2.661079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2494 1 1 1 1 1 1 8194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0302 *114.0416* 114.0416@2.2717385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7744 7485 1 1 1 1 114.0416 *114.0636* 114.0636@1.7030212 1 1 1 2669 1 2294 1 1 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 2560 1 1 1 1 1 3006 1 1 1 1 1 1 1 1 4615 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0636 *114.0648* 114.0648@1.699227 1 1 1 1 1 1 17473 18782 1 1 5677 6960 1 1828 2617 2034 1 1792 1 2429 1 1 1 1 1 1 2360 1 1 1 4073 4116 7788 8810 1 1 1 1 3002 2609 1 1 1 1 1 1 5002 6217 5322 1 8700 8338 1 1 1 2785 9597 10694 4113 4048 4665 3757 7265 7482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10539 11052 5165 4848 1 1 7128 6963 11235 10595 5030 4540 114.0648 *114.0662* 114.0662@1.0158079 1 1946 1 1 1 1 2775 3175 1 1 1 1 1 1 1 1 1 1 6617 6608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 3194 1 1 1 1 2308 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0662 *114.0831* 114.0831@5.483664 7935 8725 8081 7765 7874 8790 9583 9222 9174 9307 7961 9051 9115 9087 10114 9607 9541 9830 12472 11628 10362 10487 10435 10573 11690 11783 9338 9677 10113 10302 10001 9995 11004 10454 10521 10174 9690 10572 10001 10154 10606 10933 9168 9624 10567 10519 10128 9136 11269 9634 11291 11234 11927 10855 9819 10324 10088 10919 10868 10617 9929 8779 10622 9812 10997 10746 11988 11323 12282 11541 12631 13537 10346 10154 10735 10927 10242 9643 11504 11044 11002 11811 11525 11670 11575 11001 11939 13055 9575 9976 114.0831 *114.103* 114.103@1.1741027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14527 1 1 1 1 114.103 *114.1151* 114.1151@5.4807606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2593 1 1 1 1 1 1 1 1 1 1 114.1151 *114.1188* 114.1188@5.483974 1 1 1 1 2564 2608 1 2907 1 2609 1 1 1 1 2763 2310 2644 2555 3269 3485 2875 2856 2839 2718 3198 3163 1 2761 1 2880 2800 2666 2867 2904 2850 2880 1 3010 2799 2863 2837 2812 1 2035 3107 1 2877 1 3025 2847 2933 3207 2995 3341 1 2677 2879 2865 3041 2616 2803 1 1 2936 1 2967 3200 3198 3283 3214 3412 3511 2804 2840 2862 2969 2916 1 2858 1 1 2805 2989 3120 2576 3118 3500 3638 2500 2587 114.1188 *114.9178* 114.9178@0.77226514 7548 8201 5435 6088 4322 4473 5658 5705 8326 8725 5010 5953 7711 7390 6875 7014 6252 5326 5199 5036 5875 5524 6365 6426 5626 6562 4677 4687 4908 4851 1 1 1 1 1 3741 1 4365 1 3567 1 4321 9118 5035 1 1 4166 4298 5398 5571 5569 6317 6110 5091 1 1 4864 5037 4474 4359 4782 1 1 1 1 1 1 1 4498 1 4500 4448 1 1 4382 1 3918 4081 1 1 1 1 4214 1 5525 4538 4634 4373 4714 4826 114.9178 *114.9183* 114.9183@0.75179684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 114.9183 *114.9488* 114.9488@1.9793905 4768 5296 7087 6210 1 5315 1 4656 1 4575 5063 5013 5538 1 4858 1 3741 1 5102 5388 1 5113 1 5284 1 1 4730 1 1 4294 3657 1 1 1 1 1 1 4907 1 1 1 1 1 1 1 1 4277 1967 5325 1 1 1 1 1 1 1 1 1 1 1 4546 1 3983 1 1 1 4182 1 1 1 1 1 4608 1 1 1 3718 1 1 1 4446 4038 1 1 1 1 1 1 1 1 114.9488 *114.9489* 114.9489@1.1136701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4031 4386 1 2328 1 1 1 1 1 1 1 1 1 1 1 1 6186 5116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6771 6719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9489 *115.0302* 115.0302@3.04893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0302 *115.0308* 115.0308@2.9310176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7219 6925 1 6757 1 1 4933 6130 1 1 1 1 1 1 4424 1 1 1 1 1 4334 1 5784 1 1 1 7177 1 7098 1 5225 4655 1 1 16716 1 1 5424 1 1 2338 1 1 1 1 1 1 1 1 1 1 1 7369 1 1 11625 1 1 1 1 1 1 7956 1 1 1 1 1 1 1 1 1 115.0308 *115.0316* 115.0316@2.8873906 1 1 10164 4629 12804 11204 1 1 1 1 1 1 1 1 7213 5440 1639 1 5593 8058 1 4420 1 1 6056 4503 4818 5769 5737 1 1 1 6296 14783 1 1 1 4487 8359 4014 8154 14362 7404 1 3475 3522 6620 1 5851 8538 8195 1 4678 4775 1 3478 1 10294 11223 14146 1 1 1 11651 5827 9648 5499 3302 6465 15540 5403 13186 3420 7002 1 1 7214 4375 1 4774 5613 11711 1 1 1 1 11501 5784 15351 1 115.0316 *115.0324* 115.0324@2.5662181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3898 1 1 1 1 1 1 1 1 115.0324 *115.033* 115.033@1.9736058 6392 6491 1935 2672 2783 3695 5222 3782 2370 5552 3046 5779 2281 1 1 2549 1 1 1 2953 2654 2838 1 1 3297 3678 2602 3325 2064 4421 3835 3898 2197 2267 1 1 3609 2896 3533 5046 5797 1 3462 4352 4204 3944 3165 4257 7280 3892 4645 6205 2516 2157 6830 8668 4330 5295 4215 5659 3912 4101 3557 4096 3760 4349 4573 3653 4622 4980 3250 1 2438 3579 2461 2774 6419 5222 3769 8066 5398 4869 7668 5817 5957 5884 3200 2756 5406 5404 115.033 *115.0348* 115.0348@1.5335597 1 1 1 1 1 1 1 1 1 12525 1 1 1 1 1 1 1 1 1 1 1 6590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30836 5851 5786 4203 1 1 1 1 1 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5762 1 1 1 1 29129 1 1 1 1 1 1 63132 3845 1 1 115.0348 *115.0365* 115.0365@2.0718188 1 1 1 1 4315 1 1 1 1 1 1 1 3570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 4600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3344 1 1 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3377 1 1 115.0365 *115.0366* 115.0366@1.7735515 7274 7324 8853 9558 9546 10125 19106 22929 9389 14998 8486 8932 6086 6842 6515 6128 6386 5491 10747 11244 6416 6764 8258 8274 7302 7098 7472 7307 4483 5648 10630 11795 10131 8494 9270 9874 6948 6967 6196 5920 10383 9356 6573 6351 7839 8156 14148 14226 8723 8718 9216 8456 6084 6433 7146 8830 14991 15045 6093 5682 13571 13837 8519 8860 5262 4689 11569 12556 8528 8716 8673 7718 5519 1 5450 5916 7629 7915 13925 13695 9002 8687 10179 8642 12651 11795 8322 8927 11110 9972 115.0366 *115.0367* 115.0367@2.071555 1 1 1896 1 2122 1 1 3413 1 1 1 1 2344 5525 1 1 1 1 1682 1 4145 5294 1 1 1 1 3676 2182 4569 4134 5201 5836 1 3274 1 1 5062 1 1 1 1 1 7647 8441 6825 1 6094 4176 4257 1 4371 1 4455 1 3181 5926 1 1 3071 4289 4056 5606 3985 1 1 6698 5836 4488 3166 1 1 2530 5416 7984 2772 1 1 1986 3815 3577 1 3830 4446 2162 1 1 4051 3320 1 3938 115.0367 *115.0376* 115.0376@1.8190877 1 1 1 1 1 1 7548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0376 *115.0621* 115.0621@6.3653116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0621 *115.0629* Proline 13555 13510 9385 9026 19085 17856 20525 20826 23057 22884 13460 14933 8955 9620 14942 13938 11726 14864 22825 22375 10510 11462 15432 17479 23603 24510 13081 13043 16472 18350 18139 17501 19078 18806 21349 20726 23784 25529 10571 10617 23020 22579 12330 14764 12473 13403 15759 17308 18406 17459 27711 27927 14987 14813 15526 14210 16798 16121 19359 18101 21253 21688 13100 14514 16618 16854 27374 28920 17906 17521 22576 23872 12823 13083 11571 11442 17329 16287 15783 17252 13336 14299 15642 14194 20634 19736 12911 13840 26015 23874 HMDB00162 C00148 115.0629 *116.0104* Fumaric acid 3420 3810 1 1 3062 3065 3676 3836 3748 3476 3118 3037 4413 4156 10561 9270 1 2850 10479 10892 16840 17108 12339 12883 13437 14303 14978 14616 18426 19406 2904 3461 4947 7045 33439 32269 17300 17305 5012 4281 18376 18971 4548 4372 8522 8148 7783 7458 3519 3526 22302 21590 3408 3391 6423 6493 3768 3498 4473 4909 37552 36026 2826 2398 7455 6794 4092 4462 3015 3240 6067 5750 4003 3582 4096 3537 4050 3231 3793 4254 10358 10663 3764 3942 4395 4324 4498 4826 4286 4497 HMDB00134 C00122 116.0104 *116.0149* 116.0149@0.72252584 1 1 1 1 1 1 1 1 1 1 3357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4439 1 1 1 1 1 4285 4183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0149 *116.0174* 116.0174@0.72784555 1 1 1 1 1 1 1 1 1 1 1 4183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0174 *116.0205* 116.0205@0.71540874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0205 *116.0219* C3 H4 N2 O3 - 1.4460645 6935 7091 6901 9029 9844 10335 10998 7754 9530 10858 9749 10225 7686 1 8192 8511 1 1 12114 5418 8703 8453 10029 10853 8684 9797 7485 1 8132 10027 9205 7911 6817 9006 9052 10048 1 10184 1 6220 12377 10651 9887 9238 3101 7643 11189 9887 8705 16872 1 1 10146 10459 1 7287 8418 8243 9830 17372 8172 1 7899 8718 10002 9740 5566 12400 11626 8623 11693 13156 9047 6179 9560 1 7982 4481 1 6332 8127 11313 9816 7412 10302 9658 1 7918 7780 1 116.0219 *116.0219* C3 H4 N2 O3 - 2.0810854 22944 13866 38174 29634 27519 37054 37427 30099 45004 41036 11655 1 31679 43944 14900 19654 8220 10114 25585 22303 28338 25225 33036 37922 1 1 31395 22134 22064 25890 45184 52744 40967 51934 1 1 35773 33883 18033 28820 24676 9072 53917 50549 37163 26245 50107 50601 23272 1 26514 1 41055 43209 1 1 27833 30181 1 40176 26964 1 31494 40993 42944 35068 48150 1 32204 43902 49115 1 51878 59009 29942 47022 1 24049 34055 13472 38356 43001 1 1 20556 36748 20578 38215 22318 1 116.0219 *116.0219* 116.0219@1.3402239 1 1 1 1 1 1 1 1 1 1 1 7569 1 1 1 2699 1 1 4815 1 10555 9963 1 6286 1 1 1 1 1 1 1 1 9593 1 9923 1 1 1 1 1 1 9829 1 1 1 1 1 1 1 1 1971 1 1 1 1 1 1 1 7114 1 6039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9052 1 8738 1 1 1 1 1 116.0219 *116.0219* 116.0219@1.6332024 1 1 1 1 1 1 1 1 6456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8601 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0219 *116.022* C3 H4 N2 O3 7918 1 6599 9192 12756 14405 9239 2599 12792 12069 1 3086 7245 6507 1 3430 1 1 5599 1 4347 7248 1 2468 5251 7453 4041 1 10680 10938 10937 7129 1916 7675 2644 14576 13537 4067 10886 8156 3683 4015 13525 11949 9366 5410 14049 12633 11137 12724 7125 6434 10825 15359 12210 7439 12659 8687 5344 2625 3174 6479 9756 11865 10598 9419 9513 9121 8303 13399 12060 10861 12866 16384 10878 9675 7032 7360 7153 8780 7463 10591 2635 9191 4987 4284 1 1 15967 7195 116.022 *116.022* 116.022@2.0801628 1 1 1 6588 1 1 1 1 1 1 1 1 12433 1 2380 1 1 6574 1 7286 1 14742 1 1 1 1 9652 12785 1 1 1 1 1 1 1 1 1 8534 1 1 1 1 1 1 1 1 1 1 1 1 12943 1 1 1 1 1 12202 1 1 1 1 1 10314 1 1 1 1 1 1 1 3160 1 1 1 1 1 1 16346 1 1 1 1 1 1 1 1 1 1 7105 1 116.022 *116.0226* 116.0226@2.8607273 1 1 1 1 1 1 1 1 1 7325 1 1 10382 9680 1 1 3212 1 1 1 1 1 6877 4584 1 1 1 1 1 1 10640 5259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10457 11612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0226 *116.0237* 116.0237@2.7892342 1 1 1 1 1 1 1 1 1 4065 1 1 3008 3179 1 1 1 1 1 1 1 1 1718 1789 1 1 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3590 1 1 1 1 1 1 1 4519 1 1 1 1 1 1 1 116.0237 *116.0243* 116.0243@1.9684551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0243 *116.026* C8 H4 O 5678 16842 16240 16874 16590 1 16913 17120 1 5280 19168 11001 12941 1 1 5432 12406 15702 5206 4389 10026 24601 1 1 14392 14883 7661 7032 16862 18203 16132 1 18392 8648 1 5152 17349 10522 12821 15392 9655 5793 23988 9269 25793 22119 34431 27566 29341 24978 28537 28872 19556 1 28364 29073 33366 35214 34133 28761 24513 19764 25761 29274 30737 8708 6387 1 1 24993 1 1 9881 25565 1 1 11242 11804 13464 8622 38776 37447 41923 28864 18424 17310 7265 1 22796 25804 116.026 *116.0265* 116.0265@2.6717582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3393 1 1 1 1 1 1 1 5315 1 1 6860 6087 1 1 1 1 1 1 1 116.0265 *116.0269* 116.0269@0.71490306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4304 4089 1 3628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0269 *116.027* 116.027@1.2665675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.027 *116.0271* 116.0271@2.8506925 1 1 1 6138 1 1 1 1 1 1 9254 1 1 1 9147 1 1 1 20489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11631 1 1 8967 1 11403 1 1 19737 1 1 1 1 1 3028 1 1 1 1 1 1 1 1 1 1 11385 1 17444 1 1 1 3547 1 1 1 1 1 1 1 14361 16720 1 1 1 1 1 1 1 1 116.0271 *116.0273* 116.0273@3.3115485 1 1 1 1 1 1977 1 1828 2914 1 1 1 1 1 2187 1 1 1 5280 1 1 1 1 1 1 1 1 1 1 1 2853 1 1 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 4692 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 1 1 1 1605 1 116.0273 *116.0275* 116.0275@2.928024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20649 1 1 1 1 1 1 1 1 116.0275 *116.0276* C5 H8 O S 1 43203 30159 34347 28261 13700 1 9826 1 1 30115 1 1 6344 6435 16893 1 1 5615 21381 1 29821 1 1 1 1 15488 1 29726 19670 3549 1 13052 18586 1 2213 22303 39520 1 1 15650 11965 1 1 1 42949 22161 20350 14661 11703 33678 1 9580 22976 16891 8330 42876 1 29874 1 19569 1 16322 1 38927 19503 25893 19445 12470 12842 18100 1 40127 39124 1 13434 1 20752 32018 24235 29629 4721 1 1 1 1 1 20765 22321 12172 116.0276 *116.0278* 116.0278@2.9999456 1 1 14666 1 1 20286 1 7817 11397 1 1 1 5729 1 15418 32362 1 1 10354 25346 1 16378 1 1 1 1 1 1 13425 19010 1 1 1 10660 1 1 1 1 1 1 1 23697 1 1 1 1 1 17180 14954 6630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12297 1 1 26409 1 14527 1 1 1 1 8145 1 23875 1 27932 1 2950 1 1 1 1 1 1 19321 1 116.0278 *116.0281* 116.0281@3.0584304 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 2296 1 1 1 3153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2569 1 1 1 1 1 1 1 1 1 1 2187 1 1 1 1 1 1 1 1 116.0281 *116.0289* 116.0289@2.571389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5136 1 1 1 1 1 1 1 1 116.0289 *116.03* 116.03@1.818591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.03 *116.0314* 116.0314@4.045 1 1 1 1 1 1 1 3289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0314 *116.0333* 116.0333@1.249105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0333 *116.0339* 116.0339@2.5775054 1 1 1 1 1 1 1 2800 1 1 1 1 1 1 1 1 1 1 16824 26838 1 1 1 1 1 1 7253 1 1 1 1 1 1 1 1 1 1 1 1 12406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12562 1 1 1 1 1 1 4103 1 116.0339 *116.0366* 116.0366@2.5710413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5027 1 1 1 1 1 1 9756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0366 *116.0413* 116.0413@2.5768201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17263 6808 1 1 1 1 1 1 116.0413 *116.0829* 116.0829@1.3045042 1 1 1 1 1 1 4074 3748 1 1 1 1 1 1 1 1 4856 1 1 1 1 1 3765 4773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6115 6138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2861 1 1 1 1 1 4905 1 1747 1 1 1 116.0829 *116.083* n-Hexanoic Acid 5258 4702 3287 4901 2881 2613 6105 5616 4072 4340 4205 4242 5718 6037 5620 5653 1367 6506 4143 4338 2290 1989 7775 7083 6112 7852 7476 6876 11039 10399 3200 3003 3582 3105 2661 2704 5272 5790 4749 4831 6694 6276 2229 2286 3046 2756 4115 4322 1 3023 7812 7210 4063 3375 4460 4873 3194 2799 3505 3324 3260 3336 2741 3073 3475 3874 4058 4612 2690 2526 2990 2713 4076 4620 2428 3629 3061 3239 4679 4204 7940 8440 4166 4579 2513 6625 5229 8425 1935 1798 C01585 116.083 *116.9275* 116.9275@0.91119975 1 2989 4942 4722 3078 2907 1 1 5396 4994 3885 4465 4019 3958 3880 3596 5429 4659 6087 5536 1 1 1 1 1 1 6450 6609 1 3326 1 3350 1 1 1 1 1 1 3215 3316 1 1 1 1 1 1 1 1 1 1 3328 3260 1 1 1 1 1 1 1 1 3018 2956 1 1 4648 4716 2658 1 1 1 7003 6365 3685 3462 1 1 3492 1 4065 4341 4856 4518 5817 5523 5062 4853 5500 5234 3519 3459 116.9275 *116.9509* 116.9509@1.9786234 3797 3888 3834 4200 4740 4667 12531 11861 4505 4897 4697 5319 2287 1 1 2402 2739 2932 3392 3779 3361 3882 1 1 2693 2458 2652 2593 2318 2749 2959 3235 3392 3314 2461 1805 2851 2524 2771 3355 2636 2337 2843 3431 3865 4224 4004 4034 3453 2968 6249 6693 2353 1 3788 3239 6343 6725 4791 4759 5097 4172 3571 3571 4450 4015 2716 2489 3734 4057 2400 2586 1 1 2262 2516 3739 3642 6552 5735 3650 3739 5243 5882 7351 8061 1 1 5558 6056 116.9509 *117.03* 117.03@2.968473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.03 *117.0425* 117.0425@5.6278257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 2976 1 1 1 1 1 1 1 1 3282 2927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2678 4343 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2437 2287 1 1 1 1 1 1 1 1 1 1 117.0425 *117.0569* 117.0569@1.1118743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0569 *117.0782* 117.0782@6.102444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0782 *117.0785* Valine 31966 32063 29150 29879 28954 29008 27503 25707 33555 37316 31846 32075 23798 24580 36330 34085 25454 24483 39207 37326 32990 32200 28709 28402 46766 46785 29737 29151 38078 40515 26407 27717 28957 28016 30753 30035 39471 36952 26564 26810 31587 33023 52001 47057 28751 27982 45763 43830 37672 38446 34356 34598 34644 35771 38550 38425 44287 45955 38863 38607 47738 48843 24130 24965 42775 43297 47629 48065 42993 43898 40317 37890 32472 35450 38864 39301 48294 48195 34315 33798 34077 30685 53055 52494 36995 36673 33735 31803 37663 37668 C00183 117.0785 *117.0786* 117.0786@3.69992 1 1 1 1 1 1 8546 7561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3834 3868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0786 *117.935* 117.935@0.6573378 1 9050 1 8280 1 1 6559 1 1 1 1 6941 1 1 1 7248 1 1 1 1 11817 1 1 1 7399 7425 1 10382 1 1 1 1 1 1 1 1 1 1 1 1 3880 1 1 1 5466 1 1 1 1 1 1 1 1 7138 1 7298 1 1 6915 1 1 1 1 1 7409 1 1 1 1 1 1 1 1 1 9002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.935 *117.935* 117.935@3.8545246 1 1 1 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 1 1 1 117.935 *117.9351* 117.9351@3.8396308 1 1 1 1 1 1 1 1823 2936 1 1 1 4079 1 1 1 1 1 6526 1 1 1 1 1 1 3960 1 1 1 1 3686 1 1 3386 1 2180 1 2834 1 1 1 1 1 1 1 2743 1 1 2896 3057 1 1 1 3054 1 1644 1 1 1 1 1 1 1 1 1 1 3563 1 1 1 2920 1 1 1 1 1 1 1 1 1 1 4016 1 4272 10671 1 1 1 3893 1 117.9351 *117.9351* 117.9351@6.3669677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 4463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9620 1 117.9351 *117.9351* 117.9351@3.6955147 1 1 1 1 1 1 1 1 1859 1 1 1 6655 2378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6997 1 2068 1 1 1 1 1 1 1 5154 1 1 3086 1781 1 1 1 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6177 1 1 1 1 1 1 3464 1 117.9351 *117.9352* 117.9352@1.5419313 1 9590 4854 4988 11403 11393 23242 20660 6813 6685 8347 1 14407 10182 6014 6267 7257 6434 16056 9446 21179 24603 7776 6805 8733 9807 10051 10252 19614 25785 14686 14422 9385 11063 1 1 10379 8420 23970 25609 4165 1 6670 5896 20592 17803 11473 10836 1 6371 9715 9967 1 5450 1 2840 10299 12713 13868 11477 1 1 6441 5086 5241 1 4267 7953 3755 1 1 1 1 4537 14426 19130 5759 8849 9172 18180 6302 5855 7086 5914 9348 7228 19726 9833 5328 1 117.9352 *117.9352* 117.9352@5.9011784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9352 *117.9352* 117.9352@1.0621375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3345 1 1 1 117.9352 *117.9352* 117.9352@3.557654 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2195 1 117.9352 *117.9353* 117.9353@5.9935393 1 1 1 1 1 2218 1 8915 6644 1 8441 1 8623 16042 9001 1 1 9772 15077 1 11913 16698 1 19453 1 1 6049 1 13710 1 13577 1 1 2811 1 9156 1 9301 1 1 15879 12049 16014 1 10288 3457 7718 20531 24559 12822 20165 19444 16028 14802 1 4623 10339 10859 1 1 22362 1 1 1 1 1 5975 1 18223 1 1 1 11110 1 1 10996 1 19850 1 1 1 19643 1 1 1 11872 1 1 4919 1 117.9353 *117.9353* 117.9353@6.275517 6912 1 1 1 1 2421 1 6594 3917 1 1 1 5130 1 3686 1 1 5639 11633 17652 3911 5072 1 28902 1 12261 4533 1 1 1 1 1 15218 5098 1 14313 1 1 30629 1 31260 31410 1 1 1 5975 22317 17315 1 8209 18952 16099 20235 24990 19750 10515 1 17238 1 1 13441 16899 25598 19032 24860 27417 2339 31444 21611 24970 29815 31121 1 1 7093 1 1 1 21456 17766 16923 7476 24507 1 24540 10769 17451 1 13456 16514 117.9353 *117.9353* 117.9353@6.722126 1 1 1 1 1 4636 1 11545 1 1 1 1 3122 1 5658 1 1 1 14788 1 1 1 1 1 1 1 1 1 1 1 9983 1 1 6410 1 4709 1 6916 1 1 1 1 1 1 1 5059 1 1 11656 6218 1 1 7935 4011 1 1 1 1 1 1 1 1 1 1 1 1 8682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5127 1 1 1 1 1 1 4920 1 117.9353 *117.9353* 117.9353@1.275707 2266 1791 1 1 5844 2906 6787 1 3473 6045 1 5157 7636 7486 6675 1 1 6599 12371 1 1 10082 8498 8715 1 1 1 1 1 6309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9353 *117.9353* 117.9353@7.507678 1 1 1 1 1 1 1 1 1 1 1 1 9766 1 4279 1 1 1 8750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11178 1 1 1 4703 1 1 1 1 1 1 1 1 1 1 3753 10032 1 1 1 12367 1 6827 1 1 1 1 1 1 1 1 1 1 15850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10701 1 1 1 1 1 1 1 1 117.9353 *117.9353* 117.9353@4.400544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5787 1 1 4195 1 1 1 117.9353 *117.9353* 117.9353@7.526894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6930 1 1 1 1 1 1 1 1 1 1 1 5081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9353 *117.9354* 117.9354@1.9739798 15792 15017 12580 14418 19311 13595 20106 19174 15616 13696 17212 15121 12560 10840 11860 12235 12833 12136 14626 14376 14025 14595 11216 14903 11996 12968 13187 12460 12227 13002 12790 12974 13259 14022 9143 10316 12927 13478 13247 13867 14292 11589 14175 13217 14366 14812 15735 14695 14695 14056 17142 16316 12657 12360 16229 14528 16331 17593 15231 15976 14575 16368 13165 14661 16673 14373 12026 12612 13634 15278 11820 11776 13903 12528 12838 13272 14253 15409 16696 15851 13277 14274 16008 15555 17243 16528 9469 9216 15528 16863 117.9354 *117.9354* 117.9354@6.3561287 1 1 1 1 1 6660 7834 8808 6201 19892 1 1 13349 23259 13613 1 1 19655 4963 8385 17433 14231 23961 12585 17961 1 10985 12101 25271 23590 22990 1 1 5341 1 20346 21499 17452 1 1 1 1 23667 1 1 4729 18108 11346 29847 3192 12464 9965 11101 25249 1 3077 8167 1 1 8533 1 1 1 1 1 1 21581 1 5962 9563 1 1 1 31891 14968 1 13965 1 1 9158 13690 19112 1 1 10300 20639 1 1 4849 1 117.9354 *117.9354* 117.9354@6.4954367 1 1 1 1 1 11572 1 12770 5568 1 1 1 5001 1 3090 1 1 1 3615 5336 1 23450 8684 11210 1 19277 10170 3846 1 1 19803 1 1 9473 1 11097 1 11963 1 1 1 1 9177 1 1 20446 8372 1 10747 28440 1 1 14209 1 1 29820 1 10409 1 1 1 1 1 1 1 1 9245 1 1 1 15306 11550 1 1 1 17142 1 1 1 1 1 16839 1 1 1 1 9779 1 19914 1 117.9354 *117.9354* 117.9354@6.606046 1 1 1 1 1 3540 1 4411 1 1 1 1 1 1 12659 1 1 1 5817 1 1 12640 1 1 1 1 1 1 1 1 1 1 1 5600 1 1910 1 10712 1 1 11092 1 1 1 1 7632 10226 1 2960 1 1 1 1 8494 1 1 1 1 1 1 1 1 1 1 1 1 5500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7327 1 1 1 1 1 1 6988 1 117.9354 *117.9354* 117.9354@1.3882145 1 1 1 1 5444 6162 1 1 4106 1 1 1 4118 1 4509 1 1 1 8057 1 1 6876 1 1 1 1 5146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 117.9354 *117.9354* 117.9354@6.8571525 1 1 1 1 1 9557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3694 1 5479 1 1 1 1 1 1 1 1 1 9192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 1 1 1 1 1 1 1 1 117.9354 *117.9354* 117.9354@1.3213458 1 1 1 1 1 3268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9354 *117.9355* 117.9355@7.2489576 1 1 1 1 1 6206 1 9084 1 1 1 1 8187 1 8552 1 1 1 7239 14286 1 7431 1 1 1 15577 1 7155 1 6381 9556 1 1 11589 1 9090 1 3688 1 1 1 7356 1 1 1 6901 1 1 8847 11332 1 1 1 9328 1 6990 1 1 12158 1 1 1 1 1 1 1 9882 1 16845 1 17951 1 1 12188 1 1 1 1 1 1 18790 9073 18185 1 1 1 1 1 7078 1 117.9355 *117.9355* 117.9355@6.409285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9355 *117.9356* 117.9356@3.515185 1 1 1 1 1 1 1 1 1 1 1 1 1 3284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 117.9356 *117.9357* 117.9357@1.6307698 1 1 1 1 1 3165 1 1 1 5174 1 1 1 5089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6906 8926 1 1 1 1 1 4583 1 1 1 1 1 1 1 1 1 1 1 1 7136 8446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5037 5041 1 10754 7238 1 1 117.9357 *117.9357* 117.9357@6.6635885 1 1 1 1 1 2328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9357 *118.0261* Erythrono-1,4-lactone 34796 33104 31527 32292 24507 25127 21814 22775 24375 23909 32001 33843 32381 31757 31039 32604 24009 23853 48443 45859 48098 47778 22995 25064 26502 26815 50009 50540 34267 35638 30210 28635 34691 34647 27686 27979 33135 34017 82298 82349 40118 41907 44748 45919 28605 27999 34165 40099 34315 34518 33081 33051 28789 29634 38733 38495 37839 40393 40399 40036 28174 28169 48196 48046 41208 42780 39122 38384 27980 28298 83145 84683 45247 46320 29904 31383 51366 51916 67522 77255 53188 55810 38155 38158 66138 64701 60656 59336 35546 37958 HMDB00349 118.0261 *118.0272* Succinic acid 9195 1 1 1 1 7780 1 1 7730 7507 1 10726 1 7318 7541 7547 1 1 14529 14601 15943 1 6494 5901 1 1 14195 13929 1 1 1 10338 1 11269 6858 7144 1 10567 24225 23806 11840 12222 1 15403 1 1 1 1 1 1 1 1 1 12225 1 1 1 1 1 1 1 1 1 1 1 16523 14787 14041 12237 1 27847 28045 14674 1 1 11026 21949 21230 46411 36122 1 1 1 1 27027 28282 14381 16575 1 1 HMDB00254 C00042 118.0272 *118.0454* 118.0454@1.6456839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5541 4796 1 1 118.0454 *118.0573* 118.0573@1.9817107 9691 16776 2523 2629 1 1915 7716 4369 1 1 1 1 1 1 1 1 1627 1 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 4573 1 1 1 1 1 1 6538 3037 1 1 1 1 1 2999 1 1911 2945 1 8219 5786 7387 3387 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6072 6606 7911 6610 6736 1 1 1 1 1 1 118.0573 *118.0622* 118.0622@1.3940403 3975 1 1 1 1 17245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 1 1 1 1 1 1 1 1 4480 1 1 5297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4473 10497 1 1 118.0622 *118.0623* 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid 13542 18108 26682 29945 52849 34122 35207 36526 21294 22242 26414 25424 26944 26296 21468 21563 19214 21225 43089 44211 21232 24855 27214 27046 27771 34500 27689 28537 33442 35777 28247 29975 37665 38384 8223 12962 28423 22561 35348 36535 21606 23781 28088 26419 31702 33533 26147 28434 26105 25912 45725 42737 23296 23833 32051 31552 29268 32439 22953 24274 19386 21418 28598 29121 15670 25167 40927 41301 27287 25205 16413 16687 36663 35035 26156 26712 34949 37327 37154 39645 46199 45859 24399 25838 26343 27068 31889 26293 28490 28369 HMDB00351 118.0623 *118.0623* a-hydroxyisovalerate 1 14057 1 1 13524 10783 12530 17088 1 11953 23480 24165 1 1 1 8750 80391 78915 1 1 14263 1 1 2907 17031 18493 1 1 3822 1 10171 1 13592 1 1 1 9450 4467 2521 1 9985 6974 49875 44899 4722 6885 43062 44127 3160 8855 1 1 1 16933 6544 3040 3545 5810 9207 1 51339 51911 5026 11789 8368 1 8344 6679 2974 5333 1 1 7261 18506 44933 7338 21833 13648 13485 1 1 1 11026 1 3896 6965 1 6707 20401 13779 118.0623 *118.0624* 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid - 1.497357 27536 27453 19671 20307 20173 21117 35289 34339 16139 18191 29823 29543 25570 25820 21277 21247 14128 15355 33974 32129 24401 25261 19414 19121 30682 32183 21314 22631 25811 28455 29604 29656 29504 28624 31349 29711 25207 27720 32790 32748 20286 20428 29228 29902 47248 47066 31546 32197 21554 20570 24756 23330 20779 20960 29217 28676 42259 42668 37747 37402 25654 27226 32634 33460 40917 41733 53394 52713 24835 26254 22230 22647 31565 33486 30148 32551 33582 36984 62255 64713 43930 43398 65904 69464 44407 44076 24010 23275 35545 33903 HMDB00351 118.0624 *118.0624* 118.0624@2.733402 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26028 1 1 1 1 10894 1 1 1 1 1 1 1 1 1 1 1 1 15236 1 5247 1 1 1 1 1 1 1 59116 1 1 1 1 1 1 1 1 1 1 31590 36714 118.0624 *118.0625* 118.0625@2.9974778 1 1 1 1 1 1 8929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0625 *118.0629* 118.0629@2.848948 1 1 1 1 5829 7174 27487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9351 1 9033 1 1 1 1 5458 1 1 1 8858 1 1 1 1 1 1 30400 4298 1 1 1 1 12557 18306 2863 1 1 1 1 1 8475 9070 1 1 1 1 5291 2748 1 1 1 1 1 34959 64673 8290 1728 1 1 1 1 1 1 1 1 1 2889 8743 118.0629 *119.0112* 119.0112@2.1009104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3000 4655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3248 1 1 1 1 1 1 119.0112 *119.0114* 119.0114@0.6876023 1 1 1 1 4074 1 1 1 4363 1 4656 1 1 1 1 1 1 1 5213 1 1 1 1 1 1 1 1288 1 1 1 1 1 4045 1 1 1 1 4633 5358 1 1 1 1 1 1 3654 1 1 4409 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6548 119.0114 *119.0114* 119.0114@0.8392159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2683 1 1 1 2037 1 1 3617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0114 *119.0115* 119.0115@1.1861249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2672 1 2902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 119.0115 *119.0115* 119.0115@0.9644591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0115 *119.0117* 119.0117@2.7982035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3740 1 1 1 1 1 1 119.0117 *119.0117* 119.0117@1.4699156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0117 *119.0118* 119.0118@2.8541741 1 1 1 1 1 1 3927 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 3617 3932 1 3211 5477 4547 1 3968 1 1 1646 1 1 1 1 1 4962 1 1461 1 1 5210 1 6099 1 2459 4491 6922 1 3438 1 1 1 1589 1995 1 6979 1 1 1 1 1 1876 1 1 3646 1 1 1 1 1817 1 7334 3362 1 1 1 1 1 1 1 3465 1 1 1 1 1 1 119.0118 *119.0118* 119.0118@0.927634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 3637 1 1 1 1 1 3060 1 1 1 1 1 1 1 1 1 1 3588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0118 *119.0199* 119.0199@1.8612424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0199 *119.0564* 119.0564@6.521522 1 1 1 1 1 3448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8056 1 1 1 1 1 1 1 1 1 5558 1 1 1 3425 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4687 4366 1 1 1 1 1 1 4017 1 1 1 1 1 1 1 1 1 1 1 119.0564 *119.0575* D-Homoserine - 6.4196935 6708 9132 11579 12778 10660 7364 12778 12031 18651 20047 17189 18061 16928 16194 22097 23264 6464 9426 18453 19640 10122 8255 15186 14842 21736 21730 9576 12093 16185 17016 27840 22306 8660 10451 10292 13456 16649 17550 14995 14393 20564 16078 15574 16623 9660 10644 16043 15175 25732 25670 29212 28180 19088 18743 23158 23033 29285 29477 34602 30361 23589 23568 18035 16573 23457 21187 22638 22471 24417 23522 39776 39992 14018 13912 13501 13737 20852 19864 11300 15346 21202 21083 14440 15079 22873 23304 27561 27761 11935 16881 119.0575 *120.0436* Purine 651446 716187 334157 469757 331644 324497 612116 614458 284829 636157 658455 361449 125862 594429 350633 556736 683087 792309 384515 389738 371095 412073 590678 336802 601606 361067 275848 348834 392372 740680 387089 755842 695328 247112 376706 333752 404550 387092 854268 849966 654821 651666 714501 784772 409531 400723 673672 693988 335312 68225 485610 509044 333136 345933 352662 326234 482799 458095 783738 765057 1 1 458445 428399 212182 543032 382866 376183 329386 349121 380204 411176 798291 785905 621831 408389 774750 404230 565381 566181 632745 300024 369400 429003 467957 437330 691314 705170 394025 405940 HMDB01366 C00465 120.0436 *120.0436* Purine - 1.0046674 431970 176866 566460 1 689724 696122 1 307093 662667 1 1 612813 595843 244928 548698 1 1 1 607699 597617 800174 722895 1 544274 1 605384 1 301426 693130 1 772339 1 1 729954 1 126108 797748 774441 1 1 1 1 1 492154 847961 862799 1 1 637515 182437 773759 773399 362691 43539 226858 229248 840910 895501 1 1 1 1 1 486415 499536 1 436519 435662 251490 1 594051 543259 1 1 1 688914 1 736999 1 1 1 595189 309920 559224 378834 365457 1 1 960284 1 HMDB01366 C00465 120.0436 *120.0436* 120.0436@1.0959194 1 186695 1 1 1 112100 1 86167 186663 1 1 1 210690 90875 249074 1 1 1 215009 1 1 184247 1 1 1 1 1 1 1 1 100653 1 1 82002 1 1770899 1 67281 1 1 1 1 1 1 1 237801 1 1 177247 228686 1 1 1 235007 1 272694 1 1 191911 1 1 1 1 1 520915 1 330159 237625 1 1 268706 302509 1 1 1 1 1 1 1 1 1 150007 1 279690 1 187768 654713 1 352430 1 120.0436 *120.0436* 120.0436@1.3213556 1 233623 1 1 1 192402 1 146490 61757 1 1 1 510911 137323 108008 1 1 1 524997 1 1 211398 1 466794 1 1 1 1 1 1 507832 1 1 139261 1 362503 1 456970 1 1 1 1 1 1 1 335980 1 648593 283805 514027 1 1 532300 503107 1 201176 1 1 1 1 1 1 1 1 1 711624 573232 1 1 1 272169 261129 1 1 1 1 1 1 1 1 1 493614 1 1 1 1 1 1 246771 1 120.0436 *120.0436* Purine - 1.9905083 1217456 1204060 1552271 1604287 843235 1506654 1128224 1051186 1477489 1509439 1413041 1374732 165718 198212 1295653 1250599 1435887 1385117 1355141 1366952 1390764 1397468 1165927 1190561 1458701 1436778 1501083 1512207 1368887 1454229 1590721 1615551 631659 1724806 1056369 1047906 1499249 1476248 1572195 1569445 1335820 1372979 676900 1707954 1823955 1807724 1732336 778796 1667876 1686014 1230182 1313525 1559633 1557775 1754160 76157 1780899 1326778 1155376 1362651 1264061 1220451 791705 1748836 1841754 1675167 1658508 1597091 1707090 1666232 428396 1510817 1649718 1678862 1514594 1525447 1828898 1772172 1266924 1286195 1755577 1823588 876795 872750 1309595 1339570 1283535 1535841 1625349 1681918 HMDB01366 C00465 120.0436 *120.0436* 120.0436@2.0529685 1 1 1 1 683399 1 783495 805986 1 1 1 1 1173815 1056659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957470 1 1 1 1 1 1 1 1 1 1065782 1 1 1 1 984097 1 1 695943 671007 1 1 1 1745602 1 541590 264525 656348 529408 580876 919498 1 1 1 1 1 1 1 1476039 1 1 1 1 1 1 1 617162 635824 1 1 1099186 1083258 817532 752197 1 1 1 1 120.0436 *120.0436* 120.0436@5.0244718 1 1 1 1 1 1 1 613763 257639 1 1 1 107214 147605 594853 1 1 1 284303 289042 1 286163 1 1 1 1 1 1 1 1 642684 1 668721 638358 1 1095886 1 680543 1 1 1 1 1 1 1 1 1 1 362561 726862 350838 1 745829 723516 1 866511 1 1 1 1 1 1 1 1 1 1 411814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340195 1 433057 1 120.0436 *120.0436* 120.0436@5.1443243 1 1 1 1 1 274010 1 346233 674786 1 1 1 163923 299960 317644 1 1 1 176075 340513 1 317067 1 1 1 1 1 1 1 1 398950 1 1 366902 1 1 1 354606 1 1 1 1 1 1 1 413596 1 1 340144 374789 429652 1 382252 431519 1 355232 1 1 1 1 1 1 1 1 1 1 427514 1 1 1 402680 1 1 1 1 1 1 1 1 1 1 391412 1 1 1 1 1 1 442585 1 120.0436 *120.0436* Purine - 5.6426544 1 1 596340 513313 1 401021 604459 537858 553544 581235 349292 320667 257948 308143 336348 1 545939 1 290568 1 1 270394 1 588001 1 1 304521 1 1 1 338064 1 1 310266 684701 330474 1 607752 1 1 1 250578 640673 672099 1 589434 655390 650996 623010 640453 1 1 279960 221760 1 242124 1 1 1 1 1 1 1 1 629415 1 274493 604374 1 1 291656 1 605134 645514 1 1 645520 1 1 1 1 258407 1 1 686701 1 1 1 223287 1 HMDB01366 C00465 120.0436 *120.0436* 120.0436@5.8251014 1 1 1 1 1 233448 1 211926 222276 1 1 1 1 252766 243325 1 1 1 269141 1 1 203946 1 203082 1 1 1 1 282278 1 264941 1 1 280892 1 272213 1 284956 1 1 1 1 1 1 1 1 1 1 253513 216964 1 1 1 273590 1 283380 1 1 1 1 1 1 1 1 1 1 263586 1 1 1 303744 1 1 1 1 1 1 1 1 1 1 265850 1 1 1 1 1 1 228750 1 120.0436 *120.0436* 120.0436@6.5057044 1 1 1 1 1 135583 1 215595 190843 1 1 1 267686 184678 209591 1 1 1 247245 1 1 185526 1 1 1 1 1 1 1 1 234281 1 1 231720 1 153309 1 189285 1 1 1 1 1 1 1 183934 1 1 180020 208045 1 1 1 156318 1 240518 1 1 1 1 1 1 1 1 1 1 190578 1 1 1 227234 1 1 1 1 1 1 1 1 1 1 228781 1 1 1 1 1 1 194444 1 120.0436 *120.0436* 120.0436@1.4383472 1 1 1 1 1 1 1 1 127573 1 1 1 188996 189943 1 1 1 1 173166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174983 1 1 1 124378 1 1 1 1 1 1 1 1 1 1 1 1 227713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83392 1 120.0436 *120.0436* 120.0436@1.0264189 1 1 1 1 1 1 1 1 192890 1 1 1 130182 1 104924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347753 1 1 1 327280 1 357570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378396 353988 1 1 1 1 1 1 1 1 1 165018 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@3.2528005 1 1 1 1 1 1 1 1 55985 1 1 1 149169 114533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205936 1 1 1 1 1 1 1 1 1 1 156614 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@2.0522883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@0.6620753 1 327141 1 1 955755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260482 1 1 990462 1 1 1 1 1 1 1 1 948618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@0.72668797 430500 479234 404125 469814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358409 1 1 1 1 1 56687 1 1 1 1 1 1 1 388833 1 687810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.2195538 1 1 1 1 1 1 1 1 438428 1 1 1 1 438855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169319 1 1 1 1 1 1 1 278730 1 206426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@2.945963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193518 1 1 1 1 1 1 1 1 120.0436 *120.0437* 120.0437@5.7472954 1 1 1 1 1 316053 1 394028 1 1 1 1 1 118594 1 1 1 1 330800 1 1 351520 1 1 1 1 1 1 337471 1 323616 1 1 349368 1 1 325646 438481 1 1 1 1 1 1 1 397694 1 1 1 397051 1 1 332839 303944 1 295858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334186 1 1 1 1 1 1 325686 1 120.0437 *120.0438* 120.0438@6.420092 1 1 1 1 1 82295 1 93534 94105 1 1 1 1 1 1 1 1 1 133835 1 1 110274 1 1 1 1 1 1 1 1 117581 1 1 1 1 1 1 85862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144451 1 1 1 1 1 1 1 1 120.0438 *120.0438* 120.0438@5.7588434 1 1 1 1 1 1 1 1 1 1 1 1 1 153931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0438 *120.0438* 120.0438@1.7280881 1 1 1 1 1 1 1 1 1 1 1 1 338763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0438 *120.0438* 120.0438@5.165946 1 1 1 1 1 1 1 1 1 1 1 1 187412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0438 *120.1355* 120.1355@5.063515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11118 1 1 1 1 1 1 13198 1 1 1 1 1 1 1 1 120.1355 *120.1356* 120.1356@1.6906356 1 1 1 1 1 1 1 8138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23324 1 1 1 120.1356 *120.1358* C4 H16 N4 - 0.9913912 1 12216 1 1 28927 24985 1 10476 27778 26881 24222 25313 10163 1 22821 1 27040 1 23354 22754 31659 26445 21773 21044 1 25139 10083 12622 25561 29453 31738 31808 1 27500 6169 72378 29734 29503 30808 35470 1 26262 1 34308 33919 35650 13545 1 26059 16404 29024 27022 13519 13371 13876 13190 31109 33981 12396 1 1 1 1 1 18249 19624 16561 15910 9716 14163 14653 10831 1 35289 1 29545 32003 31898 1 22309 1 16236 16210 14894 14307 13668 1 27126 36664 1 120.1358 *120.1358* C4 H16 N4 - 5.137865 22442 1 1 11315 11165 24989 10263 13265 28642 16992 1 21193 12833 10848 16232 1 14341 15800 15914 12795 1 11691 1 14669 1 1 18428 1 1 1 16001 16322 1 17607 1 1 18105 14872 1 1 1 1 1 1 17201 14052 1 1 15687 15489 16849 1 1 20523 19758 16730 1 1 17752 18661 1 1 44317 27329 1 16254 19644 18271 1 20575 1 1 1 17947 26486 1 1 1 1 1 18235 16399 18255 1 1 1 1 1 19589 19562 120.1358 *120.1358* 120.1358@0.6732609 1 1 26041 1 1 1 1 1 38779 33780 1 1 1 1 1 1 33480 1 1 1 42841 1 29748 1 1 1 1 1 1 1 36202 1 1 1 1 43371 4782 1 1 1 13476 1 1 1 1 28247 1 32056 45963 43317 1 1 42365 1 26726 1 1 1 1 1 1 1 1 51991 7100 50271 52775 1 1 51052 1 1 1 1 1 1 1 1 1 1 1 46617 1 1 1 1 1 1 43263 1 120.1358 *120.1358* 120.1358@1.3234663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15249 7020 1 1 1 11403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1358 *120.1358* 120.1358@2.9139514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14736 1 1 1 1 1 10448 1 1 1 1 1 1 1 1 1 1 15123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11192 1 1 1 1 1 1 5868 1 120.1358 *120.1359* C4 H16 N4 27985 23461 21081 21243 12131 10672 22678 22204 10346 11222 11334 11550 22444 25468 11290 20155 10319 32707 11946 11930 12846 11771 12256 11529 24006 12500 11900 13217 13559 14622 14224 15294 26849 8288 12404 5169 13887 12756 18649 13379 26611 11114 29734 15023 14723 14956 26609 29070 12470 13340 15046 16100 12494 12827 14462 15294 16899 15984 34178 31972 15079 12861 18773 19558 6968 7583 12133 13427 14757 14987 14016 16109 33361 14050 27163 14253 15112 14428 22259 11757 26636 11399 12855 13864 15090 14763 26959 27286 13437 14844 120.1359 *120.1359* 120.1359@2.0285957 1 1 1 1 1 1 33277 33473 1 1 1 1 55211 51004 51781 51005 1 1 1 1 1 1 51906 51131 20152 1 1 1 1 12040 1 1 45163 1 40692 46708 1 1 1 1 1 1 85871 1 1 1 1 1 1 1 29454 26720 1 1 1 1 1 88247 10547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8255 1 1 24873 26531 1 1 1 29900 1 30642 66736 1 1 1 120.1359 *120.1359* C4 H16 N4 - 5.0224466 10376 36558 1 1 1 10085 1 23172 7619 9578 11519 20775 19705 22050 1 1 1 1 11681 10179 1 1 1 13753 14153 14719 1 11793 1 1 25849 1 29121 26789 45925 43414 15753 1 1 1 1 1 17170 13371 13102 1 1 1 1 15053 13685 13796 1 13309 1 1 1 1 19393 19705 1 15295 1 16377 16224 1 10199 16704 1 16236 52466 1 51930 1 13841 14546 15471 1 16324 1 1 19605 1 51723 26002 29153 14366 1 18147 1 120.1359 *120.1359* C4 H16 N4 - 5.6421413 12991 1 13034 17974 12883 15074 11265 8835 11889 12959 11561 1 16699 15941 10061 1 12382 10268 12822 12913 1 12549 1 12556 1 1 9598 13719 1 1 22245 1 11541 11239 21002 21956 1 13380 1 21563 1 1 22148 13785 1 11639 12775 1 11181 9738 1 1 13736 8550 2272 20913 1 1 1 15678 1 1 1 1 13170 19822 13236 1 1 1 22855 24235 1 1 1 1 1 1 1 14432 23887 10953 1 1 1 1 1 1 8661 23633 120.1359 *120.1359* 120.1359@5.785821 1 1 12821 1 1 13166 1 7490 7343 1 1 1 6031 8620 8160 1 10395 1 10932 1 1 10295 1 1 10095 13598 1 10162 13282 1 24583 13365 1 1 1 11928 1 1 1 1 1 1 1 1 1 1 1 12585 10410 8175 9959 1 12329 8667 1 11360 1 1 1 1 1 16872 1 1 1 1 13858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13365 1 1 1 1 1 1 12915 19801 120.1359 *120.1359* 120.1359@5.7488675 1 1 1 1 1 1 1 1 1 1 1 1 1 14304 9987 1 1 1 13360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12621 1 1 14418 12428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1359 *120.1359* 120.1359@0.6577751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1359 *120.136* 120.136@1.1079986 7595 1 1 1 1 1 1 4090 6714 1 1 7907 3575 1 6356 1 1 1 1 1 6983 12720 1 1 1 1 1 1 1 1 4131 1 1 1 72121 1 1 1 1 1 1 1 1 1 1 9504 1 1 7426 10753 1 1 1 9579 1 1 1 1 6244 1 1 1 1 1 17678 19217 1 1 1 10878 18754 9513 1 1 1 1 1 1 1 1 1 8320 8595 1 1 7006 28065 1 1 1 120.136 *120.136* 120.136@1.2728071 1 1 1 1 1 7983 1 5916 1 1 1 9347 1 1 1 1 1 1 19500 20345 1 25310 1 20434 1 1 1 1 1 1 6790 1 1 3761 1 17680 1 1 1 1 1 1 1 1 1 22446 1 1 10022 21974 1 1 1 19633 1 1 1 1 1 1 1 1 1 1 12346 31171 1 1 1 1 9513 1 1 1 1 1 1 1 1 1 1 6794 1 1 1 1 43072 14241 3460 1 120.136 *120.136* 120.136@6.4300785 1 1 1 1 1 1 1 3711 1 1 1 1 1 1 1 1 1 1 5176 1 1 3457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5677 1 1 1 1 1 1 1 1 120.136 *120.136* 120.136@6.503442 1 1 1 1 1 5847 1 7557 6971 1 1 1 5274 5746 6936 1 1 1 7951 12687 1 7744 1 9795 1 7323 1 1 8809 1 7465 1 9990 8764 1 5638 1 7952 1 1 1 1 1 1 1 7143 1 10342 6875 8262 1 1 1 5809 1 8617 1 1 1 1 1 1 1 1 1 1 7686 1 1 1 16889 1 1 1 1 1 1 1 1 1 1 9431 1 1 1 1 1 1 7755 1 120.136 *120.1362* 120.1362@1.0946693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10365 1 1 1 1 1 1 1 1 120.1362 *121.0452* 121.0452@2.033694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54335 1 1 59523 17245 1 1 1 1 1 12984 1 1 1 1 102124 1 1 1 1 1 1 1 1 1 1 55625 1 1 1 1 1 1 1 1 1 1 1 33674 31331 1 122882 1 1 1 34757 30170 1 58638 1 1 1 28028 1 1 1 1 1 19798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0452 *121.0452* 121.0452@2.9984276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0452 *121.0453* 121.0453@2.912632 1 1 1 1 1 1 1 24442 1 1 1 1 1 6170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8991 1 1 1 1 1 1 1 1 1 1 1 1 44693 1 1 1 1 1 1 32985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0453 *121.0453* 121.0453@0.6818259 1 1 1 1 1 1 1 1 68451 32197 1 1 33073 1 1 1 12885 1 1 1 25018 1 1 1 1 1 1 1 1 29575 1 1 1 1 1 1 1 1 1 1 44230 1 1 1 38102 1 58879 1 1 1 1 1 1 28760 1 1 85754 1 1 1 1 1 1 63100 1 1 1 1 53341 1 45896 1 1 1 38387 1 1 1 1 1 1 1 1 1 1 1 70041 1 83361 1 121.0453 *121.0453* 121.0453@2.0169535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31315 1 1 31674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0453 *121.0454* 121.0454@1.263499 1 1 1 1 1 9645 1 34864 1 1 1 1 32834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41011 22377 1 1 1 1 1 1 1 1 1 7912 22320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50302 1 1 1 1 1 1 1 1 1 31808 1 1 1 1 1 1 29834 1 121.0454 *121.0454* 121.0454@5.1220965 1 1 1 1 1 60200 28724 1 23119 1 1 1 35999 37529 1 1 1 1 10823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36944 1 64963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47330 1 1 1 1 1 1 1 1 1 1 1 1 1 72295 1 1 1 1 1 24728 1 1 1 1 1 1 1 1 44533 1 1 1 1 1 1 1 1 121.0454 *121.0454* 121.0454@5.6666474 1 1 1 1 1 1 1 1 5328 1 1 1 1 1 34350 1 1 38877 9357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10288 1 20857 1 1 1 1 1 1 1 1 1 1 1 1 27725 1 1 1 36879 1 1 1 42159 1 1 1 1 1 1 43502 1 1 1 1 121.0454 *121.0454* 121.0454@1.0220226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52469 33061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14895 1 1 1 1 1 1 1 1 121.0454 *121.0454* 121.0454@1.5939801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4654 1 1 1 1 1 1 6756 1 121.0454 *122.0363* 122.0363@1.4454465 1 1 1 1 5026 11994 13679 26306 1 1 14854 14388 40151 40535 1 1 1 1 4704 4908 1 1 1 1 1 1 1 1 4209 5557 1 1 1 1 1 1 1 1 1 1 27859 29184 1 1 42728 1 5744 1 1 1 1 1 13689 34011 1 1 32560 30950 8472 4748 32787 33577 1 1 4569 10309 1 7777 5378 4364 1 1 1 1 1 4223 1 1 21934 21350 75314 75147 37288 35520 1 1 7246 5763 1 1 122.0363 *122.0365* 122.0365@1.0251353 1 1 1 1 1 1 17578 16078 1 1 1 1 4448 4914 1 24349 1 1 1 1 1 1 19816 1 1 1 1 1 1 2481 1 21166 3569 1 1 1 1 1 6004 5788 3514 1 1 1 4959 4660 3176 1 1 1 5064 4745 3816 3515 3583 1 9636 9196 4381 1 1 1 10165 10056 1 3280 1 1 1 2778 3308 3416 1 1 3396 5001 1 1 4893 4837 5121 5368 4599 4858 7837 1 4811 4733 1 1916 122.0365 *122.0366* Benzoic acid 1 23079 22332 20844 23604 20922 21035 20764 19219 20382 21092 20206 24591 23548 27421 3021 22391 21820 1 43122 23359 20133 2791 22345 24926 22024 15651 21131 20384 21101 22586 3460 14801 1 27185 24891 20502 1 18846 17825 25277 25682 24461 1 15302 1 17276 21130 26963 23298 18307 18572 17718 1 20038 21490 20503 20224 38812 35893 28525 29084 24731 24949 10327 13170 23729 26004 29438 28469 1 31144 24081 24548 22060 26506 25034 26426 30204 28465 31556 30714 1 4573 78412 79039 30302 35421 40303 41879 HMDB01870 C00180 122.0366 *122.038* 122.038@2.049157 6871 13394 1 1 1 1 1 1 1 1 6050 5392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5562 10104 1 1 1 1 1 1 1 1 2895 1 1 1 1 1 1 1 1 1 1 1 1 1 6842 1 1 1 1 1 1 1 4115 1 1 1 4632 6559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 10735 11513 122.038 *122.039* 122.039@2.1299257 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.039 *122.0411* 122.0411@1.1033932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 1 1 1 3117 1 1 1 1 1 2141 1 1 1 1 1 1 1 2580 1 4817 3921 2643 1 1 3012 1 1 3360 2770 1 1 1 1 1 1 1 1 1 1 1 2820 3873 1 1 1 1 1 1 1 4340 3286 4335 3069 1 4028 1 4690 3661 1 1 1 1 6007 3847 1 1 1 1 122.0411 *122.042* 122.042@1.1457694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.042 *122.0436* 122.0436@1.9875679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3248 1 1 1 1 1 1 1 6007 1 1 1 1 1 1 1 1 1 1 1 1 1 5635 1 1 1 122.0436 *122.0462* 122.0462@1.1492919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0462 *122.0569* 122.0569@4.7436247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3420 3917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0569 *122.0571* 122.0571@1.1467843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2537 1 1 1 1 1 1 1 122.0571 *122.0603* 122.0603@1.1440395 1 1 1 1 1 1 1789 1 1 1 2184 1 1 2207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7737 1 4176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 1 1 122.0603 *122.0658* 122.0658@1.144115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4538 1 1 1 4597 1 1 1 1 1 1 1 6124 5696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0658 *122.069* 122.069@1.1193175 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5600 1 1 1 1 1 1 1 1 1 1 1 7227 8559 1 1 1 1 1 1 1 1 1 1 1 4924 1 1 2861 1 1 1 1 1 1 1 13567 14760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.069 *122.0714* 122.0714@3.006558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30823 33563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0714 *122.1076* 122.1076@1.1050167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 2329 1 1 1 1 1 1 1 1 3086 1 1 1 1 1 2453 2559 1 1 1 1 1 1322 3617 1 6675 2193 1 1 1881 1 1 1 1 1 1 1 1 5295 2192 1872 1 1 1726 1 1 1 1 2466 1 1 2527 2114 1 1 2023 2338 1 1 1 1 2813 2850 1 1780 2672 6182 1 1 1978 1835 122.1076 *123.0067* 123.0067@1.5200462 6842 5120 6119 1 9126 7552 9263 8114 9434 6680 3530 1 7723 2103 1 1 4429 1 5749 7228 6640 8300 7526 8532 16293 5331 7915 6139 4782 1 7376 8311 6152 7385 10980 12369 7825 6463 6152 5752 9896 7176 9369 7614 5966 5517 7120 8314 7332 8953 7446 7553 9404 6587 8182 6776 7010 6025 5834 7929 1 1 8647 9071 7593 6294 8283 8080 8803 15324 7864 8667 7430 8485 6574 1 3025 5229 7107 1 1 4638 5792 7111 1 1 1 5278 20511 7763 123.0067 *123.0069* 123.0069@1.5722774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4336 1 1 1 1408 1 1 1 1 1 1 1 1 123.0069 *123.007* 123.007@1.4022378 1 1 1 1 5134 1 1 4788 5981 2077 1 6643 4870 5961 1 1 1 1 4890 1 1 7038 1 4942 1 1 1 1 4095 1 6192 5473 1 3843 1 2166 4928 4851 1 1 1 1 1 1 5817 4191 1 6774 5104 5653 1 1 5973 6517 1 5161 1 1 1 1 1 1 1 1 1 1 5942 7210 1 1 1952 7702 6227 5807 1 1 1 6252 1 1 1 5006 1 1 6315 1 1 1 1 4747 123.007 *123.0073* 123.0073@2.8498697 1 1 1 1 1 1 1 4155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4009 1 1 1 1 1 1 1 1 1 1 1 1 4842 1 1 1 1 1 1 1 9297 4139 1 1 4054 1 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3428 123.0073 *123.0073* 123.0073@0.9351776 2593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4718 1 1 1 1 1 1 1 1 1 4612 1 1 1 1 1 4572 1 1 1 1 1 1 5342 4104 5384 1 4101 1 1 1 5043 1 1 1 1 1 1 5134 2649 4930 1 1 1 1 3220 1 1 1 1 4034 1 1 1 2384 1 1 1 1 1 1 1 6410 1 2036 1 1 2426 4242 1 1 123.0073 *123.0073* 123.0073@2.049403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3838 1 1 1 1 1 1 1 1 1 123.0073 *123.0074* 123.0074@0.917262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0074 *123.0077* 123.0077@0.67069644 1 1 1 1 1 3085 1 1 1 1 1 1 1 1 1 1 1 1 2580 1 1 1 2387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6034 1 1 3721 1 1 1 1 2038 2278 1 2424 5752 1 1 1 4915 1 3313 1 6674 3357 1 1 1 1 5526 6646 1 6988 1606 1 1 2389 2774 2785 4506 1 1 2584 4176 1 1 1 1900 1 1 1 1 1 1 5744 123.0077 *123.0263* 123.0263@1.0924764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9059 7937 1 1 1 1 1 2151 123.0263 *123.0331* 123.0331@1.1106755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4284 1 1 1 1 1 1 8283 1 1 2672 1 1 1 1 1 1 1 1 123.0331 *123.0372* 123.0372@1.3480898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5764 1 1 1 1 1 2011 1 1 1 2634 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 3288 1 1 1 1 1 2451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 2416 1 1 4125 5501 1 1 1 1 123.0372 *123.0378* 123.0378@1.9652267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16072 17689 1 1 1 1 1 1 1 1 1 1 123.0378 *124.026* 124.026@2.847499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.026 *124.0261* 124.0261@1.9852159 1 1 2529 1 1 1 3332 1 2636 1 1 1 1 1 1 1 1 2105 2737 1 1 1 1 1 6894 3634 1 1 1 1 1 1 4519 3321 1 1 1 1 1 1 1 1 1 5004 1 1 1 1 1 6859 1 1 1 4056 1 7262 1 1 3436 1 1 1 1 1 1 1 1 1 1 1 4482 2451 1 1 1 1 1 3331 1 1 1 1 1 1 5128 1 1 1 1 1 124.0261 *124.0261* 124.0261@2.845255 1 1 1 1 1 1 2939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1 1 1 1 1 1 1 1 1 1 5058 1 1 1 1 1 5047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 5287 1 1 1 1 1 4176 1 1 1 1 1 1 1 124.0261 *124.0263* 124.0263@1.0160912 1 4235 1 1 1 1 6401 1 2345 2238 4210 4042 1 1 4082 1 1 1 2800 1 1 1 1 1 1 5242 1 3485 1 1 1 1 1 1 1 1 5125 1 1 2106 1 1 1 1 1 1 1 1 1 1 3170 4250 1 1 1 1 4093 1 1 1 3838 1 2095 1 3669 5065 3846 4301 1 1 5295 5293 1 1 1 5810 4334 1 3087 1 1 1 1 2324 2218 1 4178 3323 1 1 124.0263 *124.0267* Pyrazinoic acid 1 1 2043 4086 1 4566 2077 1 3354 1 2427 5335 3895 3101 1 8564 8525 3138 2747 3444 7193 2545 1 2805 3705 5508 1 4760 3375 1 3872 3853 2157 5498 1 1 2992 1 1 1 2095 1 2360 4626 1 4816 1 1 3068 3527 1 1 1 6236 1 2497 5054 5167 6567 1 1 1 4847 2325 5050 3085 1 1 1 4035 6072 7227 1 4418 4357 4668 1 2012 1 1 1 2599 4395 1 2763 1 1 5518 3307 3977 124.0267 *124.0267* 124.0267@1.6415478 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4180 1 1 1 1 1 1 1 1 1 5894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3142 1 124.0267 *124.0268* 124.0268@0.67380047 1 1 1 1 2644 1 1 1 1 1 1 1 1 1 6691 1 2357 2108 1 1 3184 1 3900 5084 1 1 1 5282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 9441 1 1 1 1 1 3324 1 5258 1 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 2915 1 4457 1 1 1 1 1 1 1 124.0268 *124.027* 124.027@1.35441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 1 1 6380 1 1 1 1 1 1 1 7288 1 1 4877 1 1 1 1 1 2828 1 7981 1 1 5634 5160 1 4336 1 1 1 2521 1 1 1 8484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.027 *124.027* 124.027@2.0230458 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4651 1 1 1 1 1 1 1 6390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.027 *124.0282* 124.0282@1.2871903 1 1 6030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1 1 1 3262 1 1 1 1 5419 1 7234 1 1 1 1 1 1 1 1 1 1 1 8602 2746 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3254 1 6323 1 1 1 7868 6751 1 1 1 1 1 1 1 6601 1 8115 4761 1 1 1 1 1 1 1842 124.0282 *124.0284* 124.0284@1.1178309 1 1 1 1 1 1 1 1 1 1 4345 1 1 1 1 1 3268 1 2626 1 1 2353 1 1 1 1 1 1 1 1 1 1 1 1 3222 1 1 1 1 1 1 1 1 1 1 3505 1 1 1 4478 1 1 1 1 1 1 1 1 1 1 1 1 5129 1 1620 1 1 4663 1 1 4904 1 1 1 1 1 1 1 1530 1 1 1 1 4547 1 3370 1 1 1 6124 124.0284 *124.0402* 124.0402@1.1067009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0402 *124.0448* 124.0448@1.1093345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 2806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0448 *124.0471* 124.0471@0.7215717 1 1 1 1 1 1 1 1 1 1 1 1 6696 7998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5199 4948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0471 *124.0496* 124.0496@0.9739852 1 1 1 1 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10258 9539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5187 4915 1 1 1 1 1 1 1 1 1 1 124.0496 *124.0512* C7 H8 O2 13367 15785 33346 32444 13119 1 19383 18379 25426 31824 13534 11833 1 1 10349 10027 25230 20490 15818 17183 8253 8039 30078 26081 20881 20001 33043 33816 17102 14954 11682 12707 22621 25301 15261 14543 32416 37655 7057 7411 10521 1 9104 8846 31191 34491 11684 8991 22586 21780 19769 16165 7744 7864 12651 14585 17463 18033 8848 7364 1 1 11750 11799 25865 23547 34138 37623 10374 9418 17120 17510 15400 15266 7813 7102 8130 8740 14362 15452 36332 32904 11442 11908 29455 31212 5256 9976 18404 21980 124.0512 *124.0601* 124.0601@3.361327 1 1 1 1 1 1 10841 9215 2586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0601 *124.0849* 124.0849@1.1459032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0849 *124.0882* 124.0882@1.1541572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0882 *125.0142* Taurine 8843 11451 10383 10744 9282 8596 12735 14837 14336 11382 15364 15646 10091 11450 13142 12876 6401 5884 28901 29926 11795 11916 9883 10038 15048 15511 16198 17131 5469 8070 16083 16335 19086 19162 6541 6912 11329 11084 53824 52414 23093 20719 20359 16151 12829 18102 30715 30571 24191 22243 23597 18813 17687 14249 16139 18712 24270 20711 18389 17493 18896 23360 6761 7821 21811 21824 20766 14538 15435 18240 51342 48770 15684 14797 13973 14481 12141 10398 15117 15509 17396 20891 15237 15348 24364 23781 14314 17692 16186 17029 HMDB00251 C00245 125.0142 *125.0142* 125.0142@5.318247 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0142 *125.0167* 125.0167@1.6698811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 4375 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0167 *125.0222* C4 H3 N3 O2 13605 13898 11020 10694 12992 16612 11091 14412 13208 13108 13978 14238 9209 11062 5674 5490 1 1 15116 10020 10018 9011 8488 9922 6394 8230 9483 9719 9285 8915 9224 11727 10013 11964 9867 9902 11763 9904 11256 9094 11246 11914 9954 7969 9001 7605 10480 10832 8268 7596 10071 11243 9493 7378 8755 8281 11981 10241 12213 10879 5772 6084 8451 7509 4359 4317 14401 13018 9616 7389 19084 17487 7939 7697 6112 6663 5414 6587 6748 5826 5794 8176 7610 7438 6680 5836 9143 10969 8757 8564 125.0222 *125.0231* 125.0231@3.506656 1 1 1 1 1 1 3502 1 1 1 1 1 1 1 1 1 1 1 4912 7911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3038 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0231 *125.0253* 125.0253@0.7162588 1 1 1 1 1 1 1 1 1 1 1 1 1 2188 3270 3340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0253 *125.0421* 125.0421@1.9675082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 1 1 1 125.0421 *125.0428* 125.0428@0.72206205 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0428 *125.0457* 125.0457@1.1691114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5105 6450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0457 *125.0458* 125.0458@1.9654977 1 1 1 1 9046 5044 9925 9123 5349 4226 1 2641 6167 4937 3872 4342 1 1 8358 7784 1 1 3152 3630 5337 5031 1 2789 1 2668 1 1 6460 6395 1 1 3952 4105 3150 3970 4987 4261 4460 5738 3037 1 6454 6759 1 4435 8594 10119 5093 4425 1 1 5213 3809 1 1 3874 3618 1 1 4299 4289 8137 8380 4227 6146 10945 6497 4267 3967 1 1 4861 4437 6148 6789 5698 4660 5194 4017 9196 14114 1 1277 1 2399 125.0458 *125.046* 125.046@3.4259799 1 1 1 1 1 1 4688 1 6312 1 1 1 1 1 1 1 1 1 4812 4787 1 1 4474 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.046 *125.0462* 125.0462@1.9090408 1 1 1 1 1 3696 1 3457 2208 4571 4438 1 7152 7032 7887 1 1 1 3762 4391 2234 1 1 5780 5389 7559 3238 1 1 1 1 1 1 1 1 1 1 1 1 1 4540 1 1 1 1 3969 1 3478 4051 1 3532 1 3913 3550 1 1967 1 1 2752 1 1 1 1 1 1 1 5799 6128 3086 2399 1 5318 3696 4234 1 1 1 1 1 1 1 4969 1 1 5466 6687 1 1 2514 1 125.0462 *125.0481* 125.0481@0.73913085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0481 *125.9983* 125.9983@0.9509503 32508 31395 1 1 1 1 4942 5409 1 1 1 1 6187 6788 1 1 1 1 4258 4279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98823 101793 6829 6427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3457 4550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.9983 *125.9985* 2-Hydroxyethanesulfonate 89310 90718 87889 89476 73202 73851 250349 242104 87326 87415 106414 105337 59417 59686 58900 58613 55596 56764 111058 109223 71971 72133 72921 72174 45227 46458 65487 64551 67219 66456 83487 85917 101137 99331 60725 60362 65379 64762 80444 80812 74320 77639 46515 46803 70152 68105 62184 64602 74152 71605 90348 88732 48116 48120 66159 67279 102624 101903 69739 68659 50555 51213 49342 48832 62452 60479 69339 68619 55741 56863 59675 61231 53128 53511 47852 47634 53678 54568 99372 102806 103069 99889 84737 86415 131164 129120 86026 85045 80817 82203 HMDB03903 C05123 125.9985 *126* 126.0@1.0662719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126 *126.0089* 126.0089@1.9621319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1829 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2730 1 1 1 1 3868 1 1 1 126.0089 *126.0246* 126.0246@0.9970697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0246 *126.0262* 126.0262@1.9715661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0262 *126.0306* 126.0306@0.99871045 1 1 1 1 1 1 1 1 3398 3505 1 1 1 1 1 1 1 1 1 2988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0306 *126.0312* 126.0312@0.7110926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0312 *126.0313* Hydroxyhydroquinone 3642 3176 1 1 13235 12917 7006 7126 21169 20331 3114 1 38039 38414 3490 3819 1 1 1 1 1 1 3910 4149 1 1 1 1 1 1 1 1 1 1 9940 9266 1 1 1 1 26795 24283 1 1 8511 9697 10115 2281 20451 21719 1 1 3138 2833 1 1 1 1 9424 10059 17942 14701 7497 6418 17874 17369 6756 6482 1 1 1 1 15450 16395 6767 6947 1 1 6009 6654 1 1 1 1 4768 4340 2956 3233 10562 8863 126.0313 *126.0333* 126.0333@1.9746128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0333 *126.0382* 126.0382@1.9729038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 3130 1 1 2567 2477 2813 1 1 1 2132 2697 2722 2807 2713 1 1 1 2218 2516 1 2238 2882 1 2810 1 2251 1 1 1 1 2311 2118 3096 1 1 2978 2138 1 3710 1 1 1 1 1 126.0382 *126.04* 126.04@1.972454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 1800 1 1 1 1 1 1 1 1 1 126.04 *126.0453* 126.0453@1.9681653 1 1 1 1 1 1 1 7511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0453 *126.0605* 126.0605@1.3930088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 3483 1 126.0605 *126.0617* 126.0617@1.3887997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0617 *126.0659* 126.0659@1.3686043 1 1 1 1 4571 5018 5568 9528 11592 11541 1 1 1 1 1 1 1 1 5284 4568 1 1 8568 7677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7076 6393 1 1 1 1 4376 1 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9968 7477 1 1 1 1 1 1 5172 5707 1 1 1 1 1 1 1 1 1 1 7089 6765 1 1 1 1 126.0659 *126.0926* 126.0926@2.3535235 1 1 1 1 1 1 3485 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0926 *126.1024* 126.1024@1.181036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.1024 *127.0375* 127.0375@2.2614095 1 1 1 1 1 1 1 1 1 1 4028 3631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5148 1 1 1 4455 1 1 1 1 1 1 1 1 1 4544 1 1 10238 9329 1 1 1 1 127.0375 *127.0388* 127.0388@1.349834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3754 4896 1 1 1 1 127.0388 *127.0391* 127.0391@1.8081925 1 1 1 1 1 1 3693 3450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3984 3334 1 1 1 1 127.0391 *127.9116* 127.9116@0.73434126 1 1 4059 4218 4204 4171 5892 6336 5730 5825 5224 5332 3429 2821 2238 1 1 1 9148 8966 7707 8002 4631 4727 2659 3013 9083 9129 1 1 6083 6015 1 1 3616 4547 1 1 2099 2527 4279 4374 2795 3066 1 3291 3819 4281 1 1 1 1 4189 3959 3209 3703 9477 8487 2451 2461 2398 1 2087 1 2767 5317 5420 5618 4375 4710 1 1 1 1 11352 11407 1 1 9500 8131 9484 9859 8721 9684 3605 1 5093 5204 4035 4785 127.9116 *127.9118* 127.9118@0.7583008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.9118 *128.0022* 128.0022@1.9881006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6791 7023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2477 1 1 1 1 1 1 128.0022 *128.0084* 128.0084@5.484155 1 1 1 1 1 1 1 1 2523 2777 1 1 2650 2843 1 2833 1 2566 3403 1 2655 2602 2982 1 3216 3042 2870 2596 2787 1 1 2956 1 1 2863 2719 2907 3081 1 2994 1 1 2724 1 3162 2879 2614 2680 1 2881 2795 2865 3438 2869 1 2799 1 2719 1 1 1 1 2754 2993 3210 1 3298 3169 3105 3341 3077 3495 2879 2728 1 1 1 1 3008 2932 3049 3234 2944 2684 3043 2777 3451 3315 1 2765 128.0084 *128.0473* 6-hydroxy-2-hexynoic acid 1 1 1 1 1 6421 13236 14114 1 11659 5545 5053 1 4377 1 1 3268 3503 7241 7106 1 1 11789 12128 1 1 1 1 1 1 1 1 1 1 3477 1 3869 1 1 1 10057 10713 2774 1 3702 1 6654 6361 1 4245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8045 1 4239 4258 1 1 4075 1 4894 5836 1 1 1 1 1 1 6350 6338 1 1 1 21054 1 1 1 1 128.0473 *128.0475* 128.0475@1.1302599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0475 *128.0482* 128.0482@1.9789622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0482 *128.0509* 128.0509@1.6521559 1 1 6630 1 1 1 7678 6965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7784 9363 1 1 1 1 128.0509 *128.052* 128.052@1.6466637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.052 *128.0523* 128.0523@1.6482115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5523 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3959 4987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 128.0523 *128.0559* 128.0559@1.9841118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7692 1 1 1 1 1 1 128.0559 *128.0562* 128.0562@2.9951334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0562 *128.0581* 128.0581@6.8392615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3449 1 1 1 4721 4567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0581 *128.0582* 4-amino-4-cyano-butanoic acid 1 1 1 1 7203 6749 7041 7634 1 5265 10786 10354 1 1 3574 1 1 1 5304 5690 1 1 4972 5716 1 1 1 1 1 1 5124 5082 6663 6525 5465 4969 3941 4363 1 1 5694 5558 1 1 5625 5166 6385 6994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17703 12777 1 1 7104 4737 1 1 1 1 1 1 1 1 4351 3075 1 1 13467 12836 5971 5452 1 1 C05715 128.0582 *128.0767* 128.0767@1.45914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0767 *128.0818* 128.0818@1.3607411 1 1 1 1 1 1 3388 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3134 3870 1 3436 1 1 1 1 1 1 1 1 1 1 1 1 5910 6617 1 1679 1 1 1663 1 8024 2922 1 1 128.0818 *128.0825* 128.0825@1.4072509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7294 1 1 1 1 1 1 3546 6390 1 1 128.0825 *128.0834* 128.0834@1.1650326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15013 14689 1 1 1 1 1 1 1 1 1 1 1 1 2084 2432 1 1 1 1 1 1 1943 1 1 1 128.0834 *129.042* Pyroglutamic acid 8683 8741 8217 8481 7815 7633 7887 8819 6195 6801 10002 10241 8355 7785 11863 10900 6267 6596 18292 17977 7442 7680 7158 7245 14812 14650 13974 14046 18479 19240 8084 7919 10738 10615 9321 9317 9016 9633 11048 10967 15435 15865 10537 8926 15097 15265 12372 12699 12891 14211 8322 8834 8901 9006 15606 14660 14470 15229 42108 43641 15329 15275 18864 19175 18564 19513 20817 20282 18040 18400 22362 23077 11856 13036 9152 8998 10369 10583 12347 12505 19472 20485 8029 8260 15696 15977 16380 16034 16175 16301 HMDB00267 C01879 129.042 *129.045* 129.045@1.9737017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12083 1 1 129.045 *129.0469* 129.0469@1.5444548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4066 4070 1 1 129.0469 *129.0528* 129.0528@3.7688022 1 1 1 1 1 1 4276 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0528 *129.0568* 129.0568@1.1348965 1 1 1 1 1 1 10038 10645 1 1 6589 6184 1 1 1 1 1 1 1 1 1 1 1 1 9672 11222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11086 11092 1 1 1 1 1 1 1 1 1 1 1 1 12200 11238 1 1 1 1 1 1 129.0568 *129.0779* 129.0779@5.8955364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0779 *129.9666* C3 H2 N2 S2 73082 74315 54449 55078 63928 65745 57889 59196 57629 58598 80005 79538 62813 60981 66958 66841 49717 63805 70984 72566 65781 64205 62768 63258 74178 73168 68183 67780 71413 65886 69887 70569 73220 73893 77101 77708 63627 65819 72091 72138 70989 70761 62941 62515 64882 62179 61176 60157 59250 58459 63540 64033 69582 67677 60061 58535 66084 66894 70743 58816 80021 80763 80094 82540 69914 27758 67419 68455 62376 61313 83625 87092 65364 63419 67513 67908 64222 64957 70669 49858 73776 66434 79244 80756 72945 73211 78878 75179 72864 72561 129.9666 *129.9667* 129.9667@5.578369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14585 1 1 1 1 1 1 1 1 1 1 1 1 5077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11978 1 1 1 1 1 43433 1 1 1 1 1 1 1 1 1 1 1 1 6538 30021 1 6142 1 1 1 1 1 1 1 1 129.9667 *130.026* Glutaconic acid 3145 3135 1 1 3436 3533 4797 4753 3791 3848 1 1 1 1 1 1 1 2473 1 1 1 1 1 1 1 1 1 1 3114 1 1 2450 3641 3542 1 1 1 1 1 1 1 1 1 1 1 1 3375 3277 5136 5241 1 1 1 3413 1 1 2833 2832 1 1 4926 4726 5522 5458 2925 3517 1 1 1 1 1 1 1 1 1 1 1 1 3876 4331 1 1 1 1 3700 3256 1 1 2919 2895 HMDB00620 C02214 130.026 *130.0262* Citraconic acid - 1.7039735 21191 22563 26164 22826 37538 39023 43095 30071 25371 32339 38460 37148 34877 39532 35910 35588 25911 27124 76794 70493 34527 36250 38012 38254 24360 31249 23808 28227 33989 34408 56543 55760 41081 45136 35242 31586 55026 53263 56977 65521 38804 36149 38979 37702 44496 38707 33973 33183 48858 47032 53687 56891 28758 25920 34205 34689 53640 54720 37775 38058 34943 30062 51319 46823 46841 47366 44461 44948 31337 30710 55108 58735 31274 35008 34794 34655 42063 39407 42634 43131 62766 61346 26572 26638 47546 45278 68306 63714 50321 47220 HMDB00634 C02226 130.0262 *130.0262* Citraconic acid - 2.0528214 10908 11839 8679 6393 25588 32230 38087 35943 25953 25434 13925 14071 21253 22887 5992 5103 7356 6182 18055 19707 1 1 18746 20308 10614 10205 9379 9058 13184 13900 5637 5393 28561 28895 11956 14398 9349 16001 26011 20114 28795 31486 9373 8497 16536 16407 22247 24203 13222 12895 9911 1 6534 4998 1 1 7415 1 14322 14055 9707 10503 7859 8540 22550 23117 30878 30655 7695 1 36699 23960 14802 21045 15245 1 16815 10216 12352 14712 29514 1 9968 8578 63345 63533 13990 16443 12881 13892 HMDB00634 C02226 130.0262 *130.0263* Citraconic acid 1 1 1 1 6407 7243 10205 10478 7115 7717 5026 4936 3019 2926 1 1 4009 4250 10235 11239 1 1 12637 12438 3464 3889 1 1 4046 3713 1 1 3366 3870 4604 4690 1 1 1 1 6217 6075 1 1 1 1 6594 7197 4079 4062 1 1 1 1 1 1 1 1 10781 9760 4294 4776 1 1 6549 6894 3440 3768 1402 1 4013 4191 5052 5786 6044 6595 5271 5329 1 1 2805 2830 1 1 11029 12488 1 1 7986 8749 HMDB00634 C02226 130.0263 *130.0267* 130.0267@2.0883458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0267 *130.0267* 130.0267@2.1854353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0267 *130.0269* 130.0269@1.7837929 1 1 1 1 1 1 1 10255 7252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10923 1 1 1 1 130.0269 *130.027* 130.027@3.1030867 1 1 1 18304 22438 3802 1 1 26573 26607 19003 1 1 1 1 1 1 1 1 27795 1 1 1 1 1 1 12165 1 1 1 1 1 1 1 16830 1 1 1 23989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.027 *130.0282* 130.0282@4.3796988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3695 1 1 1 1 1 1 1 1 1 1 1 1 2612 1 1 1 1 1 130.0282 *130.0302* 130.0302@3.1149414 1 1 1 1 1 1 9613 8149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0302 *130.0307* 130.0307@1.9681896 1 1 1533 3183 3871 1 2797 2130 1 1 1 1 5655 5301 4747 1 4325 6471 9474 1 1 1 3989 1 4289 4938 1 1 1 1 1 1 3880 2033 3769 1 5327 1 1 7828 3282 3344 1 1 1 1 1 1 5565 10493 1 13343 5873 4275 11208 11957 1 1 1 1 1 1791 1 8524 1 1 5330 1 1 1 1 8714 1 1 6987 7169 1 5676 1 1 1 1 1 1 1 1 1 1 1 1 130.0307 *130.0354* 130.0354@1.968366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8099 1 1 1 1 1 1 1 1 1 1 1 1 1 8530 7147 1 1 1 1 1 1 1 1 1 12122 1 1 1 1 1 1 1 8124 1 1 1 1 1 1 1 3400 1 1 1 1 1 1 1 8518 1 1 1 1 10066 7169 7312 1 1 130.0354 *130.04* C4 H6 N2 O3 1 1 2192 2444 2176 1725 10010 8886 5822 6472 1 1 1 1 1 1 3074 3325 1 1 1 1 2113 1 1 1 1 1 4174 3567 1 1 9231 9435 1 1 3287 1 1 1 5603 4941 1717 2490 1 1751 1 1 2881 1788 1 1 1 1 1 1 1 1 1 1 6191 5253 1914 1756 4020 4377 1 2581 1902 1836 1 1 2505 2623 1 1 1 1 4684 4662 2999 3065 5729 6081 5034 5929 3703 1 1 1 130.04 *130.04* 130.04@1.9687113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 3239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.04 *130.0432* 130.0432@3.055 1 1 1 1 1 1 1 3827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0432 *130.0444* 130.0444@1.5386333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5215 4497 1 1 1 1 1 1 5728 5390 1 1 3537 4010 1 1 3666 3851 14643 15961 1 1 1 1 9385 8640 3230 3500 1 1 1 1 1 1 1 1 5975 5987 4300 4123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3828 1 1 1 8195 9238 4149 5094 1 1 1 2706 17258 18671 1 1 130.0444 *130.0448* 130.0448@1.2437425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1 1 1 1 1520 1 1 1 2178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3457 1 1 1 1 1 1 1 1 130.0448 *130.0462* 130.0462@1.4014448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 1 1 1 1 1 1 1 1 130.0462 *130.0465* 130.0465@1.975963 3302 4944 1 1 1 1 1 8993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3247 1 1 1 1 1 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6506 1 4462 1 1 1 1 1 1 1 1 1 2925 1 1 1 1 1 1 1 1 5921 6068 1 1 6026 1 8121 1 1 1 3503 1 130.0465 *130.0504* 130.0504@1.9841118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6028 1 1 1 1 1 1 130.0504 *130.0576* 130.0576@1.257 1 1 1 1 1 1 1 4053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0576 *130.0578* 130.0578@2.9457395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4639 1 3996 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 1 4725 1 1 1 1 1 1 1 1 1 1 1 1 10176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24234 1 1 1 1 1 1 130.0578 *130.0606* 130.0606@2.5397425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0606 *130.0615* 130.0615@2.6038604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0615 *130.0616* 130.0616@2.8870685 1 1 4675 6368 7130 1 1 1 1 1 1 1 1 1 1 2420 1 1 2498 2893 1 1 6422 9637 1 1 1 1 1 1 1 1 3081 1 1 1 9139 1 1 1 1 1 4272 11455 1 1 5027 5204 1 1926 1 1656 11885 7343 1 13534 4876 6129 5136 3681 9270 1 1 3993 1 1 5805 1 8716 13422 4367 1 4792 1 1 6739 18129 7777 1 2246 1 1 1 1 3605 9092 1 1 1 1 130.0616 *130.0617* 130.0617@2.909011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 1 1 1 1 1 1 1 1 1 1 1 1 1 3056 1 1 1 1 1 1 1 1 1 11424 1 1 1 1 1 1 4094 1 14861 1 3264 1 1 1 1 1 6162 6685 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 4293 1 1 1 1 1 1 1 1693 1 1 1 1 130.0617 *130.0621* 130.0621@4.0375667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 130.0621 *130.0623* 130.0623@2.3068817 1 25792 1 1 1 1 1 1 1 1 18219 1 1 1 3954 1 1 1 30277 1 1 1 1 1 1 6468 1 1 1 25840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28737 1 31763 28498 1 1 1 1 1 1 14331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25003 1 1 1 1 1 130.0623 *130.0625* 130.0625@1.2850361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14390 16908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7685 1 1 1 1 1 130.0625 *130.0627* 2-Methyl-3-ketovaleric acid 93192 66712 65863 64806 73551 75166 62443 54864 60409 63844 57860 79818 76340 81856 54441 57820 56058 55841 146894 164924 126076 133246 87390 87280 100201 98600 90590 88297 110124 80620 110273 112232 81671 79852 51223 46684 128843 122919 83824 90512 81304 82958 136102 139314 77032 75819 112226 112004 81649 78834 117907 112381 98716 95592 126926 124032 68219 106651 94375 94079 124214 121036 91377 90313 82458 75591 119295 135643 117279 120383 134743 135018 93628 99108 136501 136094 150093 151846 184988 182558 145590 156434 168510 175671 80891 109357 177008 174117 59531 60720 HMDB00408 130.0627 *131.0399* 131.0399@1.9640816 1 1 1 1 1 1 11998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0399 *131.0438* 131.0438@2.0512643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0438 *131.0475* 131.0475@2.0531585 1 1 1 1 1 1 6089 4777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0475 *131.0509* 131.0509@2.0783534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0509 *131.0573* 131.0573@2.0490701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47057 46525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13922 11968 1 1 8554 10992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10008 11324 1 1 1 1 1 1 131.0573 *131.0579* 131.0579@4.804411 1 1 1 1 1 1 5740 5936 1 1 1 1 1 1 1 1 1 1 4406 4380 1 1 1 1 1 1 1 1 1 1 1 1 4202 3794 1 1 1 1 1 1 1 1 1 1 1 3750 1 1 1 1 4532 4580 1 1 1 1 4753 4606 1 1 1 1 1 1 1 1 1 3652 1 1 1 1 1 1 1 1 1 1 6326 6657 5050 4848 1 1 5917 6167 1 3896 4501 4233 131.0579 *131.0644* 131.0644@2.3550513 1 1 1 1 1 1 1 1 1 1 5651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6614 3952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7399 1 1 1 1 1 1 1 1 1 1 1 2047 1 1 1 6444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0644 *131.0684* 131.0684@6.9416485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0684 *131.0729* 3-Methylindole 1 5294 5757 5497 8572 8408 22257 21989 5410 5767 16774 16878 8876 7745 6159 5688 8612 8907 6236 6522 7958 7294 10626 10627 14139 14704 8117 9037 8291 10063 9528 8150 9366 9158 19047 20062 3744 4484 8747 8375 10562 10742 7213 8434 8363 7725 7139 4856 11278 11115 11625 11400 6461 7248 7550 7887 4805 5172 14458 18355 7485 7797 3959 3913 3338 3252 10875 9656 23737 30946 6690 13070 5097 10143 9653 10314 11338 11129 9209 8564 5966 7349 24659 28185 12772 12811 9830 9369 11662 11794 HMDB00466 C08313 131.0729 *131.0729* 3-Methylindole - 1.1832753 18867 13382 8754 9413 9978 9888 43607 48243 13529 12600 8576 8677 9295 10750 7836 7972 15668 14462 15651 14653 13598 12719 12424 11964 16488 18474 12139 10049 10377 8434 16924 19210 15867 16125 16837 16782 5908 7653 13651 13224 9802 12649 10597 8760 8572 8062 9451 9913 11258 12759 16202 15277 8714 8330 5623 5417 12048 10636 1 1 8750 2163 4900 5093 7587 8208 11467 12883 1 1 5960 1 5143 1 9882 10160 11106 12010 6739 9716 7151 4879 12135 1 33817 28752 6743 8067 15675 14656 HMDB00466 C08313 131.0729 *131.0729* 3-Methylindole - 1.2864306 8826 9819 6135 1 7607 8003 26307 22791 10216 8867 4297 4547 5377 4729 4948 5489 1 10821 9176 8901 5901 8023 12955 12115 10362 9170 7772 1 6198 5923 10430 10249 11189 11716 14473 14623 5288 4641 8999 9626 9332 7986 7148 7508 4874 5141 6575 6904 9203 7882 9443 10997 7083 6964 4351 2646 5848 6810 1 1 1 1 1 1 5140 5483 6114 6813 6886 6804 3447 1 3695 3410 6875 6578 8364 7052 4908 4085 4504 5081 5034 5821 25000 28095 1 1 8153 10289 HMDB00466 C08313 131.0729 *131.094* Isoleucine 39620 41658 26673 26800 27275 27625 31298 28888 38387 37307 28291 30366 24099 26181 38130 36116 22436 23753 43199 42521 32792 32592 29025 39823 55533 54109 35416 38902 47422 48955 40370 35265 32442 31790 31502 31528 52064 52619 25317 25112 37483 36132 59358 56494 28873 30723 41183 38551 41605 42080 49259 39872 37870 41550 46310 45138 45938 46496 40960 35767 67144 69336 24496 28439 49649 49229 60423 58853 42592 43077 54345 52133 38702 42388 39308 38582 57339 53652 46853 46515 49337 48052 56790 57761 42421 42303 31597 32811 34624 32780 C00407 131.094 *131.0942* Leucine 81381 81695 60123 57553 52416 51466 54667 55626 73643 74453 61193 61296 51575 50890 68170 67451 38279 39581 83712 84505 66946 67432 50425 44027 90855 92195 74483 72377 86208 85692 42567 50084 60006 60875 56900 59426 96751 96527 52642 53075 61039 62544 106630 110900 62781 66273 79887 81938 81689 77706 55206 68012 73091 72407 76246 74452 96685 96310 83509 85739 118688 113622 44898 44391 98730 97459 98027 98744 87115 89082 104775 105016 74711 73194 78779 80757 115951 115610 90525 95786 87659 86361 119667 116330 83539 83568 58994 57616 68918 72372 HMDB00687 C00123 131.0942 *131.9993* C3 H4 N2 O2 S - 0.9683513 4706 4603 4883 4634 5016 4808 4469 4460 3778 4604 4478 4997 3949 4292 3876 3607 4187 3965 4424 4444 4249 4500 4051 4096 3593 3888 3509 3497 3429 3553 5012 4656 5712 6140 4945 4766 5863 5564 3762 4346 4538 4654 5027 4606 4595 3696 4046 3981 4440 4541 5856 5716 5082 5147 4844 4777 4557 4252 3881 3911 4145 4517 5313 5453 5313 5458 5790 5468 4887 4630 5803 5415 4433 4253 4956 5371 3593 3265 3667 3821 4231 4307 5025 4758 5303 4860 4267 4340 4482 4189 131.9993 *131.9994* C3 H4 N2 O2 S 4000 4246 4925 4931 6233 6644 3939 4174 3694 3963 4575 4634 4358 4438 4266 4127 3682 4293 4823 4364 4258 3887 4086 4214 3937 3983 3272 3845 3798 3921 5134 4987 5443 6034 4857 4774 5259 5421 4214 4573 5177 5250 4368 3979 4646 4672 4031 3576 4692 4720 6301 6265 5723 5542 5717 5450 4741 5379 5687 4883 4403 4125 5476 5522 6202 6330 6105 5504 4714 4818 5995 5702 4477 4809 5450 5225 4125 4333 4571 4643 5073 5047 6576 6593 6155 5820 4436 4974 5095 4937 131.9994 *132.019* 132.019@4.951083 1 1 1 1 1 1 1 4425 1 1 1 1 5170 3771 3398 1 1 1 1 1 1 1 1 1 1 1 8735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2465 1 1 1 1 1 1 1 2416 1 1 1 1 1 1 1 1 3053 1 1 1 2161 1 1 1 1 1 1 1 1 1 3096 1 1 1 1 2723 1 1 1 132.019 *132.0192* C8 H4 O2 - 5.65031 19399 18049 18821 19230 17590 15836 17580 17249 13102 13280 15470 16261 13919 12014 16016 15526 13686 12296 19023 1 14523 17091 13710 14438 14111 11131 16336 15435 14112 14231 10585 9507 1 13438 11875 11467 12466 5524 12966 12134 13206 11887 10843 11371 11121 11163 9127 9089 9994 3789 8659 8335 1 9514 8558 9321 1 1 8396 8222 8671 1 1 6542 1 5125 3417 6882 7282 7964 1 7532 7490 7761 6465 1 7218 7054 1 6267 1 6323 5260 1 1 6926 5493 4828 5919 5750 132.0192 *132.0193* 132.0193@5.4334807 1 1 1 1 1 1 1 1701 4046 1 1 1 1 1 1711 1 1 1 5390 7216 1 1 1 2288 1 1 1 1 1 1 1 1 1 10526 2075 1 4122 2260 1 1 1 7745 4724 1 1 1 1 1 1 1971 5917 1 1 2808 1 1 3297 1 1298 1 2498 1 1 1 1593 1 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 1 1 1 2890 4607 3525 1 2643 1 132.0193 *132.0194* 132.0194@4.8069396 1 1 1 1 1 1588 1 7725 6864 1 1 1 1930 3155 13431 1 1 1 1 1 1 18091 6822 1 1 4781 6959 1 9051 1 4677 1 2954 1 1 4230 9339 2220 1 1 1 1 1 1 1 5631 1 4805 1 1 1 1 1 1 1 1 1 1 3961 1 5497 1 1 1 4700 1 1 1 1 1 1 4402 1 1 1 1 1 1 1 1427 1 1 1 1 1 1 4566 1 1 1 132.0194 *132.0194* 132.0194@4.9040923 1 1 1 1 1 1 1 3397 4581 1 1 1 3092 11904 1 1 1 1 16044 1 1 1 1 1 1 1 1 1 1 1 1 3705 1 1 10566 7250 1 16058 1 1 1 1 1 1 1 3910 1 1 10843 7759 1 1 1 1 1 8359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0194 *132.0194* C8 H4 O2 1 1 1 1 1 11747 1 10869 3989 1 1 1 9013 1 7264 1 1 9054 9266 9264 1 5350 1 6497 9093 9387 9132 1 1 1 1 5868 7822 8247 8447 5110 1 7421 1 5561 3871 6498 5429 1 7954 7432 1 2164 6164 4822 6367 6355 4376 5712 1 4559 6165 4824 1 1 1 1 1 1 6322 6651 6740 7648 1 4408 5916 4659 1 4801 1 2866 3858 3770 4418 5473 1 4954 1 1 1 4283 4413 3998 4563 4705 132.0194 *132.0194* 132.0194@5.2819905 1 1 1 1 1 4953 1 5143 1745 1 1 1 7286 6848 4344 1 1 1 10156 1 1 6495 1 5657 8618 1 1 1 1 1 6449 4661 1 9306 1 1 1 1889 22644 15459 7558 8047 1 1 1 7319 15218 9038 4531 5456 5270 1 4149 1 1 7534 6370 1 5175 6298 5195 1 1 1 1 1 4242 1 1 3850 1 6215 1 1 1 1 1 1 1 1 1 1 1 1 7115 5610 4711 3672 1 2662 132.0194 *132.0194* C8 H4 O2 - 5.8220315 20895 21180 21836 22221 22728 21104 16164 19205 17084 15655 21345 23708 20166 19669 18956 19062 13605 13375 41169 22921 17709 20659 15004 17702 18979 16000 19027 19375 16487 15646 14654 11234 16532 15900 14772 16795 14123 13115 17381 16922 13925 15607 16111 13526 13010 11635 13572 1 12550 12013 11394 12480 9976 13217 10075 1 1 12763 11426 12723 13556 1 1 7920 1 7342 17873 1 9094 8987 1 17785 7717 9551 6177 6418 8538 6251 14412 8642 1 9225 10728 10918 13944 17141 18854 16809 8593 1 132.0194 *132.0195* 132.0195@5.827476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 5489 1 1 12761 1 1 1 1 1 1 1 2046 1 1 1 11806 1 1 1 1 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0195 *132.0196* C8 H4 O2 - 5.7462993 27756 26459 22181 21495 22218 20722 17667 16021 15508 15955 21473 18759 15779 14922 16005 16836 14533 13501 1 22156 16318 17425 12607 15159 15034 13503 16405 16682 1 16327 9587 10729 14358 15989 12434 13100 13739 13129 14523 13727 12078 13003 7393 11113 11620 12783 1 11694 9627 10366 10371 10335 10780 9056 10580 18318 1 1 9878 1 4363 1 1 1 1 1 7825 9325 9956 9687 1 5157 8388 8899 6389 1 8071 8035 3438 3876 1 1 1 8189 1 1 1 1 3932 14330 132.0196 *132.0364* 132.0364@1.9692227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9433 1 1 1 1 1 132.0364 *132.0415* 132.0415@1.9660408 1 1 1 1 1 1 7846 4727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0415 *132.0418* 132.0418@1.6709263 1 1 1 1 1 4217 2789 1 1 1 1 1 3614 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20660 1 9187 1 1 1 1 1 1 1 1 1 1 1 1 7670 1 1 1 1 8295 1 1 1 1 1 132.0418 *132.042* Dimethylmalonic acid 1 1 1 1 2934 2317 5459 5480 1 1 5876 5238 3070 3964 1406 5724 1 1 7425 5553 1 5205 1 1 4668 3060 1 1 7187 7557 3005 1 2336 3629 1 1 1 1 4223 13788 1 3090 1 3077 66617 66247 7170 5704 1 6687 9643 9012 5837 8592 1 4090 6437 8111 6728 4952 14230 13112 3532 1 3002 23642 2413 10450 6743 6278 6535 1 3818 5497 4640 4618 5996 5369 11385 2558 10146 9953 10663 11360 3189 11409 1 18700 7640 4359 HMDB02001 132.042 *132.0694* 132.0694@1.9791714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3311 1 1 1 2440 1 1 2649 1 1 1 1 1 1 1 1 1 1 1 2306 1 1 3841 1 1 2509 2122 4617 4366 1 1 2677 1 132.0694 *132.0763* 132.0763@1.9757757 1 2026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1 1 1 1 5255 1 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3076 1 1 1 1 1 1 1 1 132.0763 *132.0771* 132.0771@2.8207808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0771 *132.0779* D-Leucic acid 10535 10842 9851 10347 14177 15597 20397 19486 8967 11059 17443 16239 12333 12084 11543 12296 10313 7475 18853 20562 13191 14175 10511 10834 12989 13827 12990 12672 24946 27168 16162 17483 21051 21079 12603 12170 18948 19000 20246 19989 12051 11118 9115 9388 21939 21112 14368 14768 18385 19243 22322 22354 11199 10245 13109 12906 19171 18332 20542 20225 11329 12063 29134 1 14479 15475 15083 15223 8649 9815 11091 12102 15346 14411 23655 23361 21463 19063 19425 20927 28217 28902 16908 17562 23784 23725 26498 26621 14279 13758 HMDB00624 C03264 132.0779 *132.9128* 132.9128@2.9065878 1 1 1 1 1 1 9131 10817 1 1 1 1 1 13659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9128 *132.913* 132.913@2.0132313 1 1 7409 1 1 1 1 1 6130 1 1 1 1 1 1 1 7180 1 1 1 6969 1 1 1 1 1 1 5647 5430 5458 6817 7094 1 8050 1 1 1 6206 1 1 1 1 10474 8241 5809 1 1 1 4657 1 1 1 1 4165 5521 1 1 1 1 1 1 1 5142 1 1 1 1 1 1 1 1 1 1 6879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.913 *133.0503* 133.0503@0.8374305 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0503 *133.051* 133.051@3.0404253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5222 1 1 1 1 1 1 1 1 133.051 *133.0514* 133.0514@3.0312953 1 1 1 1 1 1 10152 9571 1 1 8259 6632 6558 6676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7049 4254 1 1 1 1 1 1 1 1 1 1 3094 6953 1 1 1 1 1 1 8866 8605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9111 8934 1 1 4860 6464 1 1 1 1 1 1 1 1 12319 7699 1 1 1 1 1 1 1 1 133.0514 *133.0516* 4-Hydroxybenzyl cyanide 13671 13648 8241 6342 7566 7430 21458 23496 6433 5927 4166 4511 7956 8127 6234 5830 6588 7257 7204 7361 4773 4845 4025 4448 11246 10703 7551 8655 12365 10542 3254 3177 18067 17495 13375 13168 11194 12908 6923 8267 9354 9504 10797 9578 9561 11494 8090 8348 8712 7600 7705 8894 8699 8210 3814 4301 11213 12528 4093 4128 9581 11587 3798 1 10158 10164 3609 8212 5535 4995 4226 3728 4678 4635 5517 5423 8705 8534 20447 20196 13066 12850 11334 10887 5857 7341 5444 6369 13659 13223 133.0516 *133.8932* 133.8932@2.8459098 1 1 1 1 1 1 1 1 3857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.8932 *133.8997* 133.8997@2.9549952 1 1 1 1 1 1 1 1 1 1 1 1 1 2610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 2225 1 1 1 2106 2481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.8997 *133.9044* 133.9044@2.8852632 1 1 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 1 2853 1 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9044 *133.9049* 133.9049@2.9203653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9049 *134* 134.0@0.98688686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4737 4747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134 *134.0517* 134.0517@1.9649701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0517 *134.0569* 134.0569@1.9637486 1 1 1 1 1 1 1 1 1 1 1 1 1 6111 1 1 6330 1 1 1 1 1 13119 1 1 4172 1 1 1 5761 1 1 1 1 1 1 1 1 1 3225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 1 1 1 1 1 1 134.0569 *134.0694* 134.0694@0.787467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0694 *134.0719* 134.0719@0.752227 1 1 2763 1 5141 5579 3974 1 1 1 1 1 2957 1 1 1 1 1 9960 9228 1 1 5761 6025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5509 6962 3598 4869 1 1 1 1 1 1 1 1 1 1 1 1 4280 4591 6092 5808 1 1 1 1 1 1 1 1 1 1 7265 7353 1 1 1 3966 1 1 4303 4303 4021 4303 1 1 134.0719 *135.0039* 135.0039@1.1086736 8390 7780 1 1 1 4916 5413 4991 1 1 7480 10071 8304 5757 6214 3704 6188 5737 20062 21244 4338 7891 10394 10836 11641 10165 6688 8286 24767 23005 4951 3009 10508 6924 8378 8264 1845 1 4022 4756 7938 10578 2322 4859 7505 6152 1 6830 1 1 9489 10115 1 2900 4959 6281 1 1 4454 3676 7778 9298 1 1 5134 1 5321 5851 3336 4109 6687 8107 1 1 1 1 3076 5837 5277 5352 11016 8389 6710 4107 10827 6871 6242 4824 1 1 135.0039 *135.006* 135.006@2.0676355 1 1 1 1 1 1 1 1 1 1 1 1 4107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.006 *135.0064* 135.0064@0.6727612 6890 1 7931 10449 1 2830 1 1 6291 5122 8669 11204 1 7204 4459 1 1 5417 8586 9222 7196 1 10889 11707 9418 1 2801 1 8590 9685 1 2700 2152 3758 1 5778 2484 6410 2269 1 1 3126 1 6802 7276 6683 10589 2879 1 3107 11064 3996 4116 6184 7383 3727 5163 5948 7826 9566 1 6204 1 1 8458 10820 5062 11109 1 1 1 1 1 2905 6749 2768 1 1 8250 4516 1 1 4715 4637 12051 1 4089 9458 3831 11905 135.0064 *135.0066* 135.0066@1.0309047 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 3445 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 14341 1 1 1 1 1 1 1 1 1 1 1 1 1 2405 1 1 1 1 3184 1 4762 1 1 1 1 1 1 1 1 1 1 1 4777 5835 1 1 1 1 1 1 1 5024 1 1 1 1 1 1 1 1 1 6094 3846 135.0066 *135.0067* 135.0067@2.8392503 1 1 1 1 5114 1 1 1 1 1 1 1 1 1 1 5105 1 1 1 1 1 1 1 1 1 5312 1 1 1 1 1 1 1 1 1 1 1 1 1 3354 1 1 1 1 1 1 1 1 1 1 1 1 1 3066 6145 3019 1 1 1 1 1 1 5066 1 1 1 1 1 1 4205 1 1 1 1 1 1 1 1 4421 2803 1 1 1 1 4298 2830 1 1 1 3316 135.0067 *135.0067* 135.0067@0.71410155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0067 *135.0069* 135.0069@1.5687081 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0069 *135.007* 135.007@2.9633524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.007 *135.0076* C4 H6 Cl N O2 1 1 1 1 1 1946 1 1 1 3968 1 1 1 1 1 5527 1 1 4506 4899 1 1 1 4547 1 4347 1 4479 1 1 1 1 1 1 1 4627 9507 10413 1 4944 1 1 4191 1 1 1 1 4251 1 2955 4397 4419 5771 5567 1 5802 5455 5501 2459 1 1 1 7017 7274 3858 1 1 4750 1 4589 4570 5252 1 1 1 1 1 4781 4787 1 1 1755 1 6338 1 5504 5697 1 5519 1 135.0076 *135.0118* 135.0118@1.0734698 1 1 1 1 1 1 1 1 7639 5604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 3085 1 1 1 1 1 1 12199 13803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0118 *135.0654* 135.0654@3.1130939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0654 *135.0675* N-Acetylarylamine 54906 55308 90814 87142 104435 103857 215068 211864 37778 38617 154135 156833 148840 142397 38953 39394 47982 52165 85542 83589 27048 27032 26603 25007 70340 70484 28922 28902 153568 149258 20435 19492 96630 95265 71801 72425 45528 48890 20289 20707 145272 149133 29869 31525 54539 55363 66147 64098 187125 187172 8416 27710 13865 12943 42233 44587 15404 14533 18717 19725 93617 89855 33660 33907 98216 99454 194982 191649 53123 50494 115053 118389 40826 43110 39297 37865 50647 55635 34010 37131 258113 261901 13217 11249 95050 93086 21965 23517 54144 53355 HMDB01250 C02558 135.0675 *135.0675* 135.0675@3.0529594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0675 *135.897* 135.897@1.6664343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9915 1 16076 1 1 1 9903 1 1 1 135.897 *135.8984* 135.8984@4.2791576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4131 4129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.8984 *135.8987* 135.8987@2.229066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.8987 *135.8988* 135.8988@2.1234071 1 178155 1 1 1 35615 1 37842 36300 1 1 1 1 29818 38461 1 1 1 1 1 1 30895 1 1 46191 1 1 1 1 1 1 1 1 1 1 1 1 11578 1 1 1 1 1 1 1 4774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174248 190512 1 174332 192166 1 138063 1 1 11430 1 1 1 1 1 145356 1 21249 135.8988 *135.8993* 135.8993@2.050459 231913 8224 170704 189289 175314 184098 183940 192822 188626 155854 175538 168848 205553 168402 174151 155519 178317 225174 223654 230981 235060 177142 188818 219760 181308 216225 170653 173958 181403 177013 195355 213240 184691 186143 200488 226155 135170 177607 153395 199973 184209 179727 197912 189420 178333 157766 183683 209800 158035 177885 204606 199644 170133 194653 152704 181066 191275 175767 175243 189909 156706 179553 102376 202659 186881 184190 185414 177291 187021 181685 192365 163617 1 1 171130 1 1 174844 1 181267 144217 182072 131893 182805 201803 107628 111504 1 207983 171803 135.8993 *135.8999* 135.8999@1.8945415 1 7134 1 7611 1 6860 6316 4199 5054 1 8822 7658 1 1 1 1 1 1 3846 1 1 5051 1 8850 1 1 6178 1 1 6152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4773 6430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.8999 *135.9001* 135.9001@0.6454832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9001 *135.9006* 135.9006@1.1520778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12118 1 1 12669 1 1 1 1 1 1 1 1 14311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9006 *135.9007* 135.9007@1.6540388 27287 23586 51575 23655 31033 24075 20853 45643 51440 48763 47804 17613 51358 21966 19887 50126 52364 30056 41211 30322 1 38256 53095 33747 30930 37259 38887 40806 29447 33367 1 18725 21970 1 1 17292 18780 14302 1 12856 12730 19654 17580 1 1 1 1 13254 17216 19107 14387 12711 25088 14546 12567 5623 16502 17320 11428 1 6739 17858 20823 28960 1 13220 15278 19342 20302 18048 13422 1 1 18527 5526 18385 9988 14946 1 1 1 1 1 12958 1 1 1 1 1 1 135.9007 *135.9008* 135.9008@1.4625149 18230 18165 12315 13101 17149 18420 23264 23687 17345 18678 15781 23443 13298 20300 13036 26732 18395 15186 1 15910 19728 16118 23520 1 22881 14410 11773 11715 10258 13762 1 10690 9005 1 1 1 1 4831 1 1 9804 8304 1 1 1 1 12351 6744 1 7056 1 6975 1 7135 4913 1 1 1 11124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9008 *135.9008* 135.9008@1.4308463 1 1 1 1 9247 1 1 1 1 19986 1 1 1 1 21762 1 1 1 1 12040 1 16611 1 1 1 1 19957 1 20587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9008 *135.9009* 135.9009@0.66991895 45874 60781 48842 63098 59439 40197 49738 42569 70125 54071 39198 41299 56583 62187 40764 51594 48372 62334 47271 35725 29129 30906 45468 46698 45740 50085 49227 48484 42003 48591 1 35816 42289 21660 18983 27549 25499 35673 36106 46063 31216 32765 53372 45336 56122 29671 37619 39766 43977 33490 35449 40330 13605 39197 28125 17534 40107 45871 34053 33732 37152 22547 30874 22978 30503 36301 39970 26564 45867 32275 38058 22666 21605 30901 25414 23314 13443 24205 20913 27811 24562 27124 39030 30650 32039 38879 42645 43721 46255 35243 135.9009 *135.9009* 135.9009@1.5872986 1 1 1 8227 21863 12910 21715 1 1 1 1 17899 1 12381 13706 1 1 13641 1 8199 1 1 1 1 13111 1 1 1 6342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9009 *135.901* 135.901@2.8661466 1 123872 1 1 1 107150 141782 160874 78217 84714 1 1 19371 41983 39831 1 1 35670 45510 1 1 180982 1 1 1 135235 1 1 1 1 38157 1 78204 97936 1 51282 1 47002 1 1 79510 1 1 1 1 77968 28441 1 34141 92567 36501 1 1 80078 1 1 1 1 139536 1 1 1 140430 87373 121836 108121 1 1 1 102861 101496 1 1 1 1 1 1 15725 63009 1 88323 98184 1 122456 81268 1 1 87309 29968 1 135.901 *135.901* 135.901@3.6024365 1 1 1 1 1 1 1 1 1 1 1 1 6964 2886 1976 1 1 1 4195 1 1 1 1 1 1 1 1 1 1 1 2826 1 1 1 1 5848 1 1 1 1 1 1 1 1 1 5209 1 1 1 1 1 1 1 5116 1 5866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.901 *135.901* 135.901@3.7007158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3662 1 1 1 1 1 1 1 1 1 5779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.901 *135.9011* 135.9011@3.148672 1 1 1 1 1 23961 1 48629 17471 1 1 1 56346 22653 5876 1 1 1 10093 1 1 1 1 1 1 1 1 1 1 1 10238 1 1 1 1 13802 1 4857 1 1 1 1 1 1 1 6589 1 1 14964 19582 1 1 1 3199 1 5256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 135.9011 *135.9011* 135.9011@2.7907348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23274 1 135.9011 *135.9012* 135.9012@0.9242831 75685 39477 106834 88435 81623 89448 45091 44150 86391 80710 72647 85973 89508 91027 79730 89926 107091 107473 96536 81673 49427 55531 61548 59741 53103 75166 103195 98567 20279 65716 40322 65486 44277 32199 51649 50230 44311 50167 60446 78291 47750 46317 60492 68342 75800 56535 70477 68823 76349 62329 58453 57469 52415 75376 53240 48549 44092 45225 46377 52624 65101 64618 22350 22170 52042 49838 58587 47861 52758 48949 47907 48314 66019 52446 62637 50478 58628 46166 47161 43895 50272 52978 46515 45506 49312 54555 64899 70961 63663 59006 135.9012 *135.9012* 135.9012@3.4744759 1 1 1 1 1 6932 1 12306 1 1 1 1 1 33729 6098 1 1 1 2583 1 1 2857 1 1 1 1 1 1 1 1 6158 1 1 1 1 3453 1 1 1 1 1 1 1 1 1 3803 1 1 1 14669 1 1 1 3469 1 5768 1 1 1 1 1 1 1 1 1 1 5683 1 1 1 16972 1 1 1 1 1 1 1 1 1 1 4323 1 1 1 1 1 1 10046 1 135.9012 *135.9012* 135.9012@0.843383 1 11063 1 17947 1 1 1 1 1 12160 13227 1 1 1 16781 13556 1 1 1 16474 1 31432 18745 24306 17938 17785 1 1 61179 26173 7728 20035 7589 1 10933 1 13803 16480 17370 1 13144 11670 11639 1 1 14491 8654 10889 1 12052 7609 9476 19341 1 11837 17342 9015 16412 7514 1 11895 1 16475 22754 1 1 1 8631 8629 6524 10766 10162 1 13015 1 13670 1 7252 1 1 7999 5878 7625 12406 5729 5344 8331 1 9796 12422 135.9012 *135.9012* 135.9012@3.2216175 1 1 1 1 1 1 1 1 12973 1 1 1 1 1 4654 1 1 1 4847 1 1 1 1 1 1 1 1 1 1 1 6138 1 1 1 1 10827 1 1 1 1 1 1 1 1 1 12067 1 1 1 1 1 1 1 8278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9012 *135.9013* 135.9013@2.678318 1 1 1 1 1 1 1 7815 25992 1 1 1 1 1 1 1 1 1 1 1 1 11119 1 1 1 1 1 1 1 1 20102 1 1 1 1 1 1 8173 1 1 1 1 1 1 1 1 1 1 1 12708 35729 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7871 1 1 1 1 1 1 1 1 1 1 9203 1 1 1 1 1 1 4648 1 135.9013 *135.9013* 135.9013@2.9913635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40336 1 1 1 1 1 1 1 1 1 24391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9013 *135.9014* 135.9014@3.3915956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.9014 *136.0156* 136.0156@0.85994035 6863 6529 8668 7852 8572 13043 27269 24835 1 5936 6705 11319 12626 10912 11135 8984 1 6517 9827 10884 8473 1 9089 11351 1 1 9807 9710 5500 4671 8321 8702 9056 6661 26122 23752 6710 1 7468 6191 11015 11450 1 1 38041 36911 19719 17111 14173 10559 13322 14262 10159 8918 8205 7483 6391 7937 9338 9774 5471 9618 4794 5041 18992 23022 6648 5526 7929 1 21148 15582 1 1 4138 9472 1 1 23735 25520 10067 11316 24060 21837 14317 18922 9314 6357 8054 12599 136.0156 *136.0168* 136.0168@0.96722233 1 1 1 1 1 1 10570 13499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4596 4157 1 1 1 1 1 1 1 1 1 1 4213 1 1 1 1 1 1 1 1 1 1 1 1 2481 2149 4004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3369 1 1 1 1 1 1 5477 1 1 1 1 1 1 6234 5179 4018 3892 1 1 3825 1 1 4177 1 2252 136.0168 *136.0188* 136.0188@1.017259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3867 3247 1 1 1 1 1 1 4419 1 1 1 1 1 1 1 1 1 1 1 136.0188 *136.0384* Hypoxanthine 49528 46834 43458 45930 1 1 22073 23469 51604 51481 66693 65293 61312 56676 48213 45378 42784 43360 31521 31439 136038 140181 37923 41972 57710 58237 35285 35478 26509 25891 26852 28565 10965 12200 51377 54320 49166 50013 29814 26768 1 1 14808 15284 17891 17928 22963 22819 1 1 108249 108957 87168 84859 23608 21524 113154 114528 1 4983 135084 133970 37316 37282 1 1 1 1 1 1 107259 108752 1 1 47937 46547 45853 44200 179271 185414 113120 118160 109675 113147 60349 57029 31075 30236 19307 18899 HMDB00157 C00262 136.0384 *136.0397* 136.0397@2.7101626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4306 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0397 *136.0448* 136.0448@1.0974785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0448 *136.0461* 136.0461@2.9871204 1 1 1 1 1 1 1 1 1 6596 1 1 1 1 1 6254 1 1 1 1 1 1 3525 1 1 1 1 1 1 1 1 4098 1 1 1 4575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4929 3843 1 1 1 1 1 1 136.0461 *136.0482* hydroxyurea 3708 3338 3650 3540 1 1941 4031 2737 2851 3182 1 3442 4100 2326 3673 1797 1 1 2633 1 3153 3205 1 1 3890 1 1 1 1 1 2724 2874 1 1 3756 5442 3007 1977 3189 1 2698 2412 3622 4602 1 2414 2027 2495 3453 3332 2373 1 2934 3743 4465 3464 3514 1 2702 2438 3715 2870 3600 3722 1 1 4148 2925 3835 3783 4982 3959 3950 2640 3370 3858 2330 2410 3489 1 3531 3024 3957 2802 3175 2801 2449 3174 3050 3530 C07044 136.0482 *136.0504* 136.0504@2.9556065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0504 *136.051* 136.051@0.7171083 1 1 1 1 8761 9127 5351 5404 7097 8734 3815 4286 1 1 1 1 1 1 1 1 1 1 3924 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6074 5934 1 1 1 1 4762 6935 1 1 1 1 1 1 1 1 1 1 4690 4444 4553 4050 1 1 6203 4995 4453 2595 1 1 1 1 9782 9727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3432 4103 136.051 *136.0518* 136.0518@2.5448432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110395 6692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 3489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99008 103119 1 1 1 1 1 1 1 1 136.0518 *136.0603* 136.0603@3.0315042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0603 *136.0683* 136.0683@3.0075667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0683 *136.0872* 136.0872@1.2454916 1 1 1 1 1 1 1 1 1 12220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4455 1 1 1 1 1 136.0872 *136.0883* 136.0883@1.148238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0883 *136.9003* 136.9003@0.7038527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.9003 *136.9013* 136.9013@2.021319 1 4538 1 1 1 1 1 1 1 1 3677 1 1 1 1 1 1 1 1 1 1 1 1 1 9500 1 1 1 1 3319 1 5705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3852 1 1 1 1 3233 1 1 5628 3375 1 1 1 1 1 1 4340 1 1 1 1 1 1 1 1 1 1 1 4224 2152 1 1 1 1 1 1 1 1 1 14401 1 1 1 1 136.9013 *136.9014* 136.9014@2.8699825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 1 1 1 1 1 5536 1 1 1 1 1 1 2600 2054 1 1 1 1 11603 1 1 9472 5277 1 1 11595 1 1 1 4412 1 2497 4099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8506 1 3905 1 1736 1 2894 1 1 1 1 1 1 7057 1 1 4610 136.9014 *136.9017* 136.9017@2.8178742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1736 3632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5891 136.9017 *136.902* 136.902@0.9269226 1 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.902 *137.0454* 137.0454@2.0798237 7986 7060 1 1 1 1 1 1 1 1 5660 6614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7287 8131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8418 1 137.0454 *137.0821* 137.0821@3.0674796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5748 1 1 1 1 1 1 1 1 1 1 137.0821 *137.8885* 137.8885@1.9406399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2767 1 1 1 1 1 1 1 1 1 1 137.8885 *137.894* 137.894@2.0827343 1 1 1 1 1 1 1 1659 2583 1 1 1 1 1 8396 1 1 1 4683 1 1 1 1 1 1 1 1 1 1 1 2118 1 1 6411 1 12073 13079 1527 1 1 1 1 1 1 1 3840 8164 1 17016 1 1 1 1 1 18229 1 1 1 1 1 1 1 38729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20839 1 1 1 1 8067 1 53985 1 1 1 1 137.894 *137.8953* 137.8953@2.2688503 1 1 1 1 1 1 1 1 12242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2792 1 1 1681 3261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5653 1 137.8953 *137.8978* 137.8978@1.6121688 9737 8126 1 3989 12149 12059 1 4147 3719 6519 5523 1 1 13786 12748 6177 1960 3712 1 5755 1 5176 7199 7870 1 1 1 1 4416 7572 1 1 1 1 7994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7345 1 1 1 1 1 1 1 1 1 1 1 1 1 8807 1 4083 1 7882 1 1 1 1 1 1 1 1 1 1 1 1 137.8978 *137.8978* 137.8978@0.6913848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8978 *137.898* 137.898@1.317979 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 1 4425 1 1 1 4729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.898 *137.8981* 137.8981@2.9215393 1 1 17569 1 1 1 1 1541 5775 38748 1 1 13739 1 1 1 1 1 20722 37475 26339 1 1 1 1 1 1 1 1 1 1928 1 1 6881 14460 5515 1 1 1 1 1 18372 1 1 23252 3106 1 1 7880 1 4381 30760 29892 4680 1 1 1 1 1 37128 1 1 1 1 1 1 12014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31103 39532 1 27464 24825 137.8981 *137.8983* 137.8983@0.82206875 1 1933 1 1 9289 2229 1 1 10218 3315 4404 4982 3590 3936 5886 4860 7478 1 4657 1 8440 7573 5980 1 10475 1 5555 4924 6066 1 1 1 1 1 1 8376 1 1 1 3935 1 3557 1855 2437 4305 1 1 1 1 3179 4363 1 1 5047 4060 8843 1539 1 1 1 1 1 1 1 1 1 2664 1 4447 4152 1 1 2095 1 1435 5326 4614 3704 1 1 1 1 1 1 2838 1 1 1 1 1 137.8983 *137.8983* 137.8983@0.93672264 1 19175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5192 1 1 1 1 1 1 1 1 1 1 1 1 137.8983 *137.8985* 137.8985@3.486468 1 1 1 1 1 1 1 3337 4351 1 1 1 1 4514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 1 2083 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8985 *137.8985* 137.8985@2.8298066 1 1 1 1 1 1 1 1 15707 1 1 1 22652 1 1 1 1 1 1 1 1 1 1 1 1 1 8059 13439 9344 1 14808 6578 11722 9671 27499 4919 1 1 1 1 1 1 1 1 1 12041 1 1 26639 1 1 1 1 16143 1 5501 1 1 1 1 1 7479 1 1 1 6127 1 1 1 1 1 1 11267 1 1 1 6958 1 1 1 1 1 1 1 1 1 1 1 1 11990 137.8985 *137.8987* 137.8987@3.334505 1 1 1 1 1 1930 1 2057 8479 1 1 1 5549 4509 1 1 1 1 3880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 1 3135 1 3313 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 137.8987 *137.8987* 137.8987@3.5901456 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8987 *137.8988* 137.8988@2.7302165 1 1 1 1 1 1 1 1 1 1 1 1 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.8988 *138.0031* 138.0031@1.1055664 1 1 1 1 1 1 1 1 6601 4341 1 1 1 1 1 1 8097 8328 2002 1 1 1 1 1 1 1 1 1 1 3547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0031 *138.0089* 138.0089@0.65968096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4481 1 1 1 1 1 2438 1 6930 1 3625 5010 1 1 1 1 3611 1 4388 1 1 1 1 1 1 1 1 1 1 1 1 1 4257 1 2481 1 1 1 1 3798 1 1 1 1 1 1 1 138.0089 *138.0089* 138.0089@2.047984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2395 5556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7663 5858 1 1 1 1 5933 1 1 1 138.0089 *138.0123* 138.0123@0.66937286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 1 1 1 1 138.0123 *138.013* 138.013@1.1135625 1 1 1 1 1 1 2492 1 1 1 1 1 1 1 1 1 1 1 1 5414 1 1 1 1 1 1 1 1 6249 2677 1 1 1 7328 1 1 1 1 1 1 1 3507 1 1 1 1 1 1 1 1 1 1 4716 1 1 1 1 1 4770 1 1 1 1 1 7137 7379 3466 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 138.013 *138.0138* 138.0138@2.056877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4627 1 1 5392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0138 *138.0144* 138.0144@1.1134161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0144 *138.0154* 138.0154@1.5547168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3006 1 1 1 1187 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4516 1 1 1 138.0154 *138.0168* 138.0168@1.5521528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0168 *138.0187* 138.0187@1.162597 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3577 1 5435 1 1 1 138.0187 *138.0193* 138.0193@2.044231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0193 *138.0221* 138.0221@1.3636769 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 5065 1 1 138.0221 *138.0229* 138.0229@2.0260298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7579 1 1 1 1 1 1 1 1 1 1 1 1 1 5584 2078 1 1 1 14758 1 1 1 1 1 1 1 1 11855 4763 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0229 *138.0237* 138.0237@0.9932433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2420 1 1 1 1 4717 1 1 1 1 1 1 1 1 1 1 1 1 3493 1 2188 1 1 4022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 1 1 1 138.0237 *138.0265* 138.0265@1.9731162 1 1 1 4581 1 1 1 1 1 1 1 1 1 1 1 5058 1 1 1 1 1 1 1 1 4647 1 1 3593 7724 3563 5805 3371 8238 8285 1 1 1 1 1 1 1 1 4104 1 1 1 5686 5364 1 3458 4461 5017 3678 4670 1 1 1 1 1 1 1 4724 1 7020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0265 *138.0271* 138.0271@1.3371367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 3462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0271 *138.0275* 138.0275@4.043138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0275 *138.0303* m-Salicylic acid 3811 3700 1 1 6746 8210 8253 7582 3171 4101 5085 4863 2967 2596 4165 3875 5987 6045 4845 5713 2836 1 1 1 1 1 6459 5132 2482 1 4662 4290 7318 7055 1 1 2882 1 4591 3245 2368 2665 1 1 2896 3945 1 1 1 1 5569 5136 1 1 1 2776 7747 8056 1 1 2934 2861 1 1 4677 5966 3740 3341 1 2929 3986 3374 3302 3468 1 1 3452 2961 6349 6996 1 1 1 1 7221 5445 1 1 1 2764 138.0303 *138.0308* m-Salicylic acid - 0.9199291 14380 11623 3139 1 17868 17955 28525 29622 7896 10153 16190 14398 9724 9069 9552 7963 12355 17850 17713 19858 6638 5330 1 1 5296 6448 13468 13133 5203 4708 11620 10686 15880 14931 3191 3326 7024 6297 8995 6569 3823 4058 4067 3499 8980 7902 1 1 3998 3025 14490 16392 1 1 5963 5444 16171 15944 1 1 4437 5011 1 1 13208 18543 14832 12434 4343 3628 7781 11198 6938 5786 3003 3448 7497 10081 14118 12993 4881 5057 2737 1 17635 15611 1 3538 5043 4828 138.0308 *138.0308* C7 H6 O3 108516 117035 6529 1 5517 6796 14866 15347 28184 28808 87091 86308 6081 4747 3712 1 3974 4208 33559 35599 43257 49544 10905 17740 1 4594 1 1 1 1 1 1 1 1 101614 106396 21425 6850 7519 7830 23918 23636 1 4397 36487 34690 1 1 1 1 1 1 1 1 1 1 19470 17893 16823 15242 5089 1 5499 1 14147 12596 21039 24062 24920 14350 203325 197243 22802 6517 8947 6672 26734 26145 6591 6515 6450 7045 36358 31234 15515 9687 1 1 161861 170117 138.0308 *138.0309* 138.0309@1.8898708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0309 *138.031* 138.031@1.3693256 991865 970584 1 1 1 1 1 45824 1 1 866249 209240 1 1 1 8534 15671 1 277612 1 238604 17544 265404 79989 4115 1 1 1 13111 1 1 1 1614 1 1 608858 4728 10073 62917 1 175309 598302 1 1 1 72174 1 1 1 1 1 1 5771 5998 1 1 1 131767 153917 1 1 1 1 34625 76181 151379 84562 1 1 1 1.16E+07 1 1 1 1 13167 1 1 1 1 26824 26100 1 1 16291 1 1 1 1 1 138.031 *138.031* 138.031@1.9179177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.031 *138.0311* m-Salicylic acid - 0.9820459 106392 106325 1 1 29843 32083 105972 104932 62565 62302 291124 291215 24463 23103 5953 7094 15706 12374 99099 101152 21986 22908 64244 63449 13865 10531 1 1 9133 7948 1 1 4893 4958 449247 435432 17299 15929 57488 59518 42012 41010 9020 9234 107662 109582 10778 10878 1 1 3601 1 23719 23944 1 4101 90168 88220 10966 10026 15907 13127 19257 21262 118711 120336 33728 30377 56680 55056 61445 63413 5119 9770 12603 13209 112833 107432 6398 4776 19909 18342 45232 43665 157042 156846 1 1 136537 137611 138.0311 *138.0311* 138.0311@5.0985394 2278 8158 1 1 1 1 1 1 1 1 4300 5596 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 9311 3607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14262 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 7320 7054 138.0311 *138.0311* 138.0311@2.8928225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 138.0311 *138.0312* 138.0312@4.047174 3911 5235 1 1 1 1 1 1 1 1 1 4425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9601 7160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10448 10198 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9548 9533 138.0312 *138.0313* 138.0313@5.684132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9356 20481 3267 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0313 *138.0313* 138.0313@5.3118477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17285 10099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 3853 138.0313 *138.0313* 138.0313@5.683399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0313 *138.0314* 138.0314@1.237802 1 1 1 1 1 1 1 1 1 1 1304125 1 1 2351 1 1 1 1 1 1 1 1 96250 129561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148031 1 1 1 1 372781 1 1 1 1 1 1 1 1 1 1 1 195326 217536 1 1 1 1 1 200761 234880 1 1 1 1 1 1 1 1 1 22242 1 1 1 1 59701 66395 1 1 1 1 1 1 1 1 138.0314 *138.0316* m-Salicylic acid - 1.2043693 3974524 4278127 1 1 11409 16936 239331 128249 571466 587681 1940303 3605826 49894 1 1 20083 51890 1 1073557 1418367 1603433 2046816 480093 587969 24267 32012 12683 3305 31488 1 1 1 3578 6086 9106872 5634135 10935 6062 156110 198927 260256 3087 1 7382 1 616567 4999 8434 14526 16857 17152 1 43920 44436 2111 1 701893 391327 62954 380597 18339 1 1 107756 75006 68051 514079 596934 499690 499504 5605 1.11E+07 1 1 1 68163 455740 446132 6457 5138 3818 4601 1005708 992531 144798 1 1 1 7496969 7490980 138.0316 *138.0317* 138.0317@1.5402293 1 1 1 1 1 1 1 1 1 1 371793 1 1 1 1 1 1 1 1 1 144335 1 1 56023 1 1 1 1 1 1 4699 3618 1 4240 1 177476 9855 1 1 1 1 1 1 5998 1 1 5554 1 3350 4752 1 1 1 3660 4451 4357 1 1 1 1 1 1 1 1 27485 1 1 1 1 1 1 1 1 1 1 1 1 1 6352 1 1 1 1 1 1 1 1 2337 1 1 138.0317 *138.033* 138.033@2.909298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.033 *138.0355* 138.0355@1.6723814 1 1 1 3634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7276 1 1 1 1 1 1 1 1 1 1 1 1 6457 1 1 1 1 1 1 1 1 1 9935 8346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0355 *138.0379* 138.0379@2.8509367 1 1 1 1 1 1 7411 19034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3796 1 1 1 1 1 1 1 1 1 1 1 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5996 1 1 1 1 1 1 1 138.0379 *138.0396* 138.0396@1.6737008 1 1 1 1 1 1 14423 11191 1 1 1 1 7343 8570 1 1 1 1 1 1 1 1 1 1 4360 6939 11468 11013 29285 28648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7123 1 1 1 1 1 1 117041 116227 1 1 5541 5041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5722 9066 9165 1 1 11221 10231 15181 14858 1 1 138.0396 *138.0426* 138.0426@2.5292776 1 1 1 1 1 1 16443 15244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34617 37845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5475 7425 93428 98060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6496 7095 1 1 1 1 4848 4587 1 1 1 1 138.0426 *138.052* 138.052@1.0723696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.052 *138.0591* 138.0591@0.716898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0591 *138.0611* 138.0611@1.1622787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0611 *138.0639* 138.0639@1.1722708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12249 15059 1 1 1 1 1 1 1 1 1 1 138.0639 *138.0642* 138.0642@0.7162694 1 1 1 1 4214 3781 2470 1 5553 6213 1 1 1 1 1 1 3009 2592 4747 5060 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 3722 3998 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 1 1 3637 4196 1 1 1 1 1 1 1 1 1 1 3176 3412 1 1 2324 2419 138.0642 *138.1285* 138.1285@1.9727762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3818 3845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 2216 138.1285 *138.1289* 138.1289@0.9826338 1 1 1 1 1 1 1 1 1 1 5263 4938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9410 9570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2047 2101 1 1 1554 1862 138.1289 *138.129* 138.129@1.2278575 1 37299 1 1 1 1 1 1 5530 6404 1 1 1 1 1 1 1 1 1 1 1 1 10906 11668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7721 7020 1 1 1 9721 1 1 1 1 1 1 1 1 1 1 8330 7535 3970 3535 1 1 1 1 4649 3025 6863 7266 4874 5274 1 1 1 1 1 1 3906 4023 1 1 1 1 12565 17084 1 1 1 1 1 1 138.129 *138.1318* 138.1318@1.3773875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12342 1 1 1 1 1 1 1 1 8444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3802 1 1 1 1 1 1 1 138.1318 *138.1693* 138.1693@0.98026246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.1693 *138.1707* 138.1707@1.2140847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4053 3555 1 1 1 1 1 1 138.1707 *138.1719* 138.1719@1.4268595 3467 1 1 1 1 1 1 1 1 1 8629 7600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6570 138.1719 *138.8971* 138.8971@2.0716805 1 1 6788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.8971 *138.9052* 138.9052@1.210623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.9052 *138.9107* 138.9107@1.2104325 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.9107 *138.9165* 138.9165@1.2016898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.9165 *138.9465* 138.9465@1.2006881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.9465 *139.0247* 139.0247@1.9621165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0247 *139.026* 139.026@1.1084659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 1 1 1 3418 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 3215 1 1 1785 1 1 1 1 1 1 1 7282 1 1 1 1 1 1 1 1 5064 1 1 2859 1 139.026 *139.0263* 139.0263@1.1516092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0263 *139.0265* 6-Hydroxynicotinic acid 22678 26317 24103 23476 19489 18774 17485 15866 17537 17923 21568 22260 16701 16834 18461 18332 20462 21340 16776 15474 15115 14738 17560 13092 15425 19686 19493 17782 10759 1 19748 22551 19888 22418 35584 35545 20338 20149 15642 16913 22688 21739 19614 24492 15204 12196 17985 20686 21472 23969 14543 17182 26175 24591 29094 33686 15053 13473 11836 13624 24085 26334 35076 37667 17219 20240 19576 21100 17512 1 26252 29263 21348 23678 22075 22807 16881 17910 17832 16679 25524 20745 26202 26271 21113 17358 12782 12550 32247 30647 C01020 139.0265 *139.0266* 139.0266@0.77178365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4431 3430 4132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0266 *139.0288* 139.0288@1.9676967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 1 1 1 1 139.0288 *139.0293* 139.0293@1.4986299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6435 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0293 *139.0314* 139.0314@3.212831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1727 1690 139.0314 *139.0324* 139.0324@1.7926242 16848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13901 4483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6294 1 139.0324 *139.0328* 139.0328@1.3551934 1 1 1 1 1 1 1 1 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0328 *139.0334* 139.0334@1.6446036 7456 1 1 1 1 1 1 1 1 1 1 24775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25806 21970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25912 1 139.0334 *139.0339* 139.0339@1.5125121 5858 1 1 1 1 1 1 1 8019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42003 1 1 1 1 1 1 1 1 1 1 1 12788 1 1 1 1 1 1 139.0339 *139.0345* 139.0345@1.3690313 1 1 1 1 1 1 1 1 4502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2637 3930 1 1 4056 1 1 20224 125302 1 1 1 1 12235 1 1 1 1 1 1 7636 1 1 1 2117 11361 1 139.0345 *139.0358* 139.0358@2.3156266 7752 7649 1 1 4776 5331 13263 12222 1 1 8844 10331 4924 4477 4395 3038 1 1 5107 4400 1 1 7121 5852 1 1 4489 1 4007 4288 4409 1 4519 4824 1 3151 1 1 1 1 8425 9430 1 1 1 1 3697 3778 1 1 3927 4211 1 2615 1 1 4771 3150 1 1 1 1 1 1 1 1 7271 6758 1 1 13694 12549 1 1 1 1 1 1 1 1 7588 6702 1 1 11245 12772 1 1 2671 3863 139.0358 *139.0506* 139.0506@3.1671581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 1 1 1661 1 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0506 *139.0548* 139.0548@1.2397293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0548 *139.0549* 139.0549@3.4472663 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0549 *139.0551* 139.0551@3.1508791 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3305 1 1 1 1 139.0551 *139.0567* 139.0567@1.2614915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 1 1 1 1 1 1 2509 4053 1 1 139.0567 *139.0592* 139.0592@2.8966272 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 5881 8295 1 1 1 1 1 1 6334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2565 1 1 1 1 1 1 1 1 1 1 1 3063 5385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4383 4950 1 1 1 1 139.0592 *139.062* 139.062@2.8329153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17670 1 1 1 1 1 1 1 1 1 1 1 139.062 *139.1346* 139.1346@1.2047005 6903 4530 1 1 1 1 1 1 1 1 4267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11215 11025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16900 19804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6188 8748 139.1346 *139.175* 139.175@1.2020621 1 3306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8739 10470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.175 *139.1762* 139.1762@1.2086395 3758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 139.1762 *139.179* 139.179@1.2076931 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3813 139.179 *140.0296* 140.0296@1.0998312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5562 3882 1 1 3239 4636 1 1 24856 22038 1 1 1 1 6479 1 1 1 3574 1 1 1 1 1 1 1 1 1 9357 8766 1 1 1 1 1 1 1 1 1 1 1 12164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0296 *140.0321* 140.0321@1.9747149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0321 *140.0324* C3 H8 O6 - 1.4189737 1 1 4352 4346 1 4809 1 1 6117 1 1 1 1 4743 5399 1 1 1 5269 1 1 4463 1 7090 1 1 7282 1 1 1 6635 7839 1 7330 142492 7909 9186 7797 1 1 1 1 1 7992 1 6542 1 8074 7794 6562 1 1 6739 4056 1 9916 1 1 1 1 8329 1 8213 1 7491 1 1 1 9147 1 11018 123336 6184 8510 9240 8387 8524 1 1 1 1 1 1 8865 1 1 1 1 121188 137452 140.0324 *140.0325* C3 H8 O6 1 1 7525 8454 13404 15493 19943 24756 1 1 14131 17363 5472 6710 6475 5392 5171 7388 8061 1 1 1 1 1 5678 7217 6083 6671 6319 6651 11781 9061 7488 8452 1 9709 1 8008 8495 7739 1 1 7551 8033 1 1 11191 11767 12173 11495 17073 15988 9162 10053 10480 5046 14875 18356 14625 17756 12393 10040 9226 12702 11213 11837 5944 1 1 12465 1 1 1 6861 7388 7515 1 1 12675 10731 10376 8836 1 1 12358 16357 1 1 4668 1 140.0325 *140.0327* 140.0327@2.1080418 1 1 1 1 1 7120 1 5541 4429 1 1 1 4646 5084 4878 1 1 1 1 1 1 5781 1 1 1 1 1 1 1 7822 5998 1 1 6591 1 1 1 7044 1 1 1 1 1 1 1 9599 1 1 6756 1 1 1 1 7284 1 8436 1 1 1 1 1 1 1 1 1 1 2430 1 1 1 4842 1 1 1 1 1 1 1 1 1 1 4773 1 1 1 1 1 1 4349 1 140.0327 *140.0328* 140.0328@1.6899847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19548 1 1 1 1 1 1 1 1 1 1 18685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0328 *140.0329* 140.0329@1.6196293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81943 1 1 1 1 1 1 30521 1 1 1 1 1 1 1 1 1 1 42895 37595 114655 25387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0329 *140.0331* C4 H4 N4 O2 468271 475107 440788 484991 538932 534128 499016 512277 537658 533295 545244 496161 504622 505225 324609 312374 293223 284427 483374 507528 402293 509708 381907 360720 373602 364491 372457 443800 368188 473956 503653 513498 389850 476917 250046 450857 398314 409363 414647 443508 514931 509128 463202 482553 345171 357886 497463 493328 437691 359535 488412 403413 288863 381877 431082 441626 485148 395756 493289 459013 361322 427688 379344 459959 394797 458862 499981 509547 468783 458293 530732 325256 271161 423345 364035 365525 395157 335031 387330 390972 380451 314397 345274 418391 402371 407806 414075 392873 274255 258134 140.0331 *140.0352* 140.0352@1.3663785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0352 *140.036* 140.036@1.3022931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.036 *140.0463* 140.0463@0.72085357 1 1 1 1 1 1 4878 4750 1 1 1 1 4312 4109 7610 6544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2978 3014 1 1 4301 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 2698 1 1 140.0463 *140.0775* 140.0775@1.2013161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0775 *140.0828* 140.0828@1.2033978 1 1 1 1 1 1694 1 1 3999 4787 1 1 1 1 1 1 1 1 1 1 1 1 2506 3180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3124 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2757 3134 1 1 1 1 140.0828 *140.1186* 140.1186@1.1669952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6721 1 1 1 1 1 1 1 1 1 1 12807 1 1 1 1 1 12322 1 1 140.1186 *140.1326* C8 H16 N2 6476 7179 1 4839 7932 8963 7713 7422 7749 6548 7677 7313 1 4802 1 1 1 2850 2830 4962 5991 4124 1 4833 1 1 6509 6500 4939 1 3945 7180 1 4397 4332 6995 4534 5216 4367 4061 6616 3087 6312 2259 2762 4582 5527 1 4023 1 4179 3243 1 4101 4064 3998 5291 6558 6679 7047 4767 1 4802 5791 4965 1 6437 6008 1 3958 5832 9598 6218 5453 4666 3952 1 2898 3280 1 1 2650 5267 4432 4171 3823 5770 2472 5144 5667 140.1326 *140.1327* 140.1327@1.5259372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 1 140.1327 *140.9924* 140.9924@2.4274564 22241 24725 23249 23211 20229 20933 17752 18453 13324 14345 38057 38651 16417 15887 10541 10272 10010 11139 31178 27034 20175 18416 4364 1 23128 21989 27582 30588 9575 10523 19514 18936 28695 30811 8680 8762 9333 7815 27931 30589 25100 26508 27247 29513 32892 32484 18969 19971 13780 14127 9535 9496 7649 8735 25246 26279 19210 18704 23297 20037 44007 42839 43457 41253 25634 24425 23687 25813 20672 22319 43093 42721 22119 20592 17258 17265 17347 17449 10748 12926 41747 42004 8374 8068 30169 27400 21382 20481 16856 19115 140.9924 *140.9964* 140.9964@2.4194422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.9964 *141.0171* C4 H3 N3 O3 50807 55579 48675 49472 64676 64026 59526 57413 60992 61571 60332 59198 64233 57406 43740 43145 34356 35786 68769 62794 61496 60002 61660 61080 49880 47988 55878 55185 59375 62240 64026 68140 63808 63342 59246 66333 63082 65801 57768 60646 68514 71488 66100 65283 56761 54732 73399 68636 57654 67955 55923 60348 67604 66355 58657 62148 69573 68266 64205 61403 59347 55218 64077 70214 67604 63848 77066 76832 69969 70729 85977 86619 65319 70791 68044 67446 63444 60057 60445 58700 63521 66003 66886 63982 67902 68886 64882 69155 70621 74095 141.0171 *141.0179* 141.0179@1.0878977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 3114 1 1 1 1 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0179 *141.0181* 141.0181@2.0656922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0181 *141.0193* 141.0193@2.0753908 1 1 1 1 1 1 1 1 1 1 1 1 1 4269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4780 1 1 7139 1 1 1 1 1 4709 1 1 2696 1 1 1 1 4407 3155 2424 1 1 1 1 5228 2252 1 1 6516 5038 1 3364 1 1 1 1 3741 1 1 4777 1 4231 5289 6141 1 4828 5570 1 1 6444 1 1 1 1 4477 1 1 1 1 1 141.0193 *141.0229* 141.0229@1.975521 1 1 1 1 1 1 2562 1 1 2110 1 1 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3204 1 1 1 1 1 1 2401 2272 1 1 1 1 2891 2528 3002 2198 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1 1 1884 1 2392 1 1 1 2448 1 3042 1 1 3433 1 141.0229 *141.0263* C6 H7 N O S 48249 41143 106434 1 43274 44349 1 44656 47439 47073 1 43087 44065 44571 1 78635 28421 72603 123629 43966 41369 1 108490 36723 88996 31402 36514 40001 33886 1 1 44062 42265 41141 47538 43839 112547 113914 91976 47081 38887 40735 32646 44815 37638 33301 45011 41845 43450 106421 38492 111931 39924 36056 33490 36249 117389 44752 39229 40840 38733 35331 41047 27586 42897 39840 113874 40181 43439 39871 53430 48579 41047 35189 38832 34612 38223 36759 31700 32253 35365 28322 33979 35727 10385 37740 43567 36947 44387 42751 141.0263 *141.0266* 141.0266@1.6241341 1 1 1 1 1 1 1 1 1 1 1 1 1 4491 1 1 1 1 10369 1 1 1 1 1 1 1 1 1 3032 1 1 1 1 1 1 1 1 1 1 1 1 3331 4555 1 1 2785 1 1 1 1 1 1 1 6230 1 1 1 1 1 1 1 1 1 10484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5547 4618 1 1 1 1 1 1 5428 1 1 141.0266 *141.0274* 141.0274@1.6377535 1 1 1 1 1 3574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4547 1 1 1 1 1 1 1 1 1 1 1 6742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 1 1 1 1 1 141.0274 *141.0307* 141.0307@2.179821 1 1 1 1 1 1 1 1 9843 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10902 1 1 1 1 1 1 1 1 1 7639 1 1 6159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6816 1 1 1 1 8204 1 141.0307 *141.0377* 141.0377@2.180492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12900 1 1 1 1 1 1 1 1 1 1 1 7024 6255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5642 5563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5982 1 1 141.0377 *141.0383* 141.0383@2.186494 1 1 1 1 1 1 8016 7554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3023 1 1 1 1 1 1 1 1 1 1 7689 12554 1 1 1 1 1 8395 1 1 1 1 141.0383 *141.0412* 141.0412@1.1833364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2558 2646 1 1 1 1 141.0412 *141.0458* 141.0458@2.2528956 1 1 1 1 1 1 5327 7090 1 1 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4176 4199 1 1 1 1 1 1 1 1 141.0458 *141.0496* 141.0496@2.2622294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11195 10138 1 1 1 1 141.0496 *141.0527* C5 H7 N3 O2 1 1 1 1 7740 7436 7437 7482 5974 5733 10700 2977 1 1 1 1 1 1 6342 6020 1 1 5096 4984 1 1 1 1 1 1 5553 4966 7152 7244 5050 5421 4467 1 1 1 5737 5636 1 1 5554 5457 6741 6936 1 1 4407 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12796 13355 1 1 7356 7450 1 1 1 1 1 1 1 1 4600 4839 1 1 12871 12721 6323 6194 1 1 141.0527 *141.9708* 141.9708@1.5412071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 3445 1 1 1 1 1 1 2069 3134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.9708 *141.9942* C4 H8 Cl2 O 2519 2612 1 1 3794 3995 1 1 1 1 2752 2894 2577 2953 4649 4400 7328 7672 1 1 3553 4078 4857 5264 7567 6952 3218 3421 2437 2380 5449 5665 1 2754 1 1 5632 5835 7337 7249 3250 3870 1 1 4205 3988 1 2029 2924 2537 2279 2103 3528 3209 2462 2423 3804 3907 23517 23107 1 2410 1 1 3492 3509 3606 3297 1 1 2360 1887 1 1 1 1 1 1997 6069 5624 2833 4050 1 1 3714 3871 5309 4943 1 1 141.9942 *141.9998* 141.9998@1.0778435 1 1 1 1 1 1 7912 1 1 1 1 1 1 1 1 1 1 1 9154 15438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8392 1 1 1 1 1 1 1 141.9998 *142.0482* 142.0482@2.0359993 1 1 1 1 6129 6151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6796 6440 1 1 1 1 1 1 6525 4048 1 1 1 1 1 1 1 1 35106 34246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0482 *142.0586* 142.0586@1.1990844 1 1 1 1 1 1 10651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0586 *142.064* 142.064@1.1882129 1 1 1 1 1 1 1 1 1 2737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.064 *142.0679* 142.0679@1.1914682 1 1 1 1 1 1 1 1 2767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3532 2932 1 1 1 1 142.0679 *142.0805* 142.0805@1.100985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 2682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0805 *142.0963* 142.0963@1.2056099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4887 8445 1 1 1 1 1 3265 1 1 5161 1 1 142.0963 *142.0967* 142.0967@1.1857319 1 1 1 1 1 1 9585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 2673 1 1 1 1 1 1 1 1 1 1 142.0967 *142.1348* 142.1348@1.2033476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1348 *142.9144* 142.9144@0.7657256 3016 1 1 1 1 1 1 1 1 1 1 1 2975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4532 4913 3985 2939 1 2273 2922 3085 7439 8630 1 1 1 1 5905 7125 6242 4786 5267 5707 1 1 4975 4710 4919 5705 3646 5632 1 1 2925 2990 6546 6185 4882 5715 9159 8842 1 1 8028 6787 7241 7228 1 1 2639 2585 8565 7653 6749 8334 5265 4109 4099 3839 142.9144 *142.9424* 142.9424@1.9753907 69986 75723 83517 80982 85037 82596 80954 12921 14045 75204 75247 73222 74460 69457 65819 65399 69907 72060 79824 75647 79583 82918 57375 72288 7095 69094 70950 79789 77947 72440 79267 58729 86017 82217 64478 68871 75345 69786 70153 77342 70982 68673 76119 79841 73682 77949 71348 71469 46705 73616 71819 73946 67494 70281 65828 68287 56356 74016 74130 69395 73660 67790 61685 65201 70690 68266 74790 71585 68771 53597 71129 67370 77883 72653 50274 67107 70037 67596 75649 1 69341 71126 70663 66515 72595 6724 65038 64300 64610 63581 142.9424 *142.9424* 142.9424@0.65787995 1 1 1 1 1 5086 1 1 2183 1 30479 37744 2412 1 30425 1 1 3256 34813 22959 1 1 1 2256 33356 32926 4426 33335 30141 4768 1 1 7117 11039 1 1 1 1 1 23407 1 21872 1 5051 18907 21386 4595 27874 1 1 1 33657 1 1 29160 28084 1 1 4717 1 1 1 4315 1 10751 1 1 1 1 4093 1 1 1 1 1 1 7205 1 23595 25536 1 1 35023 41504 1 30295 35852 33443 1 9208 142.9424 *142.9424* 142.9424@3.2752717 1 1 1 1 1 6972 1 1 1 1 1 1 1 5841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17716 1 1 1 1 1 1 1 1 1 1 1 1 1 13213 4988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9424 *142.9426* 142.9426@1.4736477 1 1 1 1 1 25297 4739 19788 18314 1 1 1 1 1 1 1 1 1 12322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11471 1 1 1 1 1 1 1 13123 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 4201 1 1 7367 1 1 3795 3974 1 1 1 1 1 1 1 1 1 1 18274 1 1 1 1 54681 1 1 1 142.9426 *142.9426* 142.9426@1.9724873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4626 1 2200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 1 1 1 1 142.9426 *142.9427* 142.9427@1.0736184 25081 14348 3515 2174 32996 29077 1 18013 33467 10467 21598 26746 28719 25032 16136 6295 69244 54763 24910 22139 24136 31942 11339 31730 9351 23881 34113 1 31766 28087 39497 47737 1 96267 2911 21933 40372 18036 46137 50927 45458 45125 32660 31654 31355 30068 30132 13818 24795 23656 58393 44538 45131 36255 5749 1 38705 31150 26696 33299 1 1 1 1 1 1 15451 4696 22031 21536 32618 34264 14309 1 22808 1 32015 31386 38250 29040 28570 4543 13255 14869 32873 30851 47443 45484 9909 1 142.9427 *142.9427* 142.9427@1.6430804 8884 37878 42582 7068 1 33213 1 26378 28531 1 2481 1 34047 37902 16711 1 1 1 19807 4241 1 34841 1 1 8177 7506 1 1 1 1 16007 7648 6326 29564 1 30132 1 27236 5903 51368 1 1 4798 1 6714 31859 4830 4766 40584 5152 61861 59088 40695 3994 6520 31364 1 1 30581 6208 1 6871 5590 3370 4431 6200 1 1 1 1 41163 6165 1 1 6833 1 4359 3162 1 1 5768 40931 1 1 2628 2711 3974 47880 24398 1 142.9427 *142.9428* 142.9428@1.2974138 1 1 1 5680 9332 47370 1 11570 40147 1 2277 1 5795 1 2523 1 1 1 15029 1 1 26168 1 23839 3807 1 1 1 11895 1 1 1 1 25809 1 27388 1 24779 4254 10295 21335 6410 1 56077 1 16947 2643 23750 2936 15276 3793 1 33312 7581 1 2049 3468 8456 5217 4477 1 2380 6099 28835 12582 19496 1 1 1 1 33410 1 1 1 1 4051 1 5424 4461 1 1 27472 1 1 8238 7745 3987 1 22361 1 142.9428 *142.9428* 142.9428@2.991906 12074 1 1 1 8850 76517 1 17634 1 1 1 1 1199 15601 1 1 102162 36281 4290 1 1 3999 81258 1 8985 1 1 1 1 1 1 1 1 1 1 1 1 8410 1 1 1 1 1 1 1 1 6379 1 1 1 11688 1 7438 1 1 13222 2082 5349 1 2550 1 1 2965 1 25700 1 1 1 1 1 9314 8398 1 1 1 31822 1 1 1 1 2054 4890 1 5152 1 1 1 4607 1 1 142.9428 *142.9428* 142.9428@1.4690108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9428 *142.9428* 142.9428@3.098962 1 1 1 1 1 1 1 1 1 1 1 1 1 6487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9428 *142.9428* 142.9428@3.5731685 1 1 1 1 1 1 1 1 1 1 1 1 1 5824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9428 *142.9428* 142.9428@3.8430862 1 1 1 1 1 1 1 1 1 1 1 1 8609 12284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9428 *142.9429* 142.9429@1.1447233 2578 1 1 1 1 1 7486 14833 1 1 30656 31340 1 1 1 1 1 1 37137 38454 3852 19565 37094 38612 1 1 1 1 26931 33444 1 1 87304 1 1 1 1 1 2966 13874 1 1 1 1 24342 28541 12168 16128 15194 11341 1 1 1 1 1 1 15266 14482 10812 1 1 1 1 1 116011 88912 1 1 1 1 1 1 1 1 1 1 1 1 18887 21614 1 1 22073 22207 22571 1 1 1 1 20121 142.9429 *142.943* 142.943@2.9097118 9675 1 9806 1 1 1 1 7411 35887 1 1 10649 15512 16172 14870 1 1 1 25835 1 1 8031 1 67459 1 1 1 1 1 13362 10384 1 18466 21119 14571 14970 1 11597 1 1 4393 12339 1 1 1 54517 1 9261 1 1 13277 1 1 1 1 1 7985 1 1 15124 1 1 6355 1 6051 35286 1 2332 1 1 1 1 1 1 10367 1 1 36978 1 1 1 3855 46412 2288 5269 1 1 1 6281 18806 142.943 *142.943* 142.943@4.280157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23274 24312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.943 *142.9432* 142.9432@1.2265491 2517 2578 1 2164 1 1 16362 17275 1 1 1 1 16048 17920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2195 1 1 1 1 1 1 12955 5444 1 1 2045 1 1 1 1 1 12092 4083 1 9677 8829 1 1 3209 13458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1623 1 1 142.9432 *142.9432* 142.9432@1.6059041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9432 *142.9432* 142.9432@3.1700068 1 1 1 1 1 1 1 1 1 1 1 1 1 5389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9432 *142.9432* 142.9432@6.439733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9432 *143.0215* C5 H5 N O4 1 1 1 1 1774 1830 1 2112 1 1783 2199 2179 2187 2689 2019 2185 2082 2296 3101 2247 2507 3125 2476 2253 3334 3104 3568 2929 3571 3080 2543 2667 3192 2618 2228 2042 2484 2334 2030 2667 2724 2348 2621 2838 2034 2566 2878 2806 3172 2964 2945 3284 2877 2900 2775 3102 3248 3683 2712 3358 2828 3015 3525 3506 4415 3404 3179 3345 3239 2944 3523 3172 3600 3887 3942 3782 3677 3690 4488 4028 3898 3842 3025 3723 4582 4423 5572 5900 3390 3120 143.0215 *143.0274* 143.0274@2.0040157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7389 143.0274 *143.0312* 143.0312@1.8436089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7680 1 1 1 1 1 1 1 1 1 1 1 3912 1 1 9486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6234 1 1 1 1 1 1 1 1 1 1 1 1 143.0312 *143.0323* C4 H5 N3 O3 1 1 1 66985 1 86394 84438 1 1 1 79483 1 78940 78147 1 1 1 1 1 76474 1 1 1 1 1 28640 1 1 1 65800 81413 86901 72050 1 1 76713 1 1 11307 1 81854 1 1 75785 1 68501 1 1 1 1 71074 1 1 70959 68213 1 1 76468 67769 1 69613 11071 75219 1 1 62411 1 1 77026 61393 1 87125 68345 70748 71033 72861 1 63578 60055 60553 1 1 1 61935 1 64967 80634 82296 72819 1 143.0323 *143.0324* 143.0324@1.5992247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13167 1 1 1 1 1 1 1 1 1 1 14341 1 1 1 1 1 1 8008 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0324 *143.0468* 143.0468@2.9819083 1 1 1 1 8541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0468 *143.0722* 143.0722@1.1310804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0722 *143.073* 143.073@5.422629 1 1 1 1 1 1 2443 2394 1 1 1 1 1 1 7575 7331 1 1 11979 12374 1 1 1 1 1 1 1 1 2475 2580 1 1 4160 4222 1 1 6422 6376 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 2022 2129 1 1 1 1 3193 3044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.073 *143.0926* 143.0926@1.9724864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 2330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 143.0926 *143.9476* 143.9476@1.6746011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9476 *143.9482* 143.9482@1.9935769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9482 *143.9484* 143.9484@3.0491247 1 1 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4051 1 1 6209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9484 *143.9486* 143.9486@1.9742701 8507 9344 7791 7460 8388 8129 9289 8789 8560 10258 8383 8988 7282 7225 6753 6159 6433 8681 8951 9026 7629 9333 7370 7895 7134 8356 7968 7985 7530 6139 8344 9164 3531 9894 8458 7402 6728 5969 5837 7054 7504 5632 8773 8669 8301 6527 6705 7459 7805 6479 6632 6525 7134 5700 8458 7631 6811 7676 6734 6474 6669 7209 7087 8119 3105 8726 5873 7960 7903 6434 7099 5865 8540 6647 6680 8364 6539 7079 8444 7824 8007 7272 7805 7544 7069 6981 6067 6442 6886 6389 143.9486 *143.9495* 143.9495@1.0930581 2338 1 1 1 1 7015 6302 4175 5141 1 3020 3928 1 2970 1 1 7638 6712 3308 3944 3413 4288 3636 4359 1 1 1 1 7209 2293 4811 5905 11786 8589 1 1 4592 1 4771 4723 1 3270 1 1 2725 3274 1 1 1 1 6861 4879 1 4094 1 1 3306 1 1 3954 1 1 1 1 11805 11449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 1 1 143.9495 *143.9495* 143.9495@1.2352797 1 1 1 1 5417 1 2441 2479 1 1 1 1 1 1 1 1 1 1 4431 1 1 1 4131 2395 1 1 1 1 2971 5653 1 1 1 1 1 1 5583 1 1 1 1 1 1 2201 1 3063 4978 1 1 1 1 1 1 3188 1 1 1 1 1 1 1 1 1 1 1 4400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 2713 1122 1 1 1 143.9495 *143.9496* 143.9496@0.65759647 1 4082 1 1 1 1 4354 2432 1 1 1 4799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9496 *143.9497* 143.9497@1.6411109 1 1 4044 1 1 1 1 5059 1 1 1 1 4932 5119 1 1 1 1 1 1 4308 1 1 1 1 1 1 1 1 1 7059 4627 1 1 1 1 1 1 6452 5776 1 1 1 1 1 1 1 5901 1 4634 3219 6697 4520 4735 1 1 1 1 3151 1 1 1 1 1 1 1 1 1 1 1 5606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5898 6855 1 1 143.9497 *143.9497* 143.9497@2.9104228 9683 1 4010 1 1 1 7890 1 1 1 1 1 1 14503 1 1 1 10251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3694 4366 1 1 1 1 1 1 1 1 2957 1 1 1 1 1 5678 1 1 1 1 1 15734 1 1 1 1 1 1 1 1 1 1 1 14162 1 1 1 1 1 1 1 1 4969 1 1 6019 1 1 1 1 1 4517 1 1 1 1 1 143.9497 *144.0564* 144.0564@0.8177355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 3284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0564 *144.0586* 144.0586@1.1926451 1 1 1 1 1 1 1 1 1 1 5671 5270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7246 6117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0586 *144.0743* 144.0743@1.9801996 3257 3845 1 1 1 1 3717 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3361 3190 2856 1 2971 1 3258 1 1 1 1 144.0743 *144.0763* 144.0763@1.9761053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6861 5940 2203 1 1 1 1 1 1 1 2847 2651 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 3239 1 2793 1 4046 1 1 3099 1 4563 1 4257 5047 1 1 1 1 1 1 4418 3094 1 1 2441 3166 1 1 1 1 1 1 1 1 1 1 3575 1 4875 1 1 1 1 1 144.0763 *144.1147* 144.1147@6.134992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1147 *144.9561* 144.9561@1.9768215 1 1 1 1 1 1 1 1 1 1 5396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4367 1 1 4601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 1 1 4917 1 1 1 1 1 1 1 1 1 1 5201 4901 5104 1 5056 1 1 1 1 4803 1 144.9561 *144.9565* 144.9565@1.9788525 1 1 1 1 1 1 1 1 5939 1 1 1 1 1 1 1 1 1 1 5145 1 1 5215 1 1 1 1 1 1 1 1 4464 1 1 1 1 1 1 1 1 1 1 3854 1 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4330 1 1 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.9565 *144.957* 144.957@2.9285913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.957 *144.9578* 144.9578@1.1004838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5756 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.9578 *144.9582* 144.9582@1.1596193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.9582 *145.02* 145.02@1.0628608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3196 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.02 *145.0372* 145.0372@2.9469662 1 1 1 1 1 1 3494 3268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0372 *145.0521* 145.0521@4.3450966 1 1 1 1 1 1 3881 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3440 3786 1 1 1 1 145.0521 *145.0523* Isoquinoline N-oxide 92726 91539 117700 120000 81212 83772 107285 108131 95103 95114 139222 136664 73805 73990 56710 56605 33854 34402 127137 126120 105823 106816 88820 89247 60190 62393 46301 44526 50253 51280 126790 126941 32545 31983 86691 86083 74622 76142 70176 71193 94274 105994 130744 132606 73904 73104 131848 132718 102523 103893 165955 159997 83066 85345 161740 162877 113490 111888 201806 206770 240548 221303 93104 94407 26425 26396 112850 115939 179848 187155 154982 158597 114929 113707 75599 76541 159186 160659 156651 157466 119461 117820 175601 176672 217627 217452 132867 135378 146403 148017 145.0523 *145.0706* 145.0706@1.977081 1 1 1 1 1 1 2178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0706 *145.0731* Propionylglycine methyl ester 20246 20230 31192 31549 33022 35417 104363 101304 16433 15687 24974 24787 14233 14629 15293 15867 24474 23873 34549 33680 10726 12470 13424 13805 11540 11200 16175 16409 16175 17231 30785 32722 54362 53147 17282 16778 27091 25743 18762 19774 16930 16981 12339 12441 22795 23361 13910 12088 14696 14113 30204 32351 11999 11298 13608 14218 28347 30237 19742 20584 13595 13355 23415 22066 27932 27873 38329 39944 18384 18301 25546 27090 16102 16919 14857 14431 12907 14324 56197 58126 30726 30298 29279 30230 52057 52072 30302 30181 17978 18344 HMDB00813 145.0731 *145.1537* 145.1537@1.1095923 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 2427 1891 1 1 1 2070 1 1 2887 3123 3921 4288 1 1 1 1 1 1 2904 2791 2036 2083 1 1 1 1 2125 1677 2086 1917 1 1 1 2019 3275 3326 1654 1650 1 1984 145.1537 *145.917* 145.917@0.8532162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.917 *145.9173* 145.9173@0.8489115 4826 4129 1 1 3964 4176 1 3415 1 1 1 1 11822 11767 1 1 3928 3313 8935 2674 1 1 4854 4896 4369 4899 5756 6432 1 1 1 1 1 1 4665 3394 1 1 6794 5273 1 1 4673 4480 6154 6845 5940 5187 5905 5964 1 1 1 1 4690 3972 1 3165 1 1 1 4366 4478 5253 5008 5535 8441 8729 1 1 1 1 1 1 1 1 6008 4538 7162 6870 6193 8209 1 1 8887 8524 12078 10629 3743 3817 145.9173 *145.9986* 145.9986@1.2038407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7660 8249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.9986 *146.0206* 146.0206@0.7142307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 2586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0206 *146.0214* 146.0214@1.1558092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0214 *146.0232* 146.0232@1.0870662 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 4705 1 1 1 2946 3480 2804 3454 5892 3771 2802 6982 1 2617 22813 16593 1 1 1 1 1 1 4477 4354 1 1 4747 7461 1 1 4241 4883 1 1 1 1 10705 1 1 1 1 1 1 1 1 1 15083 9363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0232 *146.0282* 146.0282@1.1213254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 12706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0282 *146.0328* 146.0328@1.1431203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0328 *146.0448* 146.0448@1.1108943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6394 1 1 1 1 1 1 1 1 1 1 5367 6633 1 1 1 1 1 1 1 1 1 8249 8730 1 1 10029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0448 *146.0504* 146.0504@1.1216588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0504 *146.0569* 2-oxo-4-hydroxy-hexanoic acid 1 1 1 1 3704 1 1 1 1 1 4982 4574 3790 1 3774 1 1 1 2733 3516 3365 1 6388 6502 1 1 2795 2603 1 3381 8480 7962 1 5957 1 1 1 1 13776 12238 1 2992 1 2730 1 1 2648 3151 1 1 1 5164 6001 6773 2738 1 1 1 1 3491 3360 1 17373 19033 19796 17060 14644 15534 1 1 1 1 9355 9046 5391 4899 1 1 9282 9929 7602 7809 3627 3394 1 10025 17351 16756 1 3052 C06762 146.0569 *146.057* 146.057@1.5642349 1 1 1 1 1 1 1 1 1 1 5049 1 1 1 1 1 1 1 1 4216 1 1 1 1 1 1 1 1 1 1 5552 6230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.057 *146.0592* 146.0592@1.9785054 1 1 1 1 1 1 3006 3783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2874 3086 1 1 1 1 146.0592 *146.0685* B-ureidoisobutyric acid 5473 6198 3212 3327 7305 7567 12502 11512 4641 4699 6636 6500 4043 4481 3433 3255 6964 7185 6385 6746 4227 3823 2602 2392 10645 10274 4945 5199 3403 3159 3174 3064 11503 11735 3929 4129 5748 5906 5422 5892 1 1 3221 3540 9485 8504 1 1 2163 2263 12708 11850 1 1 3583 3500 5850 5505 1 1 1 1 1917 1 14691 14810 11736 11975 1 1 7162 5705 3686 3855 1 1 5203 5060 7082 7286 5994 5524 1999 1 7288 7687 3173 2884 9900 9791 146.0685 *146.0685* B-ureidoisobutyric acid - 6.84278 13262 13665 16180 17026 12957 13114 16701 15422 18571 19627 25996 24052 23821 24727 17527 18001 13209 13657 28896 27091 14617 14292 13486 25331 22132 23767 17649 18126 19390 20444 25342 26548 15899 16650 14580 17966 23693 25044 21761 20385 28648 30377 19761 22227 19454 19774 25797 26027 29441 29926 33535 33437 22767 25652 30818 30048 32518 33945 24684 24832 26052 26865 24099 24182 29034 31639 42118 44842 26319 26081 65034 60262 18487 17357 17362 16938 15203 15666 16866 17283 24193 25161 14368 14241 25208 25416 33112 31709 23421 24118 146.0685 *146.0688* 146.0688@6.8701487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10799 1 1 1 1 1 1 1 1 1 1 1 2747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0688 *146.0889* 146.0889@1.2971965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4341 1 1 1 1 146.0889 *147.0305* C3 H6 Cl N5 1 1 1 1 2628 2314 1 1 1 1 1 1 2325 1 1 1 1 1 2336 1 4484 3551 1 1 2997 2740 3721 3383 1 1 1 1 4170 4148 4473 4894 4231 5696 2471 2913 1 1 2544 1 4948 1 1 1 1 1 1 1 3426 2768 3020 2391 1 1 1 1 1 3795 2510 2060 4057 5435 1 1 2261 3128 1 2804 3624 2907 1 2222 1 3222 1 1 3853 4334 1 1 1 1 1 2209 4689 3813 147.0305 *147.0369* 147.0369@1.1048037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 3147 1 2404 2885 1 1 1 1 147.0369 *147.0532* 147.0532@5.745552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 147.0532 *147.055* 147.055@1.1713626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 3847 3700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.055 *147.0672* 147.0672@0.79638314 1 1 1 1 1 1 3395 3229 1 1 5763 5030 1 1 1 1 1 1 1 1 1 1 1 1 9360 9365 1 1 1 1 1 1 1 1 1 3714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 1 1 2794 1 1 1 1 5870 6543 1 1 1 1 1 1 4893 5616 1 1 4228 4542 147.0672 *147.0674* 147.0674@1.1705418 1 1 1 1 1 1 2728 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0674 *147.0889* 147.0889@2.5300298 1 1 1 1 5027 5258 1 1 1 1 1 4390 1 1 1 1 1 1 6155 6392 6343 6671 4802 4495 1 1 4538 4667 1 1 1 1 1 1 1 1 1 1 7388 7448 1 1 1 1 1 4088 1 1 1 1 1 1 1 1 1 1 4770 4263 1 1 1 1 1 1 6138 6092 1 1 5176 4592 1 1 1 1 5059 5366 1 1 1 1 3936 1 8896 9148 1 1 6638 6507 1 1 147.0889 *147.0889* 147.0889@7.5198803 1 1 1 1 1 1 5326 1 1 1 1 1 1 1 1 1 1 1 5862 6694 1 1 1 1 5330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6428 1 5121 1 1 1 1 1 1 6757 6809 1 5079 7684 7288 1 1 1 1 1 1 1 1 1 1 8002 7662 1 1 1 1 1 1 147.0889 *147.9445* 147.9445@1.1162176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5419 1 1 1 1 1 1 4121 5050 1 1 1 1 1 1 1 3322 5708 3399 3446 5234 1 2576 3398 1 3351 1 1 1 1 1 3989 1 1 1 147.9445 *147.9446* 147.9446@1.2126936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4726 4724 3736 5332 4551 5606 4243 1 3944 1 4761 4269 4572 4347 1 1 1 5978 4096 8640 5507 4824 5279 5359 5564 5052 4667 4477 5795 4504 4356 6124 6288 5297 4547 4079 3495 4631 4641 4783 3597 1505 4893 6526 5626 5056 9645 4913 5965 6395 5744 5291 7097 4137 4724 4990 5145 1 4756 1 147.9446 *148.0151* 148.0151@0.9083687 1 1 1 7754 4366 1 1 1 1 1 1 1 5181 1 8435 5501 1 4155 1 5797 1 1 1 1 1 1 1 7840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7038 4463 6227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5463 1 1 1 1 2786 1 1 1 1 5559 1 1 1 1 1 1 5780 1 1 1 1 1 1 1 4454 1 1 148.0151 *148.0153* 148.0153@1.035688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0153 *148.0154* C8 H4 O3 1 1 1 1 1 22493 1 1 1 1 23156 1 1 1 20517 1 1 1 22969 1 1 1 24131 22079 23389 22313 23925 22245 21634 1 1 21348 1 1 1 1 1 18283 23998 11764 1 20584 1 1 1 18669 11611 22542 1 1 23019 23357 1 1 14780 21357 1 1 22039 25580 21640 1 1 1 22468 27111 1 18714 1 1 1 1 21198 1 1 23257 1 1 17502 20976 1 1 1 18884 21086 1 21615 1 1 18775 148.0154 *148.0159* 148.0159@1.2975985 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 5397 1 1 1 1 1 1 1 1 1 1981 1 2025 1 1 1 1 1 1 1 4462 1 1 1 1 1 2706 1 1 1 1 1 4648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0159 *148.016* 148.016@0.6920851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.016 *148.0184* 148.0184@1.9590912 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0184 *148.0208* 148.0208@1.2943763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4930 1 1 1 1 1 1 6688 5398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0208 *148.0516* p-HYDROXYCINNAMALDEHYDE 5023 4656 4571 4649 4891 4764 1 3316 4681 4474 4207 4063 2805 3619 4738 4246 1 1 4339 4977 4021 3464 3307 3720 3539 3509 4660 4860 4024 3739 4210 3681 3094 3583 3861 3998 4004 4368 3235 3643 3313 3323 4001 4443 3760 3149 3637 3650 4412 4755 3215 3548 3527 3977 4079 3995 4192 4499 5683 6655 5587 5907 2850 1 3111 3945 4208 4315 3560 3415 5451 5680 1 3090 2896 3281 3959 3809 4390 4089 4970 5104 6576 6213 4697 4906 4117 4874 4519 4146 C05608 148.0516 *148.0547* 148.0547@1.9757183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0547 *148.0612* 148.0612@1.9611974 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0612 *148.062* 148.062@1.9781128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.062 *148.0647* 148.0647@1.9749852 4479 1 2819 1 1 1 1 1 3385 3887 1 4480 1 1 1 1 1 2458 1 1 1 1 1 1 1 1 3354 1 1 1 1 4675 1 1 1 1 1 1 4671 1 3819 3029 1 1 4119 4453 3477 3540 4452 1 1 1 1 2429 1 1 1 1 3145 3526 3171 1 4021 1 1 1 1 1 1 2019 1 1 1 1 4118 1 1 1 1 1 1 1 5916 4158 1 1 1 1 1 1 148.0647 *148.067* 148.067@1.9599433 1 3464 1 3732 5390 1 1 16904 1 1 1 1 1 1 1 1 2417 1 5946 1 2064 1 1 2471 1 1 1 3220 1 1 5811 1 5686 1 1 1 5023 1 1 4883 1 1 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 8440 6948 1 1 1 4816 1 1 3313 1 6365 6802 1 1 5243 6471 1 1 1 4284 1 6114 1 8261 8341 1 1 1 1 12934 5573 5300 1 6676 148.067 *148.0715* 148.0715@3.2364798 1 5112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5040 5043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0715 *148.0716* 148.0716@1.7638034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0716 *148.0722* 2,3-Dihydroxy-3-methylvaleric acid 4262 4748 1 1 9114 3632 1 20450 7569 7323 5502 1 1 1 1 1 1 1 1 1 1 1 7959 1 1 1 1 1 1 1 1 1 2357 6669 6421 4410 1 1 1 1 7126 6652 1 1 1 1 1 1 1 4503 5258 1 1 1 1 1 3498 6842 1 1 4169 1765 1 1 2153 6099 4793 1 1 1 1 1 1 1 1 1 1 1 7189 2316 6524 1 1 5679 24009 24678 1 1 2304 1 148.0722 *148.0725* 148.0725@2.0907495 1 1 1 1 1 1 3567 3340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3514 3747 1 1 1 1 1 1 3685 1 1 1 1 1 1 1 1 1 1 1 1 3724 1 1 1 1 1 1 1 1 1 1 1 1 148.0725 *148.0725* 148.0725@3.1457741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0725 *149.0425* 149.0425@0.85687554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0425 *149.0449* 149.0449@2.077019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3356 1 149.0449 *149.0454* 149.0454@0.8670927 4681 5143 1 1 6894 7000 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4950 5673 6648 6881 1 3437 5249 5873 1 3275 1 1 1 1 1 1 1 1 1 1 1 5174 1 1 2804 1 1 1 1 1 1 1 1 3485 1 1 1 1 1 1 4287 4216 1 1 1 1 6609 6215 1 1 1 1 1 1 9426 10117 1 1 1 1 149.0454 *149.0505* Methionine 4982 5259 4974 4738 4147 4169 4495 3327 6864 6633 5976 6346 4736 5480 7624 6967 3920 3842 7688 7477 4598 4149 5762 5667 6761 6479 7160 7160 7186 6862 7469 7659 5302 6085 4439 4680 7245 7935 4324 4642 6545 6369 6712 6158 4398 4702 5146 4962 6958 7233 7693 7270 7527 6891 8507 9282 8080 6894 8774 8367 9538 11220 4746 4754 6901 8186 8742 9046 7974 7589 16388 15431 6001 6651 5320 5786 6763 6691 6204 6634 8734 8921 9765 9175 7830 8066 8796 8484 6520 5786 C00073 149.0505 *149.9594* 149.9594@0.71723604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108029 108303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.9594 *150.0009* 150.0009@3.602743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3081 3507 1 1 1 1 150.0009 *150.001* 150.001@2.7173457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8123 3511 1 6231 1 1 1 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 1 2144 5553 1 1 1 1 1 1 1 4993 1 1 1 1 1 1 8101 3089 1 1 1 150.001 *150.0013* 150.0013@2.9958572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 1 2884 2327 2213 1 1 3718 1 1 1 1 1 1 3356 1 1 1 1 3662 1 1 1 1 1 1 1 3346 1 2416 1 1 3305 1 1 1 2475 3108 2542 1 2703 3103 2510 1 150.0013 *150.0016* 150.0016@3.1806903 1 1 1 1 1 1 1 1 1 1 1 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3319 1 1 1 1 1 1 1 1 3441 1 2542 1 1 1 1 1 150.0016 *150.0038* 150.0038@2.747946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 150.0038 *150.0329* 150.0329@1.1878319 1 1 1 1 1 1 1 1 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0329 *150.035* 150.035@1.445233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.035 *150.0356* 150.0356@2.8886194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0356 *150.036* 150.036@0.84503925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1 1 1 1 2650 1 1 1 1 1 1 1 1 1 1 1 2927 3290 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.036 *150.0365* 150.0365@0.9529587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3820 3578 1 1 1 1 1 1 1 1 1 2599 1 1 1 1 1 2274 1 1 150.0365 *150.0377* 150.0377@0.67290115 2552 1 1 1 1 5052 1 1 5884 1 7518 4238 5580 1 2932 5583 1 1 1 1 1 1 1 1 3593 1 1 1 1 3722 5290 2809 2752 1 1 1 5938 1 8515 1 1 1 5345 6189 4809 8048 1 10021 2572 1 8534 9694 1 5405 7085 5937 5630 1 1 1 7883 1 10105 1 9983 6160 5261 1 1 1 1 1 1 1 1 1 1 1 7621 1 3839 1 6007 1 1 6150 1 6032 6528 3589 150.0377 *150.0379* 150.0379@1.2900636 1 1 1 1 1 1 1 1 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3169 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0379 *150.038* 150.038@1.0504019 1 1 1 1 3387 1 1 1 1 1 1 1 1 1 1 1 3756 1 1 3716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3939 1 4676 1 1 1 1 1 1 4618 1 1 1 3412 3109 1 1 1966 1 1 1 1 1 1 1 1 4428 1 1 1 1 1 1 1 1 1 1 150.038 *150.0389* 150.0389@2.0515025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5236 1 1 1 1 1 1 1 1 5790 1 1 1960 1 2600 1 1 1 1 1 1 1 1 1 4382 1 1 1 1 1 1 1 4199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0389 *150.04* 150.04@1.9856613 1 1 1 1 1 1 2029 1 3360 1 1 1 1 8432 3824 1 1 1 3537 1 1 3884 1 4466 1 1 4870 1 1 1 5774 1 3253 3234 1 2744 1 6153 1 1 1 1 1 1 1 4054 2162 1 3136 1 1 1 1 4708 1 4760 1 1 3658 1 1 1 1 1 1 1 3951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4006 1 1 1 1 6147 1 4080 1 150.04 *150.0408* 150.0408@2.849697 1 1 1 1 4697 8591 1 2024 1 1 1 1 1 1 2149 2909 1 1 1 1 1 1 1 1 3044 1 1 1 3552 1 1 1 1 1 1 1 1 1 1 9679 1 1 1 1 1 1 1 1 1 7939 1 1 10003 3107 1 1 1 6663 4829 9877 1 1 7550 7655 5705 1 4497 1 1 1 1 1 1 5344 1 4264 4223 1 1 1 1 1 1 1 1 5593 1 1 1 1 150.0408 *150.0458* C6 H11 Cl O2 1 4128 10535 6181 1 1 1 6173 6875 7634 9093 9204 4639 10057 1 1 1 1 1 1 5909 2825 4479 4881 1 1 10356 6063 1 12488 1 1 1 1 1 3389 14153 11955 3663 1 6386 7103 1 1 1 3345 10803 13246 1 1 8791 6271 1 1 12481 10456 3796 1 1 1 1 1 1 1 1 9481 4597 10003 1 1 1 1 9116 5973 12398 9248 8804 8395 1 1 1 1 12347 6953 1 1 1 1 10692 10498 150.0458 *150.0471* C12 H6 - 3.5286052 1 1719 1 16873 1 1 1 1 1 10349 12396 10637 12454 7166 1 1 1 2624 1 1 1 8262 1 1 7841 12368 1 1 10874 10853 1 1 1 1 17121 15443 9569 11540 18817 1 1 3326 13738 13753 17544 14880 15759 14548 1 1 1 4928 11357 9548 14747 15797 1 1 8925 8932 15008 13312 12303 13405 11789 11311 1 1 12431 15259 16122 7371 10720 4717 8805 8277 12821 14340 1 1 1 1 16338 16275 1 1 1 18345 1 8491 150.0471 *150.0476* 150.0476@1.8274977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12426 11689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0476 *150.0481* 150.0481@3.5041244 1 1 1 1 1 1 1 1 1 1 1 1 1 5386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9605 1 7051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0481 *150.0495* 150.0495@2.801987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15354 15331 1 1 1 1 1 1 1 1 1 1 17916 21942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12141 10160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0495 *150.0498* C12 H6 16439 15556 16345 1 18764 17203 102358 97402 17083 9604 1 1 1 1 26228 25275 15472 14253 40230 36723 1 1 38827 39774 1 1 21605 20761 1 1 30637 35812 20220 21368 1 1 1 1 1 17527 22572 11387 1 1 1 1 1 1 26046 28139 23247 19785 1 1 1 1 24695 30384 1 1 1 1 1 1 1 1 22653 21822 1 1 1 1 1 1 1 1 1 1 47637 51295 21028 20431 1 1 76015 79848 19134 1 33546 25819 150.0498 *150.059* 150.059@1.1137223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3915 3199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.059 *150.101* 150.101@1.1511471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.101 *150.1035* 150.1035@0.7495925 1 1 1 1 1 1 1 1 7793 7753 1 1 1 1 1 1 1 1 1 1 1 1 13143 12961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6857 6192 1 1 1 1 1 1 1 1 1 1 7203 7559 1 1 1 1 1 1 1 1 1 1 1 1 12225 11383 1 1 1 1 1 1 1 1 9719 10633 7180 7751 6772 5972 1 1 1 1 150.1035 *151.0012* 151.0012@0.7034043 1 1 1 1 1 16246 1 1 2471 1 1 1 9721 1 18724 1 1 1 1 1 1 3952 1 1 1 30541 1 1 1 1 14545 1 1 4725 1 1 1 18096 1 1 1 1 1 1 1 28077 1 34349 1 24984 37912 1 1 1 1 35193 1 1 1 1 1 1 1 1 1 1 4323 1 1 1 8045 1 1 1 1 1 1 1 1 1 1 4463 1 1 1 13976 1 1 1 1 151.0012 *151.0012* 151.0012@1.726165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0012 *151.0012* 151.0012@1.8646836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0012 *151.0013* 151.0013@1.3422475 1 1 1 1 1 1 1 6213 1 1 1 1 1 4076 2915 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 4081 1 1 1 1 10481 1 5128 1 1 1 1 1 1 1 2465 1 1 1 2586 1 1 1 10064 1 3759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5385 1 151.0013 *151.0013* 151.0013@1.5146365 1 1 1 1 1 1 1 3943 6554 1 1 1 3525 1 2990 1 1 1 4024 1 1 3157 1 1 1 1 1 1 1 1 1 1 1 1 1 3518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0013 *151.0013* 151.0013@2.0614502 1 1 1 1 1 12034 1 26680 9184 1 1 1 3933 1 13289 1 1 1 5158 1 1 4081 1 1 1 1 1 1 1 1 12178 1 1 1 1 11824 1 7039 1 1 1 1 1 1 1 15316 1 1 1 10941 1 1 1 1 1 2906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3811 1 1 1 1 1 1 5452 1 151.0013 *151.0013* 151.0013@0.95752484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8018 1 1 1 1 1 1 5247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23457 1 1 1 1 1 1 1 1 1 1 1 11416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3832 1 151.0013 *151.0013* 151.0013@1.6121209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0013 *151.0014* 151.0014@1.0838273 1 1 1 1 1 1 1 10524 1 1 1 1 1 12614 6284 1 1 1 6729 1 1 11025 1 1 1 1 1 1 1 1 1 1 1 24936 1 6157 1 11835 1 1 1 1 1 1 1 3437 1 1 1 9951 1 1 1 2368 1 9520 1 1 1 1 1 1 1 1 1 1 30349 1 1 1 11704 1 1 1 1 1 1 1 1 1 1 2714 1 1 1 1 1 1 15550 1 151.0014 *151.0014* 151.0014@1.4165953 1 1 1 1 1 1 1 2825 1 1 1 1 1 4383 4580 1 1 1 1 1 1 5469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5429 1 1 1 1 1 1 1 1 1 6535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@5.6456375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15209 1 1 14415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@1.7956326 1 1 1 1 1 1 1 1 9929 1 1 1 4449 1 1 1 1 1 1 1 1 4215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4702 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 4281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4569 1 1 1 1 1 1 7515 1 151.0014 *151.0014* 151.0014@1.9330292 1 1 1 1 1 1 1 1 1 1 1 1 3031 1 1 1 1 1 1 1 1 3925 1 1 1 1 1 1 1 1 8286 1 1 1 1 1 1 2879 1 1 1 1 1 1 1 3309 1 1 1 4202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@0.6617477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@1.7723371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0014* 151.0014@1.1797372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0014 *151.0015* 151.0015@0.9102023 1 1 1 1 1 16897 1 13828 12722 1 1 1 13119 4311 5978 1 1 1 18614 1 1 5064 1 1 1 1 1 1 1 1 13092 1 1 20894 1 10081 1 10503 1 1 1 1 1 1 1 21500 1 1 1 14373 1 1 1 22994 1 17049 1 1 1 1 1 1 1 1 1 1 27990 1 1 1 15970 1 1 1 1 1 1 1 1 1 1 33115 1 1 1 1 1 1 22268 1 151.0015 *151.0015* 151.0015@0.79272705 1 1 1 1 1 5224 1 1 1 1 1 1 1 1 7872 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 11541 1 1 1 1 1 1 13310 1 1 1 1 1 1 1 4262 1 1 1 7278 1 1 1 17676 1 5575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10763 1 1 1 1 1 1 1 1 1 1 16898 1 1 1 1 1 1 27911 1 151.0015 *151.0015* 151.0015@2.8512378 1 1 1 1 1 1 1 1 1 1 1 1 8708 1 1 1 1 1 1 1 1 1 1 30118 1 1 1 1 1 1 1 1 1 5902 1 1 1 1 1 1 1 1 1 1 1 8577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0015 *151.0016* 151.0016@1.3537819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0016 *151.0397* 151.0397@3.555794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10169 16474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0397 *151.0551* 151.0551@3.4999688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10078 8001 1 1 1 1 151.0551 *151.0567* 151.0567@3.495832 3023 1 2438 2340 1 1 10007 10294 1 1 1 2168 1 6433 1 1 1 2323 1 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3477 1 1 1 1 1 1 1 1 5095 1 1 5492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12896 11499 11215 1 1 1 1 1 1 1 1 151.0567 *151.0573* 151.0573@0.7681322 1 1 1 1 1 1 4721 3419 1 1 6800 7135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9789 10801 1 1 1 1 1 1 3877 3479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4879 4591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4191 3348 151.0573 *151.0575* 151.0575@2.175351 1 1 1 1 1 5580 7043 1 1 1 1 1 9345 8992 1 4015 7863 1 1 1 1 1 1 1 1 1 1 1 3201 1 1 1 1 1 1 1 7648 6419 9427 1 1 1 1 8367 4236 1 1 1 1 1 1 1 12024 25553 1 1 1 1 1 1 1 1 11801 1 3341 1 3095 1 12414 1 1 1 1 1 1 6147 1 1 1 1 1 22886 1 4172 7987 8039 1 1 1 1 151.0575 *151.0581* 151.0581@1.1622865 1 1 1 1 1 1 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5824 6699 1 1 1 1 1 1 1 1 1 1 1 1 5982 6116 1 1 1 1 1 1 1 1 151.0581 *151.059* 151.059@2.166702 1 1 1 1 1 1 1 1 1 1 1 1 1 4866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7949 1 1 1 1 1 1 1 1 1 1 1 1 1 16792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13361 13764 1 1 1 1 1 151.059 *151.0619* 151.0619@1.196291 7065 6345 1 1 1 1 35296 32506 1 1 1 1 12217 12444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18357 21282 1 1 1 1 1 1 1 1 1 1 33959 37176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46368 45663 1 1 151.0619 *151.062* 151.062@0.89889127 1 1 1 1 1 1 28205 24522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27438 1 1 1 1 1 1 59318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24733 24268 1 1 151.062 *151.0626* 151.0626@0.84583145 192281 191594 1 1 1 1 690106 685581 1 1 1 1 189546 189166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167913 168776 1 1 1 1 1 1 1 1 1 1 191845 162647 1 1 1 1 1 1 1 59184 1 1 1 1 1 1 1 1 1 1 1 1 69316 69720 1 1 1 1 261553 258354 1 1 151.0626 *151.0627* 2-Ethylisonicotinic acid 2198678 2189332 1 1 26616 26701 253174 245424 472011 469941 1839097 1830174 20522 17208 1 1 58080 65807 828463 824346 519817 494103 402952 431890 1 1 1 1 1 1 1 1 1 1 1966711 1983346 1 1 165926 188069 308789 336969 1 1 336693 343566 1 1 1 1 1 1 1 1 1 1 479552 481671 87165 89057 1 1 60386 75626 283824 281157 235657 234298 140098 147740 1154772 1150883 1 1 1 1 250384 249610 1 1 23680 1 330779 341326 180741 189092 1 1 2681606 2646280 151.0627 *151.1648* 151.1648@0.8461706 1 1 1 1 1 1 15226 15060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3399 1 1 151.1648 *151.1659* 151.1659@2.0804422 1 3613 1 1 1 1 1 1 6014 2415 1 1 1 1 1 1 1 1 12443 12936 1 4213 3647 3021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 1534 1 1 1 1 1 1 1 1 1 1 5215 6579 1 1 1 1 1 1 1 1 1 1 1 1 22129 16106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.1659 *151.1668* 151.1668@2.0633974 1 1 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.1668 *151.9564* 151.9564@0.7162342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4724 5089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.9564 *152.014* 152.014@1.7481244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7658 1 8448 9295 1 1 1 1 1 1 11555 22356 1 1 2438 4919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5032 1 1 1 152.014 *152.0144* 152.0144@0.8872467 1 1 1 1 1 1 3884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0144 *152.0156* 152.0156@2.0963867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 2142 1 1 152.0156 *152.0242* 152.0242@1.0130386 1 1 1 1 1 1 2755 2482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0242 *152.0269* 152.0269@2.0178714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3933 1 1 1 1 1 1 1 1 152.0269 *152.029* 152.029@0.9535415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 152.029 *152.0318* 152.0318@1.4401798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0318 *152.0323* Xanthine 31604 33061 30427 32806 15785 15775 10071 25995 30678 32482 39787 43752 31941 34477 14296 13671 14884 16214 46117 47956 49960 55425 41639 41000 17822 22520 36409 33566 28085 1 33105 31311 20518 25806 8519 9370 24416 29209 34010 35999 32824 33592 5621 4043 44394 44826 21307 24291 22564 19949 4778 63327 37291 40036 42382 39816 45754 43147 43023 48528 31249 37653 28597 1 52584 34118 37379 32991 23726 22067 78234 82884 20189 18750 28008 27052 42572 48284 58170 63424 2035 77169 52737 54149 49997 56315 61919 64046 1 32759 HMDB00292 C00385 152.0323 *152.0324* Xanthine - 1.9075025 41660 39466 42777 42309 1 16229 6598 1 28750 1 30926 32998 1 1 21993 21667 17588 17208 1 44698 1 1 1 1 1 1 43811 40088 1 1 1 1 23005 1 1 21710 40192 43110 47871 47807 1 1 46333 48767 53413 52052 1 1 1 1 63233 1 1 1 37956 38647 1 44271 35069 37230 39161 1 1 1 37677 1 34876 32823 15974 16747 116077 111154 29113 30707 1 1 50692 49136 58357 1 80817 65332 1 1 1 1 1 1 40194 1 HMDB00292 C00385 152.0324 *152.033* 152.033@1.9640363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38468 34212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60726 1 1 1 1 1 1 1 1 1 152.033 *152.0335* 152.0335@1.1489213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 2981 1 1 1 1 1 1 1 1 1480 1 1 1 1 2674 1 1 1 1 1 1 1 1 1 1894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0335 *152.0346* 152.0346@0.7257796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0346 *152.0383* 152.0383@1.9710094 1 1 1 1 1 1 36727 37698 1 28578 1 1 26800 18967 1 1 1 1 1 1 44954 37732 19609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27568 30908 1 1 1 1 1 1 54214 51810 84465 79988 49456 50113 1 1 152.0383 *152.0383* 152.0383@0.9578643 2149 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1420 1 2201 2473 1 1 1 1 1 1 1 1 1 3415 1 1 1 1 1 4949 1 1 1 1 1 1 2136 3236 3242 1 1 1 1484 1 1 1 1 1 1 2288 3311 1 1 1 1 1 1 1 1 1 1 2486 2790 152.0383 *152.0402* 152.0402@0.95093536 1 1 1 1 3817 4436 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 3424 4030 3736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9498 1 1 2239 1 1 1 1 1 1 1 152.0402 *152.0423* 152.0423@1.4438019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4996 5237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0423 *152.0424* 152.0424@1.1853157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6079 1 1 1 1 2056 1 1 4309 1 1 1 1 1 1 1 1 1 1 1 4267 4529 1 1 3216 1 6378 3459 1 1 2326 1 4176 3910 1 4964 2110 1 5577 4829 4058 1 7618 7811 1 1 2118 2733 3392 1 3722 2859 7585 1 1 1 1 1 6812 7120 1 1 1 3107 5784 5956 1 1 1 2292 1 1 152.0424 *152.0434* 152.0434@0.7273647 1 1 1 1 1 1 6359 5418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 2115 1 1 1 1 1 1 2028 1883 1 1 1 1 1 1 1 1 1 4601 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 6662 7428 1 1 1 1 1 1 4590 5499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0434 *152.0447* 152.0447@4.282656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9268 8439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0447 *152.0448* 152.0448@1.972646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84585 75679 1 1 1 1 46856 51803 58893 54768 1 1 41727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0448 *152.0458* 152.0458@0.73404276 1 1 1 1 1 1 1 1 1 1 1 1 14755 13714 1 1 1 1 19215 15329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19135 18005 1 1 1 1 5891 7885 6848 1 1 1 1 1 1 1 1 1 1 1 1 1 2481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19176 17398 1 1 7261 6585 1 1 1 1 152.0458 *152.046* 152.046@1.1708853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7813 1 9924 9042 6032 6103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6845 1 1 1 1 1 1 15810 15274 1 1 1 1 25678 22541 1 1 9513 9719 152.046 *152.0467* 152.0467@0.950309 1 1 1 1 1 1 20132 20956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1 1 1 1 1 1 1 1 1 9819 1 1 1 1 1 10180 9313 1 1 1 1 152.0467 *152.0479* 152.0479@1.1887535 1 1 1 1 1 1 7795 8277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3305 4123 1 1 1 1 4823 6079 1 1 1 1 1 1 1 1 1 1 6966 4684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258163 1279199 4740 8105 1 1 1 1 1 3743 1 1 1 1 1 1 6966 4164 1 1 1 1 1 1 1 1 152.0479 *152.0552* 152.0552@1.2027786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 6538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0552 *152.0654* 152.0654@2.1552677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0654 *152.0802* 152.0802@0.7099695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0802 *152.1145* 152.1145@1.1485482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1145 *152.1193* 152.1193@1.0849116 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1193 *152.1194* Limonene-1,2-epoxide 27670 29347 2601 2260 4812 1 14816 4488 3025 3020 19301 18780 5468 5130 3173 2717 5139 5376 49300 48401 14876 14277 37269 38507 17851 3267 1 4440 29555 25801 9790 9736 23114 26317 1 1 1 1 11211 2324 6247 1 1 1 30426 59457 19727 19156 10174 9255 2264 2442 1893 7741 10755 8210 11485 20921 8731 15326 7934 9130 2281 2509 1 1 4454 4669 1 6467 21656 20570 3433 3324 2693 2571 3269 3288 22388 24115 21856 9797 14297 15252 8717 7904 1 1 8591 9157 C07271 152.1194 *152.1197* 152.1197@1.2410364 3711 1 2890 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8270 8479 1 1 8009 7820 1 1 1 1 1 1 1 1 3981 3360 1 1 1 1 1 1 1 1 1 1 5077 5097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3030 1 1 1 1 1 1 1 3722 3812 1 1 1 1 1 1 1 1 1 1 152.1197 *152.1555* 152.1555@1.0924623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12146 1 1 1 1 1 1 1 1 1 1 1 1 152.1555 *153.0108* C5 H9 Cl2 N 1 1 3417 1830 3093 3006 1 2426 3282 2815 3689 2917 1 1 1 1 3009 1 3875 3080 1 1 1 1 1 1 4200 2539 4447 3158 1 1 4803 4606 1 1 1 1 3313 1 1 3550 1 1 1 1 1 2905 1 1 2944 6263 1 1 3555 4151 3688 1 1 1 3701 2597 5871 5189 1 1888 3789 2917 1 1 3035 4657 1 1 4894 3415 1 2736 3413 1 1 3285 1 1 3490 3439 1 4268 1 1 153.0108 *153.0143* 153.0143@1.1014615 1 1 1 1 1 1 1 1 1 1 1 1 6934 3051 1 1 4513 3640 1 1 1 1 1 1 1 1 4861 1 1 1 1 1 1 1 1 1 1 11514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 5417 4912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0143 *153.0177* 153.0177@1.1038526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 1 1 1 1 4818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0177 *153.0192* 153.0192@1.6682107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0192 *153.0202* 153.0202@1.9784218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13282 8557 5051 6105 4272 4304 6248 5454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11372 1 1 5641 1 1 2372 1 1 1 3929 5052 1 1 1 1 1 1 1 1 1 1 1 3438 1 1 1 1 153.0202 *153.021* 153.021@1.6406629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5913 1 1 1 1 1 153.021 *153.0268* 153.0268@1.9554583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3465 1 1 4679 1 6490 1 1 1 4641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0268 *153.0304* 153.0304@1.9324316 1 1 1 1 1 1 8720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3967 3716 1 1 1 2782 1 1 1 1 1 1 1 1 1 1 153.0304 *153.0329* 153.0329@1.067446 1 1 1 1 1943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5126 1 1 1 1 1 1 1 1 1 4440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5059 1 1 153.0329 *153.0338* 153.0338@3.5597951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48609 49104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0338 *153.036* 153.036@1.059208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.036 *153.0395* C3 H11 N3 S2 4974 4927 5015 5415 2853 5957 4234 4988 3843 3370 3650 4779 1 2661 3779 3617 4769 4142 4187 1 2400 4355 3722 2844 3920 4216 3749 3559 1 1 5061 3797 10038 5531 8008 7978 4090 3447 1 1 5932 5906 5888 5556 5620 4398 4735 3949 5314 5229 4609 6368 4657 4905 7495 7545 1 1 2411 3289 5915 6475 8597 8900 4303 4667 5349 5950 5652 5860 5538 9229 5902 5775 9041 5012 4486 5513 6212 3505 5826 6374 6256 5816 4624 5332 1 1 6990 8356 153.0395 *153.0432* 153.0432@1.2717108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0432 *153.0569* 153.0569@1.9716079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0569 *153.0606* 153.0606@2.1738617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0606 *153.0767* 153.0767@1.9667281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30106 31851 1 1 1 1 1 1 1 1 1 1 153.0767 *153.0774* 153.0774@1.8526325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13286 12274 1 1 1 1 1 1 1 1 1 1 153.0774 *153.1552* 153.1552@1.1426057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.1552 *154.0178* 154.0178@0.70545554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5544 33178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0178 *154.026* 2,3-Dihydroxybenzoic acid 65379 51836 55086 70522 117022 119659 302908 314570 55334 52120 101241 93672 100818 103069 127313 120832 54013 56629 126029 133439 75422 73125 144431 133615 46096 45850 107601 109610 62423 61358 100569 108827 91647 148182 376958 344091 45167 47560 92054 92328 196637 198441 16844 21015 483710 482994 251112 267257 188961 184869 157088 79574 100492 82836 72549 71917 54797 53436 85860 79597 73012 69933 42050 43947 281171 292681 96760 97588 53284 54341 251907 229243 23684 17667 102756 114120 35846 34708 326837 344838 164624 161076 224013 286650 257575 257381 93694 103382 145017 165314 C00196 154.026 *154.026* 154.026@1.0284559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6600 1 1 1 1 1 1 1 1 1 1 1 1 1 7381 5818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5062 1 1 1 6606 1 1 1 1 8276 5567 1 1 1 1 1 1 1 18976 1 1 1 1 1 1 1 35415 1 1 28986 1 1 1 11153 1 1 1 154.026 *154.0261* 154.0261@1.733733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5142 6705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0261 *154.0262* 2,3-Dihydroxybenzoic acid - 0.9889191 1 12819 18764 1 1 1 107181 93349 1 1 1 1 1 1 1 1 1 1 1 1 30111 24362 1 1 1 1 9520 8195 1 1 6679 1 52769 1 13109 37495 12510 16903 1 1 1 1 1 1 1 1 25359 1 1 19433 1 75708 1 14308 1 8906 18639 16163 1 1 1 1 12508 12711 30071 1 10454 12235 7808 8781 30582 24878 1 5532 1 1 1 2991 98165 59109 1 1 21669 1 33733 31946 12898 7983 1 1 C00196 154.0262 *154.0263* 154.0263@1.9695683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4608 4953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0263 *154.0264* 154.0264@1.2933458 1 1 8411 9725 2897 2877 1 3074 3926 4175 1 1 1 1 1 1 1 1 1 1 1 1 6314 1 1 1 1 5583 1 1 1 1 1 1 3458 4296 1 1 1 1 1 3438 1 1 1 5232 16676 16345 1 1 1 1 1 1 1 1 1 1 1 1 10359 9649 1 1 1 1 1 1 1 1 3662 1 1 1 1 1 1 1 1 1 1 1 4089 1 1 1 1 1 3500 2153 154.0264 *154.0268* 154.0268@1.0564412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3186 1 1 1 1 1 1 1 12411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0268 *154.0269* 154.0269@1.6480244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12429 8934 1 1 1 1 1 1 1 1 7014 6613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4958 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0269 *154.0299* 154.0299@1.3263873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0299 *154.0332* 154.0332@1.0411777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3288 3691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0332 *154.034* 154.034@1.3367647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9679 1 1 1 1 1 1 1 1 4782 4481 1 1 1 1 1 1 4019 1 1 1 1 1 1 1 1 1 1 1 9339 1 1 5002 6404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.034 *154.0375* Acipimox 124739 124925 113445 115079 123044 121247 379120 376653 112119 115544 117763 119379 77440 71864 74443 74202 79112 76544 129661 130252 87382 88301 86333 85887 57258 63023 79187 80554 68316 69868 122686 127601 159649 159519 67902 69556 89172 90741 81138 78124 94300 95997 60241 61724 94799 96716 65939 64059 75725 74929 138660 133007 67851 66658 76332 74671 132814 135906 60724 62752 74516 73240 83291 82979 78572 77115 110633 108440 65073 65017 94336 92714 61768 61778 66438 67196 73514 75387 222330 230768 113953 116343 91631 92928 156112 153853 100129 101040 106423 108986 154.0375 *154.0389* 154.0389@1.9690813 1 1 1 1 1 1 4001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0389 *154.0436* 154.0436@1.3458266 1 1 1 1 6216 3861 9112 6000 1 3174 1 1 3687 3575 4421 2781 1 1 1 4983 1 1 8323 7976 1 1 3808 1 1 4287 1 1 1 1 1 1 1 1 1 1 7249 7068 5815 1 1 1 1 1 1 1 1 1 2552 1 1 1 4354 3406 1 1 1 1 1 1 1 1 1 1 1 2712 8382 4876 1 1 1 1 1 1 1 1 6092 1 1 1 1 5036 1 2363 1 1 154.0436 *154.0458* 154.0458@1.3454373 2969 3425 1 1 1 1 1 1 1 1 5466 5094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 2477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5597 6117 1 1 1 1 1 1 1 1 1 1 1 1 1 6989 1 1 18375 10761 1 1 1 1 154.0458 *154.0463* 154.0463@1.1408365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2636 1 1 154.0463 *154.05* 154.05@1.3464584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.05 *154.0514* 154.0514@1.9687295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3243 3272 1 1 1 1 1 1 1 1 1 1 154.0514 *154.0579* 154.0579@1.1365983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 2548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0579 *154.0618* 154.0618@1.1352024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6563 6429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0618 *154.0718* 154.0718@5.6338344 3441 3236 3039 2979 1 1 3369 3271 3233 3198 1 1 2565 2611 1 2481 1 1 3593 3292 1 2988 1 2876 3116 3089 1 1 2880 1 2772 1 3096 3072 3357 3385 1 1 1 1 3111 1 1 2778 2630 1 2587 1 1 1 1 3319 3060 3186 1 2572 3338 3118 3046 1 1 1 3236 2875 2983 1 3397 3792 3315 1 3414 4097 1 1 3115 1 3068 3049 3431 2537 3117 3367 1 2967 3331 4138 3358 3338 1 1 154.0718 *154.0959* 154.0959@1.3596295 1 1 1 1 1 1 4491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6188 5461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3851 1 1 1 1 1 8814 1 1 1 1 1 5044 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6523 6461 1 5146 1 1 5487 4424 8688 8312 1 1 154.0959 *154.098* 5,7-nonadienoic acid 1 1 5652 4658 3228 1 24268 16141 3687 3835 2610 3988 1 1 5766 4143 1 1 1 1 1 1 6282 5594 1 1 6680 1 6386 1 16482 16713 1 1 1 1 10686 7859 16817 17333 1 1 1 1 1 4180 8230 7374 1 1 7609 17136 1 1 1 1 10091 12531 10110 9362 1 1 4630 5522 5649 8370 1 1 1 1 8007 6618 1 1 3564 4084 1 4387 7847 4374 7870 9759 1 1 19570 22462 20552 20520 1 1 154.098 *154.1295* 154.1295@0.8549754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3186 3168 1 1 1 1 1 1 1 1 4875 4390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3237 4010 1 1 1 1 1 1 1 1 1 1 154.1295 *154.1414* 154.1414@2.1715333 1 1 1 1 1 1 4685 4506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.1414 *154.875* 154.875@2.8685844 1 1 1 1 1 1 17617 1 1 1 1 1 11456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13757 14366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18366 1 1 1 1 1 1 7765 1 1 1 1 1 1 1 154.875 *154.8752* 154.8752@2.94582 1 1 1 1 1 1 1 1 1 1 1 1 8720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.8752 *154.8753* 154.8753@2.1090868 13453 9281 1 1 1 1 1 1 6471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16718 1 1 5874 31847 14064 1 12226 19183 18854 1 23247 1 1 22558 11074 1 1 1 1 18543 1 1 1 19892 1 19458 1 1 28348 13816 1 16070 22158 29802 19770 25163 18502 17438 1 27421 28212 36277 1 1 1 25204 25717 16949 15171 22701 28687 1 28141 1 1 23192 17984 30701 154.8753 *155.0082* 155.0082@1.9880913 1 1 1 1 1 1 1 1 25068 29186 1 1 1 1 7599 9732 1 1 10351 10159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7552 1 21081 27536 6627 4519 1 1 14215 8708 1 1 1 1 16372 14601 1 1 1 1 1 1 1 1 1 1 13416 14402 1 1 1 1 1 8412 155.0082 *155.0089* 155.0089@2.0075076 4605 4724 1 1 1 1 1 1 1 1 1 1 1 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 6884 6850 1 1 1 1 1 1 1 1 1 1 1 6684 1 1 3662 3494 3239 1 1 1 1 1 1 1 1 1 1 6819 5623 1 1 1 4344 4753 5722 8303 1 1 1 1 1 1 1 1 1 1 1 3122 1 1 1 1 1 1 1 1 1 1 7941 1 155.0089 *155.013* 155.013@1.9869773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1918 1 1 1 1 155.013 *155.0289* 155.0289@0.9672964 1 1 1 1 1 1 3640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 2725 1 1 1 1 1 155.0289 *155.0685* 155.0685@2.9643688 1 1 1 1 5140 5934 5207 5713 1 4149 9004 8317 1 1 1 1 1 1 4313 5394 1 1 3382 1 1 1 1 1 1 1 1 4217 5796 5006 1 1 1 1 1 1 4797 3483 1 1 4341 1 5076 5554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10669 9980 1 1 5260 5638 1 1 1 1 1 1 1 1 1 1 1 1 11897 10985 5066 1 1 1 155.0685 *155.9753* 155.9753@6.372277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9753 *155.98* 155.98@6.0864134 1 1 1 1 1 12346 1 4369 9557 24633 1 1 15649 7520 4880 1 1 1 5426 1 7409 2315 1 1 1 1 9799 9876 1 1 1645 1 4446 2122 1 4918 1 1698 2885 1 1 4229 6147 1916 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.98 *155.9801* 155.9801@6.189535 1 1 1 1 1 1 1 10214 1 1 1 1 28520 4054 4652 1 1 10960 5311 1 1 1 1 1 1 1 7949 7629 1 1 8901 1 1 8020 1 1 1 7196 2459 1 1416 1 1729 3326 2406 1 1 1 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9801 *155.9802* 155.9802@7.454072 1 1 1 1 1 17787 1 1 14517 1 1 1 7463 7727 1 1 1 1 4013 5148 1 1 1 1 1 5702 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 4377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9802 *155.9802* 155.9802@7.5429068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9802 *155.9803* 155.9803@4.392049 1 1 1 1 1 1 1 3570 1 1 1 1 10191 9397 1 1 7776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9803 *155.9803* 155.9803@4.8414836 1 1 1 1 1 1 1 3810 1 8063 4161 1 1 1 1 1 4190 4173 1 2040 1 1 4068 3825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9803 *155.9803* 155.9803@5.4424334 1 13366 26615 15172 10829 26022 26345 9584 8790 13211 10116 1 14296 4433 16564 12868 10358 12934 14654 9404 5230 1 6109 2885 5442 2681 5769 1863 6445 3414 1 1 4942 6352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9803 *155.9803* 155.9803@5.596778 1 1 1 1 6471 7768 1 3250 3488 5656 20352 1 11422 3212 1 5372 1 1 2873 14800 2561 1 1 1 3337 1903 6707 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9803 *155.9804* 155.9804@5.21544 18788 23361 14130 24371 14816 27890 16306 24089 12474 12689 11776 11155 10016 1 2974 13892 10360 8241 7710 5798 6315 1 5269 1 6688 6686 4224 2336 3853 1 1 1 2669 3930 1 1 1 2621 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9804 *155.9804* C7 H5 Cl S 23256 22239 31114 19806 20476 19784 15652 15476 15698 13689 14454 13561 5977 11447 11545 13344 11852 10670 9342 8347 8192 9012 8231 7114 7123 7946 6445 6760 6219 1 5571 5356 4056 4652 5324 4937 5139 4427 6431 1 4340 4252 4369 4759 2961 3285 3703 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9804 *155.9804* 155.9804@6.5560813 1 1 1 1 1 6904 1 6701 12930 1 1 1 5093 13566 3213 1 4378 1 3399 1 5588 9003 8130 1 1 1 6699 1 4710 1 13470 1 3278 8347 5166 5710 1 4373 3989 1 6966 1 2931 1 4265 1 2493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9804 *155.9804* 155.9804@6.1916437 1 1 1 1 1 1 1 1 1 1 1 1 27791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9804 *155.9805* 155.9805@5.822492 1 1 1 17238 23914 18121 1 13918 16504 1 1 1 8692 10369 7651 9166 1 1 7282 6714 1 1 1 5604 6222 1 6695 5420 5138 6624 4363 1 4220 3010 4263 3922 5017 3329 4837 3161 1 1 1 1 4813 2641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9805 *155.9805* 155.9805@5.9189806 1 1 1 1 40027 15099 1 12794 17072 1 1 1 6013 12010 9058 1 26364 1 2629 1 1 7560 1 1 1 4668 1 1 1 1 3110 1 1 3545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9805 *155.9805* 155.9805@6.9119887 1 1 1 1 1 12153 1 1 1 1 1 1 6954 1 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 6006 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9805 *155.9806* 155.9806@4.2761855 1 1 1 1 1 1 1 20482 1 1 1 1 11087 1 16565 1 5327 1 13921 11743 1 1 1 1 10816 11895 1 1 7121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9806 *155.9806* 155.9806@6.698819 1 1 1 1 1 9344 1 9305 29914 1 1 1 10613 20701 9119 1 1 1 6841 1 1 2368 1 1 1 7458 5395 1 3316 1 5455 1 7576 2778 4490 4292 1 8374 6726 1 1 1786 4320 1 1 1 4732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9806 *155.9807* 155.9807@5.186092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9807 *155.9808* 155.9808@4.655595 1 1 1 1 1 4542 1 5176 1 1 1 1 1 1 1 1 5400 6231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9808 *156.0086* METHYLMETHANE SULFONATE 11350 11786 1 1 4265 3927 2879 3454 7340 7321 17944 17413 7230 6502 1 6376 8303 9958 1 1 1 1 1 1 1 1 1 1 6333 6743 21271 23215 1 1 12805 12718 3861 2992 9345 9417 7801 8726 1 1 5225 5128 1 1 1 1 26868 26944 1 1 1 1 12692 13680 1 1 1 1 1 1 13143 12249 1 1 1 1 1 1 1 1 12991 13003 1 1 6146 9747 1 1 10173 10630 14205 14764 6643 6870 1 1 156.0086 *156.0103* 156.0103@1.0910487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3748 1 1 1 1 1 1 1 1 1 1 1 156.0103 *156.0769* C4 H8 N6 O 1 1 1 1 1 1 7688 6466 3009 3510 1 1 1 1 1 1962 1 1 8258 10367 1 2103 2480 2998 2180 2536 1 2172 4399 5660 2405 2646 3227 3111 1 1 3279 3748 2609 2383 5985 3496 1 1 3062 3769 5765 4449 4388 2493 4668 4963 2503 2753 2530 2944 4992 5427 4284 4633 4315 4217 3570 4069 10438 9695 4020 5297 3651 4407 2876 2689 1 1 2230 2362 3058 2737 10479 8905 5278 5085 10161 10412 10519 13292 1 1 6438 6965 156.0769 *156.0775* 156.0775@1.149287 1 1 1 1 1 1 1 1 1 2098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0775 *156.0847* 156.0847@1.3044609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31950 1 1 156.0847 *156.1053* 156.1053@1.1496112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.1053 *156.109* 156.109@1.1571925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 156.109 *156.1142* 156.1142@1.1573297 1 1 1 1 1 1 4152 4192 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 6302 2962 2877 1 1 1 1 3663 4206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3086 3066 1 1 2762 3660 2959 2966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4500 4868 1985 1 1 1 1 1 4818 4867 1 1 156.1142 *156.1179* 156.1179@1.153608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 1 1 156.1179 *156.1502* 156.1502@1.1882557 2683 2569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6003 5976 1 1 1313 1397 2195 2442 3574 3378 6498 6289 1 1 1 1 1 1 2648 2792 1 1 7315 6935 1 1 1119 1 1 1 1 1 7800 9139 1 1 1 1 1 1 1 1 2560 2631 1 1 1733 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4832 4222 1 1 1 1 1 1 1 1 156.1502 *156.1504* 156.1504@1.6343114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2939 2863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.1504 *156.1506* 156.1506@1.126701 3162 3399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 1854 2844 3187 2756 2756 6567 6511 1 1 1 1 1 1 2176 2012 1 1 3760 4147 1 1 1 1 1 1 1 1 3246 4358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 2372 1 1 1 1 1 1 1 1 156.1506 *156.9121* 156.9121@0.7732931 4949 5234 1 4432 3353 1 4635 4426 2000 6435 4018 4355 5899 6478 5544 6063 5031 5409 4548 4877 4982 5159 5742 5332 5874 5552 4192 4349 4142 4064 1 1 1 1 1 1 1 1 1 4171 4026 3827 8258 1 1 1 4362 1 5241 5385 2834 5256 4817 5629 1 1 4112 4647 3908 3567 4459 1 1 1 1 1 1 3580 4462 1 4548 1 1 1 1 1 1 1 1 1 1 1 1 3799 5529 5685 1 1 4966 4904 156.9121 *156.9131* 156.9131@0.76473445 1 1 1 1 1 1 1 1 4196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9131 *156.9572* 156.9572@0.6689553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4088 6402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9572 *156.958* 156.958@3.0351648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.958 *156.9584* 156.9584@3.026184 1 1 1 1 1 25831 1 7522 1 1 1 1 1 2817 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7263 1 1 1 3193 1 1 1 1 1 1 1 18107 1 1 1 2300 1 1 1 3019 1 7324 1 1 1 1 1 1 1 1 1 1 22825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2774 1 156.9584 *156.9584* 156.9584@3.171686 1 1 1 1 1 5019 1 5143 1908 1 1 1 4243 10473 1 1 1 1 1 1 1 9238 1 1 1 1 1 1 1 1 1 1 1 1 1 7279 1 3765 1 1 1 1 1 1 1 1 1 1 1 3818 1 1 1 2073 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3344 1 156.9584 *156.9584* 156.9584@5.148604 8021 7435 8095 4199 3260 8329 4394 5150 3677 6700 4166 13253 6359 7344 3632 9185 7228 7926 1 11081 10556 10717 6634 7532 6263 6150 3030 11315 1 1 3591 5226 10928 1 1 6252 1 6424 6009 2686 8298 3982 4085 1 7966 9839 15481 4899 7077 9331 4175 4017 7252 7375 14070 6569 3787 8502 9591 8008 7249 1 1 1 1 1 2173 5240 2271 7839 6877 5740 9204 9989 5409 1 5806 11455 1 1 4853 6703 2648 7994 16182 10212 1 11948 5109 3196 156.9584 *156.9584* 156.9584@5.359653 1 1 3693 1 1 1 1 1 1 1 6197 1 1 1 1 2863 1 1 1 1 3869 1 1 1 1 1 3512 1 1 1 1 1 3803 1 1 1 1 1 1 2104 1 6050 1 1 1 1 1 1 1 1 1 1 1 1 1 4667 3506 1 1 2598 1 1 1 1 1 1 3903 2349 1 3519 4632 1 1 1 1 1 1 1 1 1 1 4525 1 1 1 6909 1 1 1 1 156.9584 *156.9584* 156.9584@3.5461085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1688 1 156.9584 *156.9584* 156.9584@3.8592002 1 1 1 1 1 10121 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5535 1 17569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9584 *156.9584* 156.9584@5.8721194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9584 *156.9585* 156.9585@3.2770622 1 1 1 1 1 11528 1 1964 1 1 1 1 2048 1 2524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2951 1 2431 1 1 1 1 1 1 1 1 1 1 1 5194 1 1 1 3184 1 3292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7066 1 1 1 1 1 1 9057 1 156.9585 *156.9585* 156.9585@3.4542947 1 1 1 1 1 3796 1 3219 2800 1 1 1 2457 1 4413 1 1 1 3869 1 1 5950 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 14548 1 1 1 1 1 1 1 12027 1 1 1 2859 1 1 1 4965 1 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7031 1 1 1 1 1 1 1 1 1 1 9738 1 1 1 1 1 1 2777 1 156.9585 *156.9585* 156.9585@3.6472416 1 1 1 1 1 2061 1 2931 1948 1 1 1 3253 6948 2304 1 1 1 1960 1 1 4974 1 1 1 1 1 1 1 1 1 1 1 1 1 3848 1 2705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5693 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8700 1 1 1 1 1 1 1850 1 156.9585 *156.9585* 156.9585@4.1552243 1 1 1 1 1 8546 1 8315 6441 1 1 1 5327 6617 9787 1 1 1 19909 1 1 6009 1 1 1 1 1 1 1 1 11870 1 1 1 1 2472 4911 11660 1 1 1 1 1 1 1 4166 1 1 4836 15353 1 1 1 5762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6133 1 1 1 1 1 1 1 1 1 19385 9668 20493 1 1 1 1 1 18188 20711 156.9585 *156.9585* 156.9585@4.886811 1 1 1 1 1 1 1 2299 1 1 1 1 5647 4438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7195 1 4207 1 1 1 1 1 1 1 1 1 1 1 1 3563 1 4633 1 1 1 1 7508 1 1 1 1 1 1 1 1 1 1 4848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6158 1 1 1 1 1 1 156.9585 *156.9585* 156.9585@2.76701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13866 1 1 1 1 1 1 1 1 1 1 1 10588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5695 1 1 1 1 1 1 1 1 5804 1 1 1 1 1 1 1 1 1 156.9585 *156.9585* 156.9585@5.324605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9173 1 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15773 1 1 1 1 1 1 1 1 156.9585 *156.9585* 156.9585@3.1933982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9585 *156.9586* 156.9586@3.9525135 1 1 1 1 1 4600 1 5608 6151 1 1 1 3646 1945 1 1 1 1 1 1 1 1706 1 1 1 1 1 1 1 1 1 1 1 28889 1 2332 1 3263 1 1 1 1 1 1 1 8110 1 1 10461 1 1 1 1 12164 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5734 1 1 1 1 1 1 1 1 1 1 6080 1 1 1 1 1 1 5279 1 156.9586 *156.9587* 156.9587@4.7188125 1 1 1 1 1 1 1 4571 3740 1 1 1 2653 2400 3671 1 1 1 1 1 1 1 1 6076 1 1 1 1 1 1 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 4141 1 1 1 6097 5199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9587 *156.9587* 156.9587@5.0070853 11874 8342 9392 7327 9054 1 5284 1682 7562 1 9332 1 10863 2143 9257 10652 4658 7986 6307 1 1 1 1 1 6636 1 9162 1 1 1 4815 1 4705 1 1 2611 1 1 1 3860 1 9890 8682 1 1 8946 8413 10211 2220 1 7684 7451 12570 6857 1 4393 2809 7995 1 11464 1 1 1 1 1 1 4150 3605 6583 13768 1 1 1 1 6110 1 1 9405 1 1 1 3838 5638 3273 1 3290 1 1 1 4013 156.9587 *156.9588* 156.9588@2.618232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16978 16908 1 1 1 1 1 1 9270 10147 1 1 1 1 1 1 1 1 1 1 10148 11295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7024 1 1 1 1 1 1 1 1 1 1 9413 1 1 1 10277 8032 1 1 1 1 1 1 7907 11111 4610 15028 1 1 1 1 1 1 1 1 156.9588 *156.9589* 156.9589@3.7542727 1 1 1 1 1 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9589 *156.959* 156.959@4.113981 1 1 1 1 1 2288 1 1 1 1 1 1 4832 9255 1 1 1 1 1 1 1 5521 1 1 1 1 1 1 1 1 1 1 1 1 1 5478 1 4400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.959 *156.959* 156.959@4.388804 1 1 1 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 1 1 1 4111 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.959 *156.9592* 156.9592@4.227107 1 1 1 1 1 1 1 1 1 1 1 1 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.9592 *157.0763* 157.0763@1.1520861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 1 1 1 1 157.0763 *157.9603* 157.9603@3.15804 1 1 1 1 1 1 1 1 7687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8778 3927 1 1 1 5427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9603 *157.961* 157.961@3.361186 1 1 1 1 1 1 1 1 4370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.961 *158.0035* 158.0035@1.0858606 1 1 1 1 1 1 1 1 1 1 143977 147135 1 1 1 1 1 1 1 1 1 1 153389 162737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56142 55701 1 1 158.0035 *158.018* 158.018@5.7584906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.018 *158.0182* C10 H6 S - 5.7642975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3647 1 1 3238 1 7007 1 4398 4622 1 3252 2609 1 1 6281 7091 1 1 12667 1 1 4266 5708 2072 4793 1 1 3537 2777 7370 4945 9775 3537 3700 1 1 8615 3295 7281 5859 3029 8378 7977 3678 6251 1 6831 6707 1 3874 7892 7499 7721 7828 6704 1 10210 1 9928 4768 5529 5299 1 8589 1 4841 9913 1 1 8543 1 11364 1 12063 1 10193 158.0182 *158.0183* C10 H6 S 1 1 1 1 1 1 1 1 1 1 1 1 2438 2514 1 1 4750 2548 5302 6548 3913 1666 3533 2338 3050 1 3269 1 1 7669 1 5866 4436 3878 4797 4745 4252 1 1 4295 1820 3066 2187 1 2195 5350 4187 1 2329 3217 4809 1467 4211 4419 1 9156 3918 1 4107 6504 5429 5235 2587 1 3979 1 5579 3400 1723 1 4155 1 2819 2665 3598 1 5839 1 5497 4642 1 6170 1 4572 1 1 1705 1 6597 4374 158.0183 *158.0183* 158.0183@5.6437497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10055 1 7263 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 4236 1 1 1 1 1 1 1 1 9296 2517 1 1 1 4484 1 12077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16647 1 1 1 1 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0183 *158.0183* 158.0183@4.867339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3539 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0183 *158.0184* 158.0184@5.5491486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 3958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0184 *158.0185* C10 H6 S - 5.6004148 1 1 1 1 1 5616 1 1 1 1 1 1 7476 1 1 4896 2730 3634 1 2791 1 4110 6573 1 9594 13100 11551 1 10403 10901 4581 6354 4456 1 1 6618 12281 12700 12065 1 1 1 2148 2384 5801 5275 5546 8830 5307 5444 1 5878 8572 2774 11601 11700 12560 10051 8146 1 1 1 3145 4971 14271 14129 3680 15923 5713 1 1 13702 6570 12947 5958 15709 11857 12846 1 9363 17539 27376 1 12603 15380 16454 2935 1 1 5854 158.0185 *158.0432* 158.0432@1.9314412 1 1 1 1 1 1 1 1 3172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 6065 1 1 1 1 3920 1 3826 1 11714 4515 1 1 1 1 1 1 1 3429 1 1 1 1 1 1 1 1 158.0432 *158.0433* 158.0433@2.1217742 1 1 6782 1 11825 1 1 1 4780 1 1 1 9873 1 1 1 1 3579 8835 1 9815 7176 1 1 1 1 1 1 1 1 6855 1 3956 1 1 1 1459 9535 1 1 1 1 18317 16571 1 1 16016 10387 16791 1 1 1 7454 6098 1 1 1 1 1 1 1 18524 1 1 3159 1 1 1 1 13460 4047 1 5548 16427 1 15717 20347 1 1 1 6341 1 1 5443 1 1 1 1 3706 5545 158.0433 *158.0436* Allantoin - 2.1175833 4030 1 2811 11595 1 9453 4037 6211 7986 7830 4934 1 1 15127 1 1 5867 2820 3204 2391 3572 1 11353 1 1 7161 11809 15677 14124 1 8742 16867 1 1 1 1 1905 6029 17158 1 11029 19097 1 7041 16351 17632 2054 4893 3071 4334 23504 9782 1 4808 8904 18066 1 1 21756 17347 18600 1 1 1 4402 13090 15765 10046 1 1 11508 17765 1 1 15417 1 1 9615 9620 1 2866 16733 1 26368 15499 19631 8692 1 6143 4715 HMDB00462 C01551 158.0436 *158.0443* Allantoin - 1.7900012 14853 15660 5938 11936 18982 17149 34378 9789 2522 17892 13257 1 12339 13894 14154 1 13144 13145 12810 24275 9270 12670 17835 17443 7667 13931 16346 18030 11750 14347 21659 23519 11233 1 22348 21193 14591 7046 12542 11954 21899 3133 5037 13813 17801 3994 2467 3952 22173 24854 15320 1 14093 13660 13056 13420 1 22600 1 9228 32994 7254 1 2470 9466 6219 15838 25561 15783 14320 12715 20656 8879 2944 3080 10593 15882 14921 1 1 1 13028 6385 18308 19025 4545 1 1 3068 27982 HMDB00462 C01551 158.0443 *158.0446* Allantoin 1 1 12408 6822 1 1 18487 44729 17113 1 6273 18239 1 1 1 1 1 1 9672 1 5506 1 1 1 6786 1 1 1 1 1 1 1 22508 22423 1 1 1 8474 1 1 1 5104 10239 1 1 14409 30805 26281 1 1 7165 22274 1 1 4648 10279 34673 10358 12010 1 1 26959 21017 12195 1 5290 11119 1 1 4717 6325 1 3515 1 12923 1 4567 1 33962 35622 22528 6860 17017 6770 11490 24908 19353 19898 24013 1 HMDB00462 C01551 158.0446 *158.0497* 158.0497@1.7284164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5280 1 1 1 1 1 1 1 1 1 1 1 1 158.0497 *158.0536* 158.0536@1.7040424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 1 1 1 1 1 1 1 1 1 1 1 1 3653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 3215 1 3179 1 1 1 1 1 4741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0536 *158.0558* C3 H6 N6 O2 3174 3225 3979 3504 3752 1 21533 23642 1 1 9696 1 2396 3596 4059 5853 1 2502 4487 3231 1 6074 1793 1 1 3234 3647 1 5704 1 4635 1 1 12598 3983 4473 1 1 4855 5915 1 1 1 2473 7454 7853 7654 8309 5731 5198 11738 12206 3703 2942 4469 1 1 1 7488 1 1 1 10919 10421 1 1 1 1 3663 1 2761 3740 3847 4226 1 1 1 1 14194 1 7030 1 6172 4674 8027 10210 17026 16740 6740 8158 158.0558 *158.0573* 158.0573@1.017575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3671 4000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0573 *158.0594* 158.0594@3.9638586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3398 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0594 *158.0606* 158.0606@4.2689676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 3746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0606 *158.062* 158.062@4.217967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55900 54298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.062 *158.087* 158.087@1.1358309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.087 *158.09* 158.09@1.8237256 5302 1733 1 1 1 1 1 4509 1 1 1 1 1 2354 1 4517 1 1 1939 6975 1 1 1 1 1 1 1 1 5293 1924 1 1 15709 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 1 1 1 1 3538 1 1 1 3359 1 1 1776 2890 5733 8479 1 1 4776 5034 1 1 1 1 1 1 5276 3701 1 1 2394 1 3558 1 1 5247 1 6855 158.09 *158.0924* 158.0924@1.2927759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5241 5159 1 1 1 1 158.0924 *158.0925* 158.0925@1.9633751 1 1 1 1 1 1 32249 32567 1 1 6912 6718 1 1 1 1 1 6905 7513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17041 1 1 18924 15436 1 1 1 1 1 1 1 1 1 1 15954 12433 1 1 13531 11364 1 1 1 1 19776 1 29761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44810 1 1 1 1 1 158.0925 *158.0926* 158.0926@1.9690766 1 1 1 1 1 1 1 1 1 1 1 1 1 8342 1 1 1 1 1 1 1 1 8672 8955 1 8417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22762 15625 1 1 18053 20465 1 1 1 1 1 1 1 1 1 1 30711 34335 1 1 1 5546 1 1 1 22878 16260 1 15734 1 1 1 1 1 1 9886 1 1 1 1 1 1 33120 1 1 51255 1 1 21416 1 158.0926 *158.0927* C4 H10 N6 O 8584 9428 7322 7639 7676 7551 1 4841 10350 12444 1 1 8675 3320 6333 7484 4935 1 14103 16211 4642 7445 2211 7934 7351 5307 5652 7408 8565 8708 9785 9091 1 1 11176 4942 9792 4003 9332 10581 9034 9832 3672 4986 7458 1819 16910 13587 5706 4991 25281 24684 6967 7021 10314 10839 10422 8285 5618 22134 8581 25936 10044 11031 28077 6874 3490 16602 4456 18244 8195 7786 6688 5793 9450 5039 7025 7502 23618 22115 19462 19955 5494 34473 9762 11626 6159 6200 5570 22327 158.0927 *158.0927* 158.0927@1.8937359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 1 1 1 5469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 158.0927 *158.0932* 158.0932@1.1592633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7548 8100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6651 6762 16223 1 1 1 1 1 1 1 1 1 1 1 1 8415 1 4159 1 1 1 1 4906 1 1 1 1 1 1 1 1 1 1 1 2775 4470 2852 2784 1 1 158.0932 *158.1113* 158.1113@1.0846964 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 1 1 1 1 1 1 2701 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.1113 *158.9077* 158.9077@0.7701765 131499 131569 104996 105224 79538 79682 105431 107780 158092 154787 101409 107093 148157 150153 142014 141361 119721 121518 113947 110887 116798 117389 133400 142498 130752 129588 99413 100928 101396 101050 34794 68274 21774 10104 89553 76973 78082 88587 84884 89980 91499 93756 201573 200724 76172 74432 98440 94888 122205 116828 128018 124076 126878 126166 72877 70994 92579 100402 93297 89584 104344 79717 27408 24980 54622 53800 88002 80916 99976 79304 101925 95376 50429 51117 90266 87518 91282 90050 43833 46950 56621 57695 89951 98957 137671 138885 98215 98776 113677 115129 158.9077 *158.9084* 158.9084@0.8360683 1 1 1 1 1 1 2792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4404 1 1 1 1 10151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10733 1 1 1 1 1 1 1 158.9084 *158.9167* 158.9167@0.9338056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9167 *158.9205* 158.9205@0.87451005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9205 *158.9272* 158.9272@0.86452955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3644 1 1 1 2722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9272 *158.9322* 158.9322@0.88817185 1 1 1 1 1 2341 1 1 1 1 1 1469 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9322 *158.9379* 158.9379@0.6581097 1 1 7478 1 1 7023 1 5917 4933 1 8879 7932 1 1 8604 10344 1 1 10149 7428 1 1 9533 8717 9590 9333 10795 9581 5642 10879 1 5797 1 1 1 1 1 1 9454 12545 1 8418 5274 1 1 7215 1 6570 1 5341 8920 10139 6090 1 8529 1 9725 1 6816 4794 6906 1 1 1 4765 7069 1 2134 1 1 1 9138 8825 1 1 9628 1 1 6678 8310 1 1 11853 10174 8990 5679 9886 5298 1 8259 158.9379 *158.938* 158.938@2.0214107 1 1 1 1 1 2852 1 1 1 1 1 1 1 1 1 1 7147 1 1 7069 1 1 1 1 1 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 1 8899 7929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7456 1 1 1 7655 1 1 1 1 1 1 1 1 1 1 1 1 1 158.938 *158.9381* 158.9381@1.9755607 20486 21898 18383 21877 17604 16270 18668 8124 21244 14026 16250 15393 16303 20143 13927 13807 10791 15663 20163 10191 15024 16597 15256 16650 13610 13612 13379 16762 18972 14812 15647 13703 23928 21218 11648 12387 12634 16623 12404 14100 18352 11453 16051 16259 6466 4566 14396 14260 13594 17647 12099 15504 13777 15532 13006 14184 15026 14172 14534 13341 12982 12456 20662 14416 15318 15541 17760 14239 12235 14263 12787 12360 17436 22082 12587 17356 5761 14341 12945 13637 14828 11304 13376 14626 11292 10857 15663 11645 11650 15080 158.9381 *158.9382* 158.9382@1.2965194 1 1 1 12391 11496 11892 1 5103 7732 9181 1 9953 1 5154 3201 1 1 1 5309 8080 1 9182 1 6438 1 1 8623 1 3576 8662 10706 1 8356 3230 9908 12848 11793 12951 1 1 4635 1 10513 8067 1 6962 9767 10043 6179 7322 8244 1 13143 13599 10267 6464 1 5414 7998 13762 10829 1 12064 1 5605 1 1 8496 1 11725 7089 5358 1 1 9205 7659 4797 10656 1 1 16223 5835 1 4491 1 1 1 1 1 2567 158.9382 *158.9383* 158.9383@1.0269766 1 5988 1 1 1 1 5911 1 1 1 1 1 5469 1 4769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6228 1 1 1 4982 1 1 1 3020 1 1 1 1 1 1 1 1 2139 1 1 1 1 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 1 1 1 1 1 1 1 1 1 1 1 1 1975 1 1 1741 1 1 158.9383 *158.9383* 158.9383@1.45871 1 1 1 1956 1 3148 1 1 2731 1 1 1 1 1 3663 1 1 1 1 1 1 1504 1 5510 1 1 1 1 1 1 4848 1 1 4124 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 6196 5297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13509 4686 1 1 1 1 1 1 1 1 158.9383 *158.9384* 158.9384@1.1350145 6322 3039 1 4192 10993 3017 4361 3864 5799 7006 8680 8335 2373 4549 3655 8319 19128 17940 8568 9491 8426 4406 10387 9555 5257 5658 2195 4398 15138 7045 10605 3713 27432 2254 4201 5168 12017 3881 9510 12755 7138 9051 4018 9473 6284 5833 2648 3393 7665 3467 15748 13533 16085 8649 4604 7789 7506 4575 2216 3940 2781 4795 5164 7935 28064 26663 10279 3119 2430 3577 4185 4469 5256 5181 8632 4109 5712 5354 4003 3086 5078 5643 4476 4380 4459 3609 10287 1944 12739 2842 158.9384 *158.9386* 158.9386@1.0809783 1 4632 1 1 1 7518 6231 1 1 1 7144 7219 2969 6119 2779 1 1 1 8083 9121 1 7907 8370 7108 1 5875 4951 1 1 3899 1 8804 1 19474 1 1 1 8200 1 1 1 1 1 1 6793 7263 6133 8230 1 1 1 1 1 5384 1 1 1 7953 6779 7156 1 1 1 1 1 1 1 1 1 1 10135 5411 1 1 1 5215 5521 1 7327 5865 9767 1 4152 4050 7963 5928 1 9819 1 4957 158.9386 *158.9394* C3 H4 Cl3 N 11191 10267 10336 8709 8953 7219 1 8707 7616 1 10110 6952 7190 9194 4224 9159 1 10043 4823 7004 8408 13736 7026 5426 1 8951 7507 1 1 1 11935 11897 6999 9375 1 8520 8873 9560 10949 11070 7898 1 1 10227 1 8310 9361 10283 8421 5590 12353 14063 10329 7689 1 6430 1 10214 9283 7791 4447 8061 1 1 1 6962 3502 1 1 3057 1 8306 7787 1 1 8865 1 8254 1 6261 9794 10020 1 1 1 1 13399 12105 1 1 158.9394 *158.94* 158.94@3.2149174 1 1 1 1 6938 1 1 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.94 *158.9403* C3 H4 Cl3 N - 2.941161 1 1 21230 1 4112 12014 1 17496 1 1 1 6492 1 19862 7215 9197 9082 16558 7576 1 1 13174 22039 14708 14489 1 4505 1 21033 5593 12239 1 8700 6832 19589 16121 1 5601 1 1 1 19833 9789 1 1 5712 1 1 11287 4117 3026 5446 2272 7874 4770 1608 1 1 1 1 1 1 6318 1 7246 11302 4009 1 7443 1 10494 3849 1 1 1 10299 13531 7854 2582 18822 12362 14590 1 9782 1 5117 1 1 10746 1 158.9403 *158.9407* 158.9407@3.0309842 1 1 1 1 3234 1 1 1 1 1 1 1 1 9131 9522 1 5773 1 6852 1 1 1 2275 1 1 1 5791 1 3643 1 1 1 1 2762 1 11132 1 7629 1 1 1 1 3559 1 1 5066 1 1 1 1 1 1 11075 1 1 1 1 1 1 1 1 1 1 1 1 1 7805 1 1 1 4105 1 1 1 1 1 1 1 1 1 1 5754 1 1 1 1 1 1 1 1 158.9407 *158.9409* 158.9409@2.959613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 1 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.9409 *159.0262* C4 H5 N3 O4 1 1 4122 4652 3059 8760 7012 5385 8756 4723 5176 5383 4985 6771 1 1 1 1 4915 3415 6764 7142 5652 7114 1 2789 6850 3798 2917 1 5405 7292 4041 1 10312 10272 1 1 1 4318 6449 5100 6086 8424 6087 4527 9081 7855 8872 6293 1 1 3695 7969 5230 1 8723 5186 2823 1 5094 4692 6462 7756 4514 3988 4090 5005 7838 8369 7380 7007 5822 6025 4878 5402 5246 3521 1 4598 5601 4090 8255 7654 2854 4194 1 1 8179 7845 159.0262 *159.0268* 159.0268@1.4494747 1726 3939 1 1 4841 2379 1 3413 5372 2290 3552 6098 3432 2096 1 1 1 1 5166 5317 1 5860 5206 4974 1 1 1 1 5374 1 4636 3749 3411 4239 6774 6669 4308 4192 1 1 5216 4656 4874 4292 1 1 4794 3048 3448 4482 1 1 5041 4269 1 4606 1 3988 1 1 1 1 1 3906 1 1 3012 1 5214 5706 8360 8442 1 1 1 1 3687 1 1 1 4212 3434 2981 3335 1 1 4346 1 5073 4258 159.0268 *159.027* 159.027@1.3753481 1 1 1 1 5811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 5441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.027 *159.0273* 159.0273@2.8460662 1 1 1 1 4845 5689 2733 1860 7581 6430 1 1 1626 9066 1 1 1 1 5336 6781 1792 1 6031 1 4097 6168 1 1 1 1 4027 6003 4160 3715 11041 6024 1 4386 1 1 1 1 1 1 1 1 6029 1 1 2830 1 1 10562 8404 1 1452 1 5950 7940 1 1 1 5903 1 8496 1 1 9872 11772 8638 9677 10017 1 1 9305 4350 6402 1 5349 5052 8253 8261 7936 9757 1 1 12058 8936 5231 5154 159.0273 *159.0273* 159.0273@2.0462487 1 1 1 1 6555 1 1 1 10091 1 1 9044 1 1 1 1 1 1 12114 1 1 1 1 10458 4879 6205 1 10536 1 1 1 8830 1 1 1 1 8097 13322 1 1 1 1 1 1 11301 5237 10505 1 8764 1 1 1 1 12748 1 7021 1 1 1 9371 8327 1 14682 1 1 10791 12863 1 1 1 13390 12845 8339 1 1 13621 1 1 1 10909 6100 1 1 1 1 1 1 1 1 8793 159.0273 *159.0276* C4 H5 N3 O4 - 2.0779557 15195 3844 19235 20149 8968 28620 27914 25331 21059 6813 20842 16896 30498 14430 4861 13588 1 11626 17044 27652 1 24556 6985 13061 9824 9777 24912 15591 14506 1 31594 23373 21214 26213 1 1 6677 20404 10656 11156 30663 28714 37680 30811 10938 17609 18464 36276 14431 30057 27287 30367 10910 10945 27691 18068 30021 1 33160 20088 16789 25322 17795 30503 1 13051 11836 33385 1 29583 18702 12801 23090 39136 33609 14860 25846 32909 27273 19427 23361 6652 26649 26419 1 8549 31218 30403 1 24769 159.0276 *159.0278* 159.0278@2.207806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 1 1 1 1 4033 1 1 1 1 1 1 1 1 1 1 1 1 2861 1 1 1 8269 1 6373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0278 *159.0287* 159.0287@2.8010302 1 1 1 1 1 1 1 2462 1 1 1 1 7347 1 1 1 1 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1374 1 1 1 1795 1 1 1 1 1 2148 1 1 2248 1 1 1 1351 1 1 1 1 1 1 1 3103 1 1 2019 1 1992 3073 1 1 1 1 1 1 1 1 1 1 1 1 3128 2868 159.0287 *159.0445* 159.0445@1.1027883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3941 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3357 5148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0445 *159.0637* 159.0637@2.548165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5113 5561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 2500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 3026 3738 1 1 1 1 1 1 1 1 159.0637 *159.0877* 159.0877@3.063792 1 1 1 1 1 1 1 5421 1 1 1 1 1 1 1 1 1 1 5060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5295 5251 1 1 1 1 1 5234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7406 7905 1 1 1 4786 1 1 1 1 1 1 159.0877 *159.0888* 159.0888@1.8693608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3761 4369 4301 3943 1 1 7411 6547 4289 4330 1 1 1 1 1 1 1 1 4433 4111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6541 6248 7964 7743 4243 4166 1 1 8666 8352 1 1 1 1 10936 11321 1 1 4560 4329 5369 5183 1 1 1 1 159.0888 *159.9471* 159.9471@1.983069 1 1 5326 1 5286 5619 10901 8032 1 6196 5277 5582 4864 1 5562 4917 1 4504 1 5398 5212 5478 4668 1 4400 3954 4899 4592 1 5283 5208 3903 1 1 3819 3897 4775 1 4337 4795 1 4631 5484 5275 5227 1 3868 4992 4636 1 4621 5806 4983 4426 5814 4960 5428 6485 5868 5242 4974 1 1 4801 4735 4998 1 1 1 5122 4815 1 1 1 1 1 5611 4534 5512 4756 5300 4988 5662 5138 5319 5862 1 1 5437 5293 159.9471 *160.0175* 160.0175@1.8976645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0175 *160.0186* C6 H8 O3 S 1 1 1 1 1 1 4714 1 1 1 1 1 1 1 3791 14179 4470 1 1 1 1 1 1 1 17811 10263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7173 1 1 1 1 1 1 11250 12969 13205 15196 1 1 10409 5743 1 1 1 9124 1 1 1 1 1 1 1 1 1 1 1 10545 1 1 1 1 1 1 1 1 12336 8158 23228 5257 8588 4978 10677 5659 4952 1 160.0186 *160.0187* 160.0187@1.8816098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6290 1 11788 1 4975 1 1 1 1 160.0187 *160.0203* 160.0203@1.5395458 1 1 1 1 1 1 3715 4678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0203 *160.0363* 160.0363@0.7090613 1 1 1 1 1 1 3218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0363 *160.0392* 160.0392@2.0215392 1 1 1 1 1 1 7146 8708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0392 *160.0498* 160.0498@1.9787043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5357 1 1 1 1 160.0498 *160.0655* 160.0655@1.9665406 1 1 1 1 1 1 4489 2995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0655 *160.0702* 160.0702@2.1855984 1 1 1 1 1 1 3525 3851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3902 3947 1 1 1 1 160.0702 *160.0711* C7 H12 O4 1 1 5487 3776 5868 5422 1 1 1 1 5480 4179 3483 4663 6237 6007 1 1 7255 6330 4593 5792 1 1 1 1 5270 5157 1 4962 5845 1 2182 1 1 1 1 1 6181 1 1 1 1 1 6425 1 5851 5356 1 4134 1 4919 7985 7042 1 4593 2573 2133 1 1 5154 5181 1 3350 4674 3912 1 2484 1 1 1 1 1 1 1 1 1 1 1 4044 1 1 1 1 10302 1 8070 6199 5574 5887 160.0711 *160.0719* 160.0719@1.3911082 1 1 1 1 1 1 15878 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 1 14370 13369 1 1 1 1 1 1 1 6397 5283 7724 1 1 1 1 2371 5967 1 1 1 1 1 1 1 1 1 1 8200 2859 1 1 1 1 5007 5791 1 1 1 1 5411 6300 7016 8485 1 1 1 1 9470 7209 1 1 1 1 1 1 10849 10715 7724 8284 1 1 2933 1 2481 3430 1 1 160.0719 *160.0728* 160.0728@1.6438311 1 1 1 1 1 1 12999 13591 1 1 17595 17421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13691 12897 1 1 5147 5079 1 1 1 1 1 1 3468 3417 1 1 1 1 1 1 1 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45426 45120 5132 5579 1 1 1 1 1 1 1 1 1 1 4888 5294 1 1 1 1 1 1 1 1 160.0728 *160.0821* 160.0821@3.6966438 1 1 1 1 1 1 3790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0821 *160.1068* 160.1068@1.9906535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3312 1 1 160.1068 *160.109* 7-Hydroxyoctanoic acid 6448 6457 5578 7063 7147 8025 17443 15201 6735 6400 7484 8333 12143 10183 7046 6909 62747 64414 11523 11342 8381 8555 8613 8898 8405 7769 9020 8576 18459 18405 13857 15051 17461 18656 5367 5315 14379 15124 14267 14523 8590 8871 6617 5892 14482 14109 11554 12475 17853 17576 74608 65830 10312 9194 9325 10109 14859 15584 45191 33549 10286 9418 11756 12668 10443 9096 11714 12062 8052 7410 9485 9539 12639 13550 36061 36289 35536 32901 17560 16862 21504 4295 13435 13941 84892 84151 63904 61017 8630 8734 HMDB00486 160.109 *160.109* 160.109@1.2811763 1 1 1 1 1 1 1 4503 1 1 1 1 1 1 1 1 1 1 3875 4632 1 1 1 1 1 1 1 1 4946 6330 5068 4652 5837 8037 1 1 6753 6153 4616 4352 1 1 1 1 1 4478 4549 3690 5170 6154 1 1 1 1 1 1 4474 4419 1 6545 1 1 4602 1 3203 1 1 3718 1 1 1 1 4521 4356 12255 12370 12442 16086 4370 1 6232 7323 3549 3415 1 7763 1 10521 1 1 160.109 *160.1092* 160.1092@1.1876714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23528 1 1 1 1 1 1 1 1 160.1092 *160.124* 160.124@1.1392231 1 1 1 1 1 1 1 1 1 1 1 1 9958 10892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.124 *160.1244* 160.1244@1.088135 1 1 1 1 1 1 1 1 1 1 1 1 53472 7070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.1244 *160.9054* 160.9054@0.804563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.9054 *161.0457* 161.0457@1.1241717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 3231 1 1 1 1 1 1 1 1 1 1 1 1 161.0457 *161.0679* 161.0679@2.9823537 1 1 1 1 1 1 4699 7245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 4335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3301 3353 2806 3082 1 1 1 1 4530 4108 1 1 1 1 1 3457 1 1 1 1 3882 3493 1 1 2406 3748 1 1 1 1 1 1 1 1 1 1 4989 5112 1 1 1 1 1 1 4098 1 1 1 161.0679 *161.8485* 161.8485@2.0588346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35196 22852 1 1 21632 1 1 1 1 1 1 1 1 1 1 39876 1 1 1 1 1 1 1 1 1 47109 1 1 1 1 25922 1 1 50767 1 1 50787 1 1 25553 1 1 161.8485 *161.8485* 161.8485@1.1635015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45693 1 1 1 1 1 1 1 27743 1 1 1 1 1 1 161.8485 *161.8486* 161.8486@1.1100926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122110 1 1 74027 99341 86252 62952 62290 77418 52433 1 1 84291 88860 57042 53791 56668 54584 1 72207 79040 75884 1 105379 114800 122002 82873 82774 96680 80175 1 1 49383 56389 1 1 54036 1 1 121065 70939 74563 118710 86987 82878 61202 1 1 96485 92153 81556 75639 85042 71653 75484 1 106715 94146 78922 98505 161.8486 *161.8489* 161.8489@1.2193993 150158 148782 88396 91866 74733 71220 83041 70557 65720 58587 57439 52109 1 53065 44390 1 1 50408 1 45575 1 1 1 1 1 1 1 37606 1 1 159129 152401 158638 198205 193622 177601 203418 192746 155630 144934 171207 165468 151104 157632 131962 157779 159542 210326 173488 178714 156434 152447 175701 172116 172450 168978 184037 165449 187506 177697 180727 232743 153950 156696 243149 237823 218948 191435 175217 174214 199189 207807 182032 202825 178993 174276 192974 169474 189833 168825 204001 197162 180898 164987 214964 196121 233211 230446 177667 173307 161.8489 *161.9424* C3 H5 Cl3 O 1 1 1 1 1 1 1 1 2980 2897 1 1 2944 1 3546 3246 3265 1 1 1 2791 2723 1 1 2968 1 2732 3221 1 3541 1 1 1 1 1 1 1 1 1 1 1 2819 2707 1 2705 2871 3852 2748 2942 1 3369 3582 3471 2961 1 1 2894 1 1 3695 2386 3047 3608 1 1 1 1 1 3382 1 3247 2585 3495 1 1 3624 1 2468 2759 1 2869 3190 3941 1 1 1 1 4002 1 3251 161.9424 *161.9636* 161.9636@0.9888318 1 1 1 1 1 1 1 6593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9294 5092 1 1 5098 10736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.9636 *161.9643* 161.9643@0.96199006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.9643 *162.0186* 162.0186@2.6180742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8946 6076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5176 1 1 1 1 162.0186 *162.0312* 162.0312@0.7364676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 1 1 1 1 1 1 1 1 1 1 6022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0312 *162.0314* 162.0314@1.1858131 1 1 2183 1 1 1 1 1 1 1 2572 2336 2909 3581 3130 2341 1 1 1 1 1 1 1 1 1 1 4689 3356 1 1 1 1 1 1 1 1 1 1 1 1 5743 8130 1 1 1 1 1 2839 8264 7681 1 1 4408 5519 1 1 1 1 1 1 1 1 1 1 1 2614 1 1 3012 2910 2892 2611 1 1 1 1962 1 1 1 1 1 1 1 1 5935 5430 7806 8162 1 1 162.0314 *162.0325* 162.0325@2.8620872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0325 *162.0439* 162.0439@2.8300655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11982 10741 1 1 1 1 1 3513 1 1 4489 4587 1 1 1 8497 1 1 1 1 1 1 1 1 7675 6743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4788 1 1 12294 13347 1 1 1 1 162.0439 *162.0495* 162.0495@2.8287277 1 1 1 1 4317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9643 10132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9846 6274 1 1 7642 1 3549 1 1 1 1 1 11479 8085 1 9320 1 1 1 1 1 1 1 4504 4943 1 1 1 1 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0495 *162.0498* 162.0498@2.5154278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6622 1 1 162.0498 *162.0499* 162.0499@1.3895235 1 1 1 1 1 1 1 1 5198 6605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0499 *162.0522* 162.0522@2.8222985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0522 *162.0782* 162.0782@1.9939435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5172 5396 1 1 1 3876 162.0782 *162.0831* 162.0831@1.9965683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5679 1 1 1 1 1 1 1 1 1 1 1 1 5730 1 1 1 1 4527 4550 1 3592 1 1 4698 1 1 1 1 1 1 1 1 1 7783 1 5203 2973 2947 4384 6233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0831 *162.0877* C3 H10 N6 O2 1 1 11647 11320 9833 9140 35315 34952 5972 6462 3206 1 1 1 1 1 1 1 13028 13804 1 1 6014 1 1 1 9150 8848 8538 9979 1 1 11173 12629 1 1 1 5014 1 1 5524 1 1 5279 1 1 1 1 1 1 6787 6472 1 1 5451 6096 7087 1 5770 1 1 1 1 1 11545 11087 13234 14154 6188 6246 9643 9028 2734 8054 1 1 1 1 33393 33860 8477 9730 7383 7743 1 1 5395 5347 1 1 162.0877 *162.1402* 162.1402@1.0842216 1 1 1 1 1 1 1 1 1 1 1 1 84902 87914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3794 3307 1 1 1 1 1 1 1 1 162.1402 *162.9184* 162.9184@0.912325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 1 3249 3020 1 1 1 1 1 1 3617 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2886 3200 1 1 1 1 4634 4176 3070 2727 1 1 1 1 1 1 3045 2878 3438 3898 3267 2820 3334 3048 1 1 162.9184 *162.9774* 162.9774@2.838133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4653 4407 1 1 1 1 162.9774 *162.9934* 162.9934@0.8774097 22124 23380 5966 5609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22326 22638 1 1 47875 47379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7491 8125 1 1 1 1 93257 90158 10978 10401 1 1 1 1 1 1 1 1 1 1 1 1 3702 3575 1 1 1 1 37039 37804 3963 3865 1 1 1 1 1 1 1 1 10305 9192 1 1 1 1 162.9934 *163.0264* 163.0264@1.1233366 2327 1 1 1 1 1 1 1 3687 1 1 1 1 1 1 1 1 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9928 1 1 8470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2777 1 1 1 1 1 1 1 5802 163.0264 *163.0274* 163.0274@1.1225437 1 2327 2662 2740 3127 1 2987 3251 1 3266 1 1 3644 4233 1 1 2460 1 1 1 1 1 1 1 1 1 7095 7216 1 1 1 1 1 10044 6167 1 3441 3652 2398 2880 1 1 3200 3054 5315 4850 1 1 1 1 2788 1 2854 1 3834 3777 1 1 1 1 2481 1 1 6089 9783 9770 3272 1 1 1 1 1 4890 5158 1 1 2875 2979 3211 3620 3273 1 1 2457 1 1 1 1 5141 1 163.0274 *163.0621* 163.0621@0.8427498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4129 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0621 *163.0623* 163.0623@1.5900915 1 1 1 1 1 1 5496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0623 *163.8455* 163.8455@1.1524047 1 1 1 1 1 1 1 1 1 1 1 1 34094 1 1 27733 1 1 28760 1 1 1 1 1 1 1 23684 1 1 1 1 1 1 1 1 1 1 1 1 1 41884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40815 59737 1 1 12657 1 1 49718 1 1 1 1 1 1 31205 1 1 1 1 1 1 1 1 1 1 44668 1 1 1 1 163.8455 *163.9598* 163.9598@1.0135461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 3046 1 1 2972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.9598 *163.9614* 163.9614@0.9684698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2507 3138 1 1 3771 6168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.9614 *163.9902* 163.9902@0.9350034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5056 5573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.9902 *164.0144* 164.0144@1.9665408 1 1 1 1 1 1 4491 7547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0144 *164.0272* 164.0272@1.9763153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4677 164.0272 *164.0462* 164.0462@2.959761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0462 *164.0464* 164.0464@2.5448434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 4340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3682 4189 1 1 1 1 1 1 1 1 164.0464 *164.0623* 164.0623@2.0380268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 3894 1 1 1 1 164.0623 *164.0678* 2-Deoxyglucose 19129 20679 1 1 1 16566 18453 17757 3627 22406 20379 19034 1 1 4542 30102 1 1 21346 1 1 1 1 1 1 1 1 1 1 1 17938 1 1 1 1 1 31226 29976 21659 1 36277 32626 1 1 1 1 24780 1 3488 1 4393 26264 22969 1 1 1 35400 36638 19981 1 34436 26058 23077 21553 1 1 1 1 31246 34329 1 1 1 1 23274 23734 1 1 4789 28914 24438 24792 1 1 1 1 1 1 1 3309 164.0678 *164.0809* 164.0809@1.1335065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2892 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0809 *164.0848* 164.0848@1.1306759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 2284 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 1 1 1 1 1 1 1 1 1 1 164.0848 *165.0399* 165.0399@1.3228658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4775 5611 1 1 1 1 2268 2951 1 1 2941 3172 1 1 1 1 1 1 1 1 1 1 1 1 1 2842 1 1 1 1 3369 1 1 1 1 1 1 1 1 1 1 1 1 1 3509 2771 1 1 2339 1 1 1 1495 1 1 1 1 1 2600 1 1 1 5137 4949 44727 45734 1 1 165.0399 *165.0639* D-Homoserine 4777 4444 2728 1 3242 3124 3729 3774 1 1 3872 3401 1 1 3435 1 1 1 3609 3934 1 1 1 1 1 1 1 1 1 1 3151 1 4850 5027 4337 4608 1 1 3225 3103 3634 4140 1 1 2705 1 1 1 1 1 3169 1 1 1 3307 3873 1 3447 2889 3288 1 1 1 1 1 1 1 3242 1 1 4199 4116 1 1 1 1 1 1 4902 5329 4841 4271 1 3831 3403 3224 3233 1 5359 4594 165.0639 *165.0783* Phenylalanine 68705 70510 65512 70979 68599 71316 52382 51899 70912 69289 65759 68688 58153 56670 76691 73558 51870 53157 79727 77495 64513 63631 54739 59592 62869 61961 72816 71695 66081 65796 64203 68120 64198 64198 69674 68506 71480 70155 60756 61602 62283 62601 70384 73387 65909 65507 65962 64295 83194 79247 63133 63552 66573 68777 73961 73803 77556 78970 101128 101094 96866 96637 52894 55408 65680 66786 79241 76454 65441 67573 104367 102261 61375 62053 56453 60081 71407 71263 81323 85493 92214 90383 112361 113690 85793 87724 80451 80301 80111 78828 HMDB00159 C00079 165.0783 *165.0783* 165.0783@5.712346 1 1 6147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3266 1 1 1 1 3573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0783 *165.9991* 165.9991@1.0761902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7956 5616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.9991 *166.0021* 166.0021@1.2985486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0021 *166.0029* 166.0029@1.9922518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 1 1 1 1 1 3855 4113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2329 1 1 1 1 1 1 1 1 1 1 2586 1 1 1 1 1 1 1 1 1 166.0029 *166.005* 166.005@0.6534601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5826 166.005 *166.0061* 166.0061@1.1888748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4094 1 1 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5436 1 1 1 3332 1 1 1 1 1 1 1 1 1 1 3197 1 1 1 166.0061 *166.0065* 166.0065@2.036568 1 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3293 1 1 1 1 1 1 1 1 1 1 1 1 7770 1 1 1 1 3923 1 1 1 1 1 1 1 5850 1 1 1 4333 1 1 3040 1 1 1 1 1 1 1 1 1 2738 1 1 4753 1 4069 2106 1 1 1 1 3564 1 1 1 1 1 166.0065 *166.0067* 166.0067@1.3428032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0067 *166.007* 166.007@1.310846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6882 6004 1 1 1 1 1 1 1753 1884 1867 1 1 5990 1 1 1 1 1 1 1 4228 1 1 5841 1 1 1 1 5001 1 1 1 1 1 1 1 1 1 1 1 1 1 5852 1 1 166.007 *166.0116* C4 H6 O7 22551 21617 22881 18715 26363 28610 27236 29573 30623 31198 26117 25997 28442 30039 21536 20569 14725 16455 28112 27446 25778 29952 26761 29033 23906 23266 27250 27894 25672 24318 28941 29257 26244 24273 30420 32312 27859 27115 22775 24236 29867 5038 29635 30015 26797 25764 34136 34425 27471 28768 22938 23524 31646 31820 27519 27634 29115 26797 25976 25542 24211 26435 25045 25071 25077 29282 30333 33352 32260 31741 38857 39820 22929 29945 30761 32117 22710 22699 25961 26461 33133 30986 27257 27283 29214 5796 29177 29341 31669 33015 166.0116 *166.0121* C4 H6 O7 - 1.5158395 33049 32308 39217 34716 44406 43782 40280 39534 47204 49324 47516 47689 43446 44560 27324 25975 21591 21936 36460 36149 37531 42439 30679 32181 30340 31071 38533 38697 33804 33064 42166 42647 35086 31572 47319 45217 38157 37381 36015 34109 47836 48089 45059 47623 33517 36369 47644 43945 39402 38485 35655 35328 44462 41699 43994 42778 39029 41047 37123 39659 38024 39746 45748 45735 33946 36319 30587 33652 43127 42869 50470 45870 35274 39207 39466 37266 42638 40388 30888 31723 31379 31818 36929 37232 31715 31984 36939 35871 47466 43844 166.0121 *166.0123* 166.0123@1.4070387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29925 1 1 1 1 166.0123 *166.0144* 166.0144@1.0689931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3721 1 1 166.0144 *166.0197* 166.0197@1.0571648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6268 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3764 1 1 1 1 166.0197 *166.0256* 166.0256@1.0901119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 166.0256 *166.0261* 166.0261@1.0206039 1 1 1 1 1 1 9627 10434 1 1 1 1 3464 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3571 5041 5611 1 1 1 1 1 3291 1 1 1 1 4304 1 3794 1 1 1 5649 7845 1 1 1 1 7163 6878 3303 3486 1 1 4390 1 1 2697 1 1 1 2884 1 1 4273 4438 3699 1 4142 4707 7338 6808 4883 2311 1 1 166.0261 *166.0326* 166.0326@1.6085472 1 1 4162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0326 *166.0439* 166.0439@1.6095669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5513 1 1 1 1 19623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21320 22919 1 1 1 1 6620 8239 1 4334 1 1 1 1 1 1 1 1 7972 7383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0439 *166.046* 166.046@2.854242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.046 *166.0477* 166.0477@0.9165164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3047 1 1 1 166.0477 *166.0482* Apionic acid 76459 78531 1 1 94379 101018 98164 98745 53373 54372 81756 73981 39929 31139 66564 58107 14428 16927 70758 83185 13404 1 108370 108520 25726 25425 43890 45538 40174 42670 91608 95863 104922 102773 48984 48895 51455 49530 24482 26039 94809 100297 47976 52254 16690 1 80957 81560 24025 26014 41217 43417 57200 59851 1 1 54597 56531 35661 29924 1 1 1 1 37561 35655 92851 1 55479 53405 169418 168065 2501 8790 54785 55834 1 1 37018 34962 106827 103712 22271 18138 210721 204859 90319 91055 33016 38839 166.0482 *166.0493* 166.0493@0.8830983 3336 1 1 1 1 1 12826 14836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6880 9526 1 1 166.0493 *166.0563* 166.0563@1.0985742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3844 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 166.0563 *166.0563* 166.0563@0.7082404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0563 *166.0571* 166.0571@2.7692413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0571 *166.0598* 166.0598@1.1128678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0598 *166.0602* 166.0602@0.71643656 1 1 1 1 1 1 1 1 3078 3166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3022 2821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3962 1 1 1 1 1 5258 6316 1 1 1 1 1 1 1 1 1 1 166.0602 *166.0614* 166.0614@2.8934398 1 1 8886 10147 1 1 8504 9722 1 1 1 1 5888 1 5462 6082 8549 9463 1 1 1 1 14625 14268 1 1 1 1 1 1 3593 9220 1 1 8507 7663 1 1 1 1 1 1 1 1 1 1 1 1 2742 3934 8740 8778 1 1 1 1 1 1 1 1 11180 12533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6244 6459 1 1 1 1 14834 14281 1 1 1 1 8506 9669 166.0614 *166.0618* 166.0618@2.6106055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5389 5240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2690 2690 1 1 1 1 1 1 2479 2504 1 1 1883 1 1 1 1 1 1 1 3850 100664 4408 4371 1 1 1 1 1 1 1 1 166.0618 *166.0633* D-Phenyllactic acid 1 1 1883 1907 1 1 15044 14199 1 1 13092 12897 24037 22030 2667 2734 1 1 1 1 1 1 1 1 1 1 3480 3758 53439 55038 1 1 1 1 13229 11057 10216 10424 1 2415 40759 41348 1 1 21892 21602 12407 12388 16816 16908 1 1 45493 46733 1 1 14744 13982 9598 9678 55485 56255 1 1 18212 19049 15981 15686 7471 7831 6051 5442 1 1 1 6462 1 4371 1 6842 57405 52424 26516 27275 2852 1 10432 10629 3416 1 HMDB00563 166.0633 *166.0668* 166.0668@1.1455454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7497 1 4329 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0668 *166.0716* 166.0716@1.1828809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 3056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0716 *166.0794* 166.0794@1.9635408 1 1 1 1 1 1 4704 4837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0794 *166.0966* 166.0966@0.7766866 1 1 1 1 1 1 3575 3334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3767 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4991 4807 1 1 1 1 166.0966 *166.0981* 166.0981@6.1414347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 1 1 1 1 1 166.0981 *166.0986* C5 H15 Cl N4 9230 8160 3800 4257 2280 12781 23609 21749 16757 4686 5678 69909 6561 6834 7326 6939 1 1 9902 8934 7092 5911 9378 10086 10899 10419 9443 9655 17896 17105 14247 3122 1 1 13984 13917 9135 9386 21466 23104 9115 9036 4875 4344 12127 11881 5129 6449 8206 8901 7841 8305 4867 5334 9401 8995 7411 7525 11820 29791 4778 5148 8815 9179 1 1 6187 7038 4372 4159 10869 13838 7169 6763 13044 13309 8131 9113 4826 4621 16872 17031 8172 8303 16123 15987 22592 22191 12742 12036 166.0986 *166.986* 166.986@1.0719221 1 1 1 1 8128 7137 1 1 297415 299629 230706 233338 47176 48262 1 1 1 1 1 1 1 1 1 1 4057 3962 1 1 5874 5988 1 1 1 1 1 1 452840 447585 1 1 1 1 30090 29668 61487 61570 1 1 1 1 5728 6066 1 1 1 1 1 1 5137 5453 1 1 1 7721 228222 229690 105693 107988 1 1 1 1 878504 877616 1 1 24775 24599 1 1 6090 6365 10988 11104 1 1 4746 4718 1 1 166.986 *166.9898* 166.9898@1.068295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.9898 *166.9936* 166.9936@1.0686725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2722 1 1 1 1 1 1 1 1 1 1 1 3812 4811 1 1 1 1 1 1 1 1 1 1 1 1 3765 4004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.9936 *167.002* 167.002@5.279813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.002 *167.0148* 167.0148@1.076037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10185 1 1 1 1 1 1 1 1 1 1 1 167.0148 *167.0189* 167.0189@1.0834576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4691 4549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0189 *167.0239* 167.0239@1.5271977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28091 28909 1 1 1 1 1 1 1 4741 1 1 1 1 1 1 1 1 1 2303 1 1 1 1 1 1 1 1 20266 1 19149 18336 1 1 1 1 28490 33931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0239 *167.0247* C4 H9 N O4 S 7085 7014 6363 6589 1629 6865 11837 10981 5853 6560 8225 8555 1 1 4076 3613 5172 5346 8254 8203 3954 4037 3640 1988 1 1 6409 6465 4967 5024 4138 4120 6753 6017 5087 5345 4336 3935 6453 6318 5670 5534 1 1 7197 7569 4729 4684 4145 1 7025 7580 1 1 4132 4148 8393 8606 3086 3478 3080 1 3697 3768 5003 4873 6037 5618 3961 4229 6165 6610 1 1 1 3274 3709 3703 10951 11911 4735 4538 5717 5996 6543 7493 5288 5588 5885 5433 167.0247 *167.0248* 167.0248@1.0785974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0248 *167.0249* 167.0249@3.1947885 1 1 1 1 4954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0249 *167.0278* 167.0278@1.5868883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12162 11536 1 1 1 1 1 1 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7941 9673 1 10730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0278 *167.0341* 167.0341@1.5919477 1 1 1 1 1 1 1 1 1 1 1 8354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0341 *167.0378* 167.0378@1.5948579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0378 *167.0451* 167.0451@1.5771636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0451 *167.0494* 167.0494@1.612384 1 1 1 1 9622 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2963 1 1 1 167.0494 *167.0505* 167.0505@1.0504028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0505 *167.0541* 167.0541@1.6870695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5907 7136 1 1 167.0541 *167.0552* 167.0552@1.0539093 1 1 1 2530 1 1 1 1 1 1 1 1 1537 1 1 1 2413 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 3441 3607 1 1 1 1 1932 1 2049 1730 1 1 1 1 2736 2507 1 1 2270 1 2535 2375 1 1 1 1 1 1927 4338 3672 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 3103 2785 2880 1 1 1 2524 2696 167.0552 *167.0574* 167.0574@0.77910364 18562 18704 1 1 1 1 59956 56257 1 1 1 1 9543 9056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19730 18934 1 1 1 1 1 1 1 1 1 1 13667 13598 1 1 1 1 1 1 10436 11102 1 1 1 1 1 1 1 1 1 1 1 1 1 3464 1 1 1 1 36612 37159 1 1 167.0574 *167.095* 167.095@1.0766356 1 1 1 1 1 1 1 1 4554 5030 3108 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10150 9714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.095 *167.1361* 167.1361@1.0744228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 13680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.1361 *168.0274* 168.0274@3.6150577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0274 *168.0277* Uric acid 7527 6981 6645 7052 11571 11409 6183 5722 7785 11056 6469 5714 17024 16920 1 1 1 1 1 1 8344 8089 3321 6211 1 1 1 1 1 1 6037 6252 5502 6186 8944 9399 6237 6739 5388 5785 1 4076 4527 4675 6139 6466 5832 6096 3880 5555 5712 3901 7342 7321 1 1 5118 4855 5967 7802 1 1 5895 6146 2453 1 4907 5832 6388 6800 11247 10625 5640 5164 6537 6689 1 4244 5143 6238 5518 5248 7438 7154 1 3710 9385 8580 4935 4458 HMDB00289 C00366 168.0277 *168.0277* Uric acid - 3.5087256 202241 201273 149682 142986 218986 225757 207213 206022 214962 211992 223373 222678 149061 147149 67568 60072 32099 33865 256046 248715 162091 129603 129354 124967 93134 91126 141824 136533 160766 158871 147153 151145 179264 184911 145389 147412 155668 173673 132342 123097 154518 198637 134107 118422 119373 106511 161678 176356 109113 133649 155793 156102 120109 123277 120951 109949 172608 163101 180390 183146 78323 88006 126739 123027 117668 119110 230130 226705 126621 119619 292124 301746 119266 117805 111034 110935 81744 84703 93642 113623 114574 104979 99930 89850 106042 93873 135578 137292 141985 142494 HMDB00289 C00366 168.0277 *168.0288* 168.0288@2.8981209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 2125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0288 *168.0304* 168.0304@1.5335896 1 1 1 1 1 1 1 1 5115 1 1 5422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0304 *168.0306* 168.0306@0.9770951 1 1 1 1 1 1 1 1 2866 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5129 1 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 3928 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 168.0306 *168.0353* 168.0353@1.9802336 3511 1 1 1 1 1 1 1 1 4383 1 1 1 1 1 1 1 1 1 2844 1 1 1 1 1 4746 1 1 1 1 1 1 3438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4074 3709 3368 1 1 1 1 5230 1 1 1 1 1 1 1 1 1 4048 1 1 3287 4524 1 1 1 1 1 1 1 1 7130 1 1 1 1 1 1 1 1 1 168.0353 *168.0354* 168.0354@0.97394824 1 1 1 1 1 1 1 1 1 1 6286 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6099 1 1 1 1 1 1 1 1 1 4320 2779 2972 1 1 1 1 1 2150 1 1 1 1 1 1 1 1 3457 4168 3242 3091 1 1 3182 3781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0354 *168.0365* 168.0365@1.5376637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0365 *168.0365* 168.0365@2.0011199 1 1 1 1 2754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0365 *168.0379* 168.0379@0.95667076 4315 3683 1 1 2339 4216 3655 5041 1 1 1 3443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 3220 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 1 1 1 1 1 1 1 1 1 1 1 1 3382 3095 3658 3818 1 1 1 1 1 1 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 3428 3805 1 1 1 1 168.0379 *168.0388* C3 H8 N2 O6 1 3932 1 1 5693 5174 12247 10510 1 1 14095 7196 1 1 1 1 4061 3469 1 1 1 1 5142 5195 2859 1 1 1 1 1 1 1 28374 23354 12834 13161 4988 5521 10652 7690 3328 3685 1 1 5950 18752 7238 8863 11931 10793 1 1 1 1 1 1 3815 1 23517 5504 4662 5417 1 1 18704 16300 4354 1 4231 5726 1 1 8561 3574 1 1 10895 11215 17224 6285 1 3173 14094 14412 18565 23904 1 1 7636 18924 168.0388 *168.0402* 168.0402@1.6392338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5176 1 1 1 1 168.0402 *168.0447* 168.0447@0.9170896 1 1 1 1 3917 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0447 *168.0466* 168.0466@1.1604601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1 1 1 1 1 1 168.0466 *168.0501* 168.0501@6.8403797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5970 1 1 1 1 1 1 4490 1 1 1 1 1 1 1 1 1 1 1 1 8295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0501 *168.0524* 168.0524@3.3677623 1 1 1 4223 4110 5315 30862 33013 8809 8822 1 1 1 1 1 1 5266 5016 8110 9699 1 1 9213 9712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7318 7456 7992 8003 1 1 1 1 5297 6285 7202 6651 1 1 1 1 4481 4305 9458 9130 1 3619 5287 5236 1 1 5748 4925 1 1 1 1 1 1 7242 6961 1 1 1 1 1 1 1 1 1 1 14171 13642 1 1 9866 9528 168.0524 *168.0691* 168.0691@1.1510853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6981 1 1 1 1 168.0691 *168.0765* 168.0765@1.1374714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5711 1 1 1 1 1 168.0765 *168.0933* 168.0933@1.3353317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8524 8075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0933 *168.0938* 168.0938@1.239175 1 1 1 1 1 1 20560 19904 1 1 1 1 1 1 1 1 9282 11389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12867 25444 1 1 168.0938 *168.1075* 168.1075@1.1670182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2146 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 1 1 4094 1 1 1 1 1 1 13557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1075 *168.1128* 168.1128@1.2813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1128 *168.1136* 168.1136@1.5802037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1136 *168.1141* 168.1141@1.5587668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8618 16065 1 1 11294 10987 1 1 1 1 1 2203 1 1 6313 6759 1 1 1 1 1 1 1 1 1 1 6853 6575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1141 *168.1496* 168.1496@1.0399399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1496 *169.0346* 169.0346@3.4863884 1 1 1 1 1 4804 1 1 1 1 1 1 1 1 1 1 4710 4375 7866 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 1 3295 1 1 1 1 1 1 13899 1 1 1 1 1 1 1 3874 1 1 1 1 1 1 1 1 169.0346 *169.0366* 169.0366@3.4461172 1 1 1 1 1 1 13550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0366 *169.037* 169.037@3.4233794 1 1 1 1 14418 14605 11866 19496 33945 33291 4694 3133 1 1 1 1 7962 1 31280 26374 1 1 27334 20213 1 1 1 1 1 1 1 1 1 1 5817 6378 1 1 1 1 26316 29043 1 1 1 1 4424 4807 1 5890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16725 14084 5292 5862 1 1 1 1 16473 25662 5095 5754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.037 *169.037* 169.037@1.1710266 1 1 1 1 1 1 1 1 1 1 5360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12561 12851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 6090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.037 *169.0377* 169.0377@1.2853353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10228 10433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0377 *169.102* 169.102@1.9812375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5480 1 1 1 1 1 169.102 *169.8953* 169.8953@0.90905184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.8953 *169.997* 169.997@1.140485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.997 *169.9972* dihydroxyacetone phosphate (DHAP) 1733260 1746487 1750764 1763855 1654518 1694543 1673197 1668210 1482743 1482469 1731626 1731338 1618132 1632563 1555661 1439230 1417551 1510193 1662632 1683783 1662024 1656448 1565790 1596632 1516121 1533264 1445722 1445443 1438667 1441928 1753292 1811414 2050803 2062287 1805693 1808704 1899611 1931851 1609962 1527018 1818960 1842842 1807605 1811695 1539857 1543934 1438260 1449556 1581087 1582905 2029892 2025695 1728256 1807830 1929972 1917431 1697598 1713089 1550684 1566515 1639838 1649660 2016503 2031694 1873417 1893355 1967978 1951377 1565626 1697206 2035711 2031395 1579189 1589721 1899245 1800040 1477384 1496373 1421824 1516399 1575844 1577801 1744874 1767267 1907166 1911974 1512529 1503842 1529854 1456620 C00111 169.9972 *169.9972* 169.9972@1.0358505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.9972 *169.9981* 169.9981@1.090325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4789 1 1 1 1 4580 1 1 4064 1 4508 1 1 6378 2028 1 1 1 3903 1 1 1 1 1 2320 8620 1 1 9411 1 1 1 1 1 1 1 13605 1 1 1 1 3620 18140 1 1 1 1 1 1 11418 1 1 1 42245 1 15027 1 1 1 1 1 1 1 1 1 169.9981 *169.9985* 169.9985@1.1027102 1 1 1 1 1 15132 1 1 1 2031 1 1 1 1 1 1 1 1 2805 1 1 1 1 4668 1 1 1 1 1 1 1 1 1 1816 6351 6493 1 1 1 14387 1 10366 1 1 5069 1 7468 1 1 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 13861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6712 1 5032 1 169.9985 *170.0392* 170.0392@1.0685203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2744 1 1 1 1 1 1 170.0392 *170.0565* 170.0565@0.8417084 2837 2742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0565 *170.0725* 170.0725@1.101362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204788 209359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264781 259162 1 1 1 1 1 1 1 1 1 1 1 1 11682 12498 1 1 1 1 95292 93858 1 1 1 1 1 1 1 1 1 1 356405 358833 1 1 1 1 1 1 1 1 3253 1 5665 5875 1 1 1 1 1 1 1 1 1 1 1 1 170.0725 *170.0728* 170.0728@0.81481236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128971 128681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0728 *170.0806* 170.0806@1.9730811 1 1 1 1 1 1 3521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0806 *170.09* 170.09@0.9726591 2978 3206 1463 1269 1 1 2966 1 1 1 1656 1701 4415 13675 5409 30261 1 1 1 1 1 1 4417 4236 5039 23000 5212 8412 1 6770 1 1 1 1 1 1 1 3913 1 1 2339 2806 1 1 1 1 1 1 1 1 4272 4095 1 1 3593 3324 1 1 1 3251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.09 *170.0924* 170.0924@0.97206116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0924 *170.1202* 170.1202@1.1608187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1202 *170.1216* 170.1216@1.1079499 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1216 *170.1274* 170.1274@1.0864477 1940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2883 3001 1 1 1 1 170.1274 *170.13* 170.13@6.0068645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.13 *170.1824* 170.1824@1.1008196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1824 *170.9744* 170.9744@2.9243813 1 1 2857 3473 1 1 9840 8751 8612 8575 2482 2552 7458 7497 1 1 6959 6865 1 1 1 1 6619 5651 1 1 1 1 1 1 19879 17316 1 1 5692 1817 1 1 1 1 1 1 3187 1 1 1 1 2805 1 1 10675 10207 3097 3972 1 1 1 1 1 1 3840 3714 1 1 1 1 1 1 1 1 1 1 1 1 11179 12693 6506 6034 1 1 1 1 15817 15093 1 1 1 1 1 1 170.9744 *170.9747* 170.9747@2.91434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.9747 *171.0005* 171.0005@0.97131544 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0005 *171.0157* 171.0157@1.9841518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10881 8724 1 1 1 1 1 1 1 1 1 1 1 1 171.0157 *171.0296* 171.0296@5.8377123 1617 1947 3631 2117 3063 1777 1 1 3567 3857 3808 2048 1 3524 2065 2260 1 1 2772 2567 1 1 3417 1 2054 2163 1751 1 5026 2594 3864 1 1 1 1 3304 1 1 1 1 1546 4049 1 1 3524 1518 1 1 1 1 1 1 1 1 1 1 1 1 3338 3462 1 1 1 1 1 1 1 1 5150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0296 *171.0762* 171.0762@1.982707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 171.0762 *171.0804* 171.0804@1.9782956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0804 *171.0815* 171.0815@1.1008718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715368 720973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 895233 890321 1 1 1 1 1 1 1 1 1 1 1 1 30776 30551 1 1 1 1 291709 298135 1 1 1 1 1 1 1 1 1 1 1181965 1168584 1 1 1 1 1 1 1 1 6927 7036 12036 14259 1 1 1 1 1 1 1 1 1 1 1 1 171.0815 *171.0884* 171.0884@3.1667151 1 1 1 1 1 1 5075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5160 1 1 1 1 1 1 6215 5162 6252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5745 1 1 1 1 9841 9695 1 1 171.0884 *171.0982* 171.0982@5.6918645 1 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0982 *171.0984* C7 H13 N3 O2 47510 47074 43625 48745 49558 52184 52345 50270 50350 51364 50775 50537 48028 46836 47392 47242 46346 45865 58181 59457 53212 52953 48959 49793 53661 52388 52378 50652 50760 49775 54776 57781 55709 55596 57438 58077 51976 52662 50375 50355 55665 55747 49488 49472 50760 49892 49803 50248 53387 52896 60235 61325 56842 54575 51329 52771 55216 55420 53416 56427 49807 50256 57208 56907 54815 55745 61082 62903 55539 56627 70310 70860 53132 53198 57062 57756 56267 57142 57675 61009 60599 58838 61426 60066 63692 64530 63520 65801 51955 52333 171.0984 *171.1895* 171.1895@1.0999969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4798 4805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1895 *171.9539* 171.9539@5.6354465 6399 5771 5706 4123 4923 4686 4113 1 4474 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.9539 *171.9945* 171.9945@1.1570399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5791 5513 1 1 14451 14725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5518 1 171.9945 *171.9982* 171.9982@1.1582505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5424 171.9982 *172.004* 172.004@1.1727049 3921 4256 1 1 1 1 10400 9963 1 1 1 1 1 1 1 1 1 1 3528 3343 1 1 1 3293 1 1 1 1 1 1 1 1 3724 3271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5627 4281 1 1 1 1 1 3148 1 1 1 1 1 1 2855 2917 1 1 1 1 1 1 1 1 1 1 1 1 2547 2685 1 1 1 1 4817 4862 7718 2727 1 1 172.004 *172.006* 172.006@1.156558 1 1 1 1 1 1 1 1 1 1 3902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 7666 1 1 172.006 *172.0185* 172.0185@1.1147159 1 1 1 1 1 1 1 1 1 1 9876 12941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3523 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 3728 7074 1 1 1 1 1 1 1 1 1 1 1 1 4681 5109 1 1 1 1 1 1 1 1 1 1 172.0185 *172.0358* 172.0358@1.5688901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6186 5904 1 1 172.0358 *172.0472* 172.0472@1.8963908 1 1 5718 4319 1 1 8795 8694 1 1 1 1 1 1 1 1 1 1 1 1 4234 3596 1 1 1 1 1 1 1 1 3435 3977 1 1 1 1 1 1 1 1 1 1 1 1 4695 4665 1 1 1 3064 3423 1 1 1 1 1 6290 7230 1 1 4220 3592 6102 7961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5943 7368 3579 5031 1 1 7524 7536 7148 5037 4620 3481 172.0472 *172.0512* 172.0512@1.9603268 1 1 1 1 1 1 5511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2046 1 1 1 1 1 1 1 1 1 1 1 172.0512 *172.0709* 172.0709@1.4240133 1 1 1 1 1 1 8824 4938 1 1 1 6301 1 1 1 1 1 1 3738 3760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5353 4417 1 1 1 1 3189 7145 5019 5803 1 1 1 1 1 1 1 1 1 1 1 1 6303 6498 2931 5513 1 1 11703 10142 11547 6348 1 1 172.0709 *172.0716* 172.0716@1.379553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 5102 4123 1 1 1 1 1 1 4217 1 1 172.0716 *172.0776* 172.0776@1.1889263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4791 4121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0776 *172.0868* 172.0868@1.1586186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0868 *172.0882* 172.0882@0.82006615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4733 4755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10078 9680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20920 19900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0882 *172.1012* 172.1012@1.9781663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 1 4378 3093 1 1 1 1 1 1 1 1 2867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3289 1 2597 2582 5045 6501 1 1 1 1 172.1012 *172.1031* 172.1031@1.1272817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3107 3296 1 1 1 1 1 1 1 1 1 1 1 1 172.1031 *172.1051* 172.1051@1.6407791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7109 1 1 1 172.1051 *172.1085* 9-hydroxy-5Z-nonenoic acid 1 1 1 1 2978 1 1 1 1 1 1 2021 2497 1869 1 1 1 1 3178 3198 2972 1 1 2515 1 1 1 1 1 1 3304 3108 1 1 2868 3191 1 3493 5019 4614 1 1 3500 3182 1 3066 1 1 3303 3963 4005 2763 1 1 2929 3429 1 1 3565 1 1 2216 3406 3590 1 1 1 2287 2927 3970 3388 2497 2577 1 4027 1 1 1 3908 4542 3594 1 3822 3777 2637 5055 3787 2709 3143 1 172.1085 *172.1086* 172.1086@1.976333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2808 3360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 1 172.1086 *172.1453* 172.1453@5.9691987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1453 *172.1928* 172.1928@1.1015822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1928 *172.9522* 172.9522@3.2593396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.9522 *172.953* 172.953@1.9953625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.953 *172.9536* C5 H Cl2 N3 4749 4910 5676 4858 4812 4678 5495 4481 5176 4544 6100 5721 4942 4508 3865 4441 4654 4701 4608 4512 6155 4773 3945 4041 4157 4831 4799 4613 4120 4107 3904 4602 4915 4729 3692 1 4965 4185 5366 5450 5108 5118 4541 5423 3857 5845 5004 5054 5723 5089 5049 4613 5469 3422 4825 5644 5139 5549 4876 5019 4963 5033 5164 4656 5548 5630 4613 5130 5506 5616 4507 3623 5291 5272 5093 5349 4516 4901 5637 4785 5912 5136 5015 4720 4249 5250 3914 4515 4892 4570 172.9536 *172.9538* 172.9538@1.1132067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3063 4033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.9538 *172.954* 172.954@3.2850583 7665 1 6159 1 1 6276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3956 3820 1 1 5233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5156 1 1 1 1 5520 1 5316 1 1 3996 6734 6811 1 1 1 1 1 3329 1 1 1 1 1 1 1 5995 5612 5922 5207 1 1 172.954 *173.0473* 173.0473@1.1317722 1 1 1 1 1 1 7687 8779 1 1 4039 3269 1 1 13770 13206 8043 7062 11180 11173 1 1 3566 4087 12197 12140 4442 4518 4314 3959 1 1 1 1 1 1 1 1 1 1 5997 4304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.0473 *173.057* 173.057@1.9660474 1 1 1 1 1 1 9477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6405 1 1 10767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.057 *173.0675* 173.0675@2.0475104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3262 3882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5472 6754 1 1 1 1 3622 3890 1 1 1 1 173.0675 *173.0819* C11 H11 N O 8525 8779 6024 6806 5604 5645 6703 6951 7644 7793 6254 5696 4859 4973 6291 5824 3775 3891 6143 5633 5089 4669 4399 3842 5881 6039 5026 4858 4697 4877 3369 3632 3931 3850 3814 3866 4550 4013 2712 2937 3534 3579 4256 4471 3386 2958 3419 3274 3841 3348 2915 3252 3457 2908 3455 3165 3926 3634 3364 3548 3973 4125 1 1 3379 3043 3146 3115 3233 2945 3342 2740 1 1 3057 1 3262 1 1 1 1 1 2997 3012 1 1 1 1 1 1 173.0819 *173.082* C11 H11 N O - 5.819396 7525 7541 5396 4844 5436 5536 4796 4371 6385 6422 5507 4867 3450 3869 5750 5254 3717 3247 5434 5781 3913 4043 4301 3869 6477 5998 4189 4172 5394 4962 3498 3516 3310 3219 3291 3345 4307 4128 2592 2133 3288 3098 4874 4728 2283 2788 3507 3327 3710 3329 3651 3073 3044 3216 3085 3316 3362 3348 2892 2462 3889 3811 1 1 2815 2578 3132 3164 2549 3039 2872 2854 1 1 1 1 2621 2678 1 2298 2346 1 2961 2744 2003 1 1 1 1 1 173.082 *173.105* 173.105@1.5959191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3764 4450 1 1 1 1 1 1 1 1 1 1 173.105 *173.9626* 173.9626@1.9761468 1 1 1 2372 1 2876 1 1 1 1 1 1 1 1 2025 1977 1 1 1 3945 1 1 1 1 1 1 1 1 1 1 2476 1 1 1 1 1 1 1 2590 2459 1 1 1 1 1 1 1 2188 1 1 1 1 1 1 1 4264 1 1 1 1 1 1 1 1 3697 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4187 1 1 5194 1 1 1 1 1 173.9626 *173.9627* 173.9627@0.6559838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10081 1 1 1 173.9627 *173.9639* C6 H6 S3 2665 2433 4024 1 4401 1 3998 3702 2652 2595 3205 4196 1786 1 1 1 1 1967 2082 1 2631 4697 1 1 1 1 4422 1 1 1 1 2308 2232 1 1 1 1 1 1 1 1 1701 2370 2129 2943 2842 5321 1 2310 1 2951 2672 1 1 4002 1 4332 4096 2949 4712 2716 2726 2428 2536 1 3009 1 2233 5375 4436 1 1 1 1 1 1 3015 4808 3212 3745 2020 1 5385 2819 1 3632 1 1 2622 4872 173.9639 *173.9642* 173.9642@5.751615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3821 1 1 1 1 4023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.9642 *173.9643* C6 H6 S3 - 6.1969066 1 1 1 1 1 1 1 3734 1 1 1 1 4048 6550 31617 1 1 1 6282 4970 1 5259 1 1 1 1 17926 1 6170 1 4591 1 1 3890 1 24977 1 3745 1 1 5412 8772 1 7867 1 1 6812 1 36162 1667 12676 1 5816 3810 1 1 6493 1 6330 9216 1 9104 1 1 1 7823 5349 7963 1 3329 22791 1 1 1 1 1 5582 7823 1 1 1 9112 1 11037 1 6834 9230 7387 6269 1 173.9643 *173.9645* C5 H3 Cl N2 O S 1 5688 1 9709 1 1 7007 5061 3752 6189 1 11190 5402 7603 3816 6091 1 1 11254 12388 1 1 4316 7702 1 1 6329 1 7780 8096 7347 1 7136 6920 8659 3706 9843 10932 1 8490 10358 4622 1 1 1 5018 5302 7407 4427 9351 9361 10227 6697 6590 1 35058 10042 8729 5005 4440 1 1 5076 6885 7269 8630 8284 8477 1 8725 8021 1 1 1 1 1 8757 1 1 1 1 18514 1 6597 9905 1 4485 5557 15826 1 173.9645 *173.9645* 173.9645@7.4602523 1 1 1 1 1 1 1 3749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5032 1 1 1 1 1 1 1 3890 1 1 4547 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1903 1 1 1 1 1 1 1 1 1 1 1 1 3022 1 1 1 1 4479 8276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3059 1 1 1 1 1 4160 173.9645 *173.9645* 173.9645@6.4170303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4243 3262 1 1 1 1 1 1 1 1 1 1 18308 1 1 16258 1 1 1 8471 1 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7557 3621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.9645 *173.9645* 173.9645@6.594834 1 1 1 1 1 1 1 1 1 1 1 1 13403 13241 1 1 1 1 8615 5307 1 1 1 1 1 1 1 1 8395 1 2726 1 1 1 1 1 1 6627 1 1 6061 1 1 1 1 1 1 1 1 4703 1 1 4209 11067 1 1 9509 1 4931 1 1 1 1 1 1 1 1 1 1 8231 1 1 1 1 1 1 1 1 1 1 1 1 1 5682 1 1 1 1 1 1 173.9645 *173.9649* 173.9649@6.944584 1 1 1 1 1 1 1 4114 1 1 1 1 1 1 1 1 1 1 1 1 1 2047 1 1 1 3074 1 1 1 1 3344 1 1 3847 1 16989 1 10627 1 1 1 1 1 1 1 1 1 1 1 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6777 1 1 1 1 1 1 1 1 1 1 1 4703 4160 1 1 1 1 4264 1 173.9649 *173.9923* 173.9923@1.3063532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5680 1 1 1 1 1 1 1 1 1 173.9923 *173.997* 173.997@1.1761845 1 1 1 1 1 1 1 2972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5899 1 1 10728 12189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3258 1 1 1 1 1 1 1 1 173.997 *173.998* 173.998@1.0439543 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5316 1 1 6837 2542 1 1 18280 17134 1 1 1 1 1 1 1 1 1 1 1 1 6868 7662 1 1 1 1 1 1 1 1 7955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4395 2317 1 1 1 1 1 1 1 1 173.998 *173.9982* 4-Hydroxybenzenesulfonic acid 87019 92321 379055 384243 261204 260832 954530 944750 39148 39734 68146 68648 134790 152212 82878 83042 122383 122084 181250 181210 181178 179659 95966 97386 41031 46563 640089 637190 867351 867380 418587 426869 937633 930143 322749 328895 2782736 2814626 64275 63325 614771 614101 475269 477417 228856 221973 1062660 1072468 128086 130020 1009939 1014821 892481 891103 684570 669268 117321 115565 262150 263820 1708447 1645934 557325 558601 188212 188897 644094 634664 115967 117701 96865 97847 126444 128777 290141 271945 131434 128689 565992 591495 1038727 1050895 237263 236143 259728 260007 668876 670746 483074 497644 173.9982 *174.0127* 174.0127@2.0817277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0127 *174.0156* 174.0156@1.7376646 1 1 1 1 1 1 1 1 1 2733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5042 1 1 1 1 1 1 1 1 12815 1 1 1 1 1 1 1 1 1 1 10003 1 5130 1 11636 1 1 1 1 1 1 12124 1 1 1 1 1 1 1 1 1 1 1 1 1 6931 1 1 1 1 1 5607 1 1 1 1 1 1 174.0156 *174.0156* 174.0156@2.511472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0156 *174.0157* 174.0157@2.8909817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0157 *174.0158* Dehydroascorbic acid 9124 7996 8385 9814 14828 16131 16024 17257 13408 12183 14481 15878 15259 15535 14666 15551 11585 11582 33019 31689 15287 15203 14985 17129 13600 13014 10806 13414 13037 13980 23850 24645 11816 18386 16796 17639 24439 20256 33405 29855 17535 4930 16248 15784 17954 19683 14934 15096 22273 22174 26268 27982 5776 11446 10880 15286 12626 23786 12951 17073 16514 15535 21942 11285 21662 21963 19078 20053 15825 13918 27723 26914 14679 14005 18999 14014 19606 11090 17149 19846 26373 28364 9363 8646 23276 23781 26173 31172 22368 20561 HMDB01264 C00425 174.0158 *174.016* 174.016@2.0479507 1 1 5279 1 1 2295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.016 *174.0162* Dehydroascorbic acid - 1.9808468 1 1 6722 11617 8800 6212 1 1 7060 4605 1 1 1 1 1 1 1 1 1 1 4673 3702 1 1 1 1 1 1 1 1 1 1 1 1 1 6008 9761 1 19394 23855 1 1 1 1 1 1539 8770 9211 1 6127 3652 4480 8227 8314 1 1 1 1 5269 1 1 6228 11782 16027 7421 7128 4246 1 7200 8827 22204 16564 1 1 22742 22971 1 1 1 1 1 1 2324 1 1 5962 4768 1 4216 1 HMDB01264 C00425 174.0162 *174.0235* 174.0235@1.9627364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 2022 7298 1 1 1 174.0235 *174.025* 174.025@1.9724452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 4909 1 1 174.025 *174.0331* 174.0331@1.9610023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0331 *174.0371* 174.0371@1.9682635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0371 *174.0569* 174.0569@4.743125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4595 4782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0569 *174.074* 174.074@1.1019762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.074 *174.0779* 174.0779@1.9855921 1 1 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3429 1 1 1 1 1 1 1 174.0779 *174.0856* 174.0856@1.9856737 1 1 3288 2959 3670 3601 13177 12504 3232 3950 3721 1 1 1 1 1 1 1 2751 3349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 1472 3332 3451 2304 1 2748 3525 1 1 1 1 5146 4466 1 1 3157 2864 1 1 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 3633 1 1 5824 6447 1 1 4363 4356 174.0856 *174.0882* 174.0882@1.3106534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5021 1 1 1 1 1 1 1 1 1 1 1 5262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3192 1 1 1 1 1 1 1 1 2230 3154 1 1 1 6913 1 1 1 1 1 1 1 1 2635 174.0882 *174.0888* 3-Methylpimelic acid 9156 9805 6909 7557 7386 8176 14424 14570 5688 5669 12022 11613 6677 7904 2879 7721 6980 6741 10603 10694 7163 7631 19113 16516 7126 7733 4322 9752 13963 12749 10008 9515 10281 10011 5642 5892 11473 12635 15984 16635 11381 11032 6225 3953 7782 8204 9724 9412 8392 8636 12894 13309 22799 22373 8230 7755 11568 10965 10764 12740 13370 13874 14434 14527 11799 10985 7384 8978 6669 5920 10617 10026 6625 7020 7152 5370 4524 7711 18937 19219 10402 16277 8139 7967 13939 13439 20079 20740 7523 4347 174.0888 *174.1081* 174.1081@0.76251084 1 1 4348 4077 1 2942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9958 9914 1 1 6216 6447 1 1 4491 4644 1 1 1 1 11577 10726 7230 7849 1 1 1 1 1 1 1 1 1 1 12808 13049 1 1 2513 1 1 1 8476 10531 1 1 10881 11593 1 1 1 1 1 1 1938 3674 1 1 9979 8606 1 1 1 1 2434 2891 13484 12210 7035 8150 174.1081 *174.1185* 174.1185@1.9758033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 1 1 174.1185 *174.1243* 4-hydroxy pelargonic acid 2678 2325 2414 2537 2310 2574 3451 3696 1 2303 3501 3458 3398 3725 2742 2867 2403 2357 6195 6106 4395 4979 5489 5915 4806 5035 4653 4418 6198 6777 5453 5228 6346 6276 3826 3583 4797 5111 7335 7398 3774 3857 2722 3109 4535 4447 6875 6582 8494 7299 7751 7763 5300 4854 4292 4470 8361 6823 6894 6813 6872 6814 7061 7160 6626 5596 6375 7025 4891 4910 6327 5986 8175 9529 8155 8295 6906 7334 11206 12912 7818 7085 8225 8315 11985 1 7318 7476 6413 6558 174.1243 *174.1536* 174.1536@0.76291907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3039 1 1 1 1 1 1 1 1 1 1 1 1 3205 3251 1 1 1 1 1 1 1 1 1 1 1 1 3420 3286 1 1 1 1 1 1 1 1 1 1 3074 3503 1 1 1 1 1 1 1 1 1 1 1 2556 1 1 1 1 1 1 3698 3428 1 1 174.1536 *174.9919* 174.9919@1.4659085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 1 3680 4056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.9919 *174.9935* C5 H5 N O4 S 19854 20159 4415 1 119181 120020 76102 79068 291837 227221 123097 121837 59038 69770 3363 1 49193 50595 158364 162818 4769 4821 157491 163465 40808 40907 1 1 27749 42996 1 1 1 1 89814 79102 1 1 8166 7209 144192 143446 1 1 11392 16614 1 72256 70345 70840 1 1 1 1 1 10605 1 3112 29020 29699 1 54467 1 1 153547 151332 63259 70035 8445 8828 39957 39436 198676 199912 67044 64268 67685 66500 1 1 41176 39934 4450 4316 133927 117409 3340 1 77864 77764 174.9935 *174.9937* 174.9937@0.8160257 1 1 1 1 1 1 1 1 1 65731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.9937 *175.0077* 175.0077@5.2662816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3513 1 1 1 1 4772 1 1 1 1 1 1 1 1 1 1 6871 1 1 3272 3369 1 1 1 1 175.0077 *175.0231* 175.0231@3.1042886 1 1 1 1 1 1 8653 6222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10399 9531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0231 *175.0332* 175.0332@6.0219727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3668 1 1 1 1 1 1 1 175.0332 *175.0583* 175.0583@1.1346195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6369 6402 1 1 1 1 175.0583 *175.062* 3-Indoleacetic Acid 2744 1 1997 3739 3973 4587 6174 6059 2387 2896 1 1 3554 3614 5524 5190 6601 7786 4678 5264 2188 2226 3047 5041 1 1 5750 5437 4973 4638 2985 2786 3388 3120 9837 9408 1 2730 4421 2852 6545 7491 4735 4081 2964 3757 3585 3111 6277 5164 4330 4106 3475 3843 2746 3333 3471 2049 6059 5167 3318 3104 1 1 1 1 6308 5363 1 1 3098 2877 1 2772 4528 5106 5890 6305 2989 2809 2754 2675 1 1 5045 5561 5359 5002 7133 7739 HMDB00197 C00954 175.062 *175.0647* 175.0647@1.2882719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4602 4322 1 1 1 1 175.0647 *175.0833* 175.0833@2.9042606 1 1 1 1 3693 4127 8815 9725 4431 4108 1 1 1 1 1 1 4243 4190 3395 1 1 1 3146 3151 1 1 1 1 1 1 1 1 3877 3692 4367 3927 3215 3264 1 1 1 1 1 1 1 3482 1 1 1 1 1 1 1 1 1 1 4412 4604 1 1 1 1 1 1 2813 1 1 1 1 1 1 1 1 1 1 1 1 1 8432 8142 2921 1 1 3936 5778 5193 1 1 4588 4315 175.0833 *175.0982* 175.0982@1.2124407 2153 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0982 *175.105* 175.105@0.8363128 1 1 1 1 1 1 1 1 3043 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.105 *175.1117* 175.1117@0.7636653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 2738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.1117 *175.9623* 175.9623@8.110027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 1 1 1 175.9623 *175.9943* 175.9943@0.8254361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2412 3150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.9943 *175.9958* 175.9958@0.82489353 1 1 6843 1 1 1 1 1 1 1 1 1 5597 1 1 1 1 1 3384 1 1 1 1 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 1 1 1 1 1 1 1 1 1 1 1 9738 1 1 1 1 1 1 1 1 4942 12245 1 1 11356 1 175.9958 *176.0064* 176.0064@0.76749206 1 1 1 1 7100 11329 1 1 1 1 1 1 1 1 1 1 1 1 4803 3446 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19246 1 1 1 1 1 1 1 1 1 1 1 1 7227 4166 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0064 *176.0163* 176.0163@0.75172675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16473 16248 1 1 1 1 176.0163 *176.0251* 176.0251@0.730912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8448 21471 1 1 1 1 1 1 1 1 1 1809 1 1 1 1 1 1 3341 1 1 1 1 1 4127 1 1 1 1 2651 1 1 1 1 1 1 1 1 4040 1 1 1 1 1 1 1 1 1 1 3324 1 1 1 1 1 1 1 1 1 1 1884 2043 1 2831 1 1 1 1 1 1 1 1 176.0251 *176.0301* C13 H4 O 103818 102625 3913 4232 11231 7612 4921 4833 10442 9941 40138 38977 1958 1947 2306 2029 10853 9399 1 1 37515 10329 4060 2933 5310 4945 3674 4438 1 1 8924 7415 2979 3454 2813 3194 1 3242 9586 9856 1 1492 1 3315 2405 2415 2407 1 3576 2926 4245 3993 2389 1 4336 4542 35436 38398 7931 3508 3301 2623 27695 22421 2088 2058 3017 1 3646 4279 117278 9247 2089 1916 12073 9697 5068 4463 1 1 2244 1 3841 4261 1 1 3965 3736 6678 5838 176.0301 *176.0312* 176.0312@2.974172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0312 *176.0313* 176.0313@4.2881536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16783 17119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0313 *176.0318* 176.0318@4.0327435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12426 13427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0318 *176.0568* 176.0568@0.8333378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7169 7895 1 1 1 1 1 1 1 1 1 1 176.0568 *176.0811* 176.0811@1.1032903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 2659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0811 *176.1038* 176.1038@1.4588957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 4910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5165 5633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1038 *176.1185* 176.1185@1.1352167 1 1 1 1 1 1 1 1 1 1 1 1 2915 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1185 *176.9927* 176.9927@0.8350376 1 1 1 1 1 1 4465 3962 1 1 1 1 3160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 1 7042 7087 1 1 1 1 3750 3517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3342 1 1 1 1 1 1 1 1 1 5720 1 1 1 1 176.9927 *177.014* 177.014@6.3869004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3762 2907 1 1 1 1 1 1 1 1 1 1 3796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.014 *177.0406* 177.0406@0.95294577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 2742 1 1 1 1 177.0406 *177.0416* 177.0416@2.0613418 5323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10045 1 7184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8177 4519 177.0416 *177.0447* 177.0447@3.5965953 1 1 1 1 1 1 1 1 1 1 3519 3270 1 1 3377 1 1 1 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4066 1 1 1 2898 1 1 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 1 1 1 1 1 1 5937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0447 *177.0449* N-formylmethionine 8214 8559 8049 7721 1 7557 19141 20430 7015 7096 4865 4545 7358 7219 4653 7405 7556 6551 12164 11366 5731 7213 3388 7337 3199 2736 7195 7324 6343 6627 7423 8250 13288 13192 10530 10599 9458 8736 7486 7440 9669 6002 1 5768 10154 6486 7658 5624 3461 7877 15780 15915 8492 8429 9532 9387 15364 15901 7580 8193 7622 7683 10606 7598 10655 2625 9974 9919 7411 6954 6293 6205 6998 6416 1 1 7389 7294 14138 15290 14624 16021 10354 11443 13592 14304 11258 11427 13019 12226 C03145 177.0449 *177.0783* 177.0783@1.3256292 1 1 1 1 1 1 5589 5598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4456 4897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0783 *177.911* 177.911@2.0246525 1 1 2502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.911 *177.959* C5 H6 O S3 4186 4164 3443 3391 2530 1 3731 3966 3961 3296 3819 4175 1 1 3629 3501 2046 1 1 1 4402 3808 4853 4632 3614 3523 3359 3502 4748 4676 1 3163 4659 4596 1 1 4821 3999 5079 5496 5123 5396 2880 1 3120 3219 1 1 3023 3410 3722 3486 1 1 3846 3624 4580 3926 4332 4432 2806 1 1 1 2458 1 4655 4472 3505 3304 1 2822 2642 2564 3502 2690 3627 3694 3450 3693 3882 3855 2899 3414 1 3579 6485 6524 1 2315 177.959 *178.0609* 178.0609@1.9787043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1 178.0609 *178.0973* 178.0973@1.154586 8529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24994 22147 1 1 15736 14775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7553 6593 4079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.0973 *178.1013* 178.1013@1.1558312 1 8346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1013 *178.1354* 178.1354@1.1682733 1 1 1 1 1 1 1 1 1 1 1 1 91278 85600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1354 *178.8619* 178.8619@1.0490732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.8619 *178.8742* 178.8742@1.0210773 1 1 1 1 1 1 1768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.8742 *178.8787* 178.8787@1.0152855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3057 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.8787 *178.9114* 178.9114@1.2831558 1 1 1 1 6571 3233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4226 3254 1 1 1 1 1 1 1 1 1 1 1 1 2761 1 1 1 1 1 1 1 1 1 4573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.9114 *178.9115* 178.9115@0.6577031 1 1 1 1 3194 1 1 1 1 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4051 1 4622 1 1 1 1 1 1 1 1 1 3610 1 1 1 1 1 5858 1 1 1 5921 2709 1 1 1 1 1 4802 1 1866 3197 1 1 4500 1 1 1 1 1 1 1 1 1 5015 5450 1 1 5767 1 1 1 1 1 1 1 178.9115 *178.9176* 178.9176@2.9077928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4203 1 1 1 1 1 1 1 3424 1 1 1 1 7388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.9176 *178.9184* 178.9184@2.0129423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.9184 *179.0121* 179.0121@1.0881066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0121 *179.0417* 179.0417@2.8560855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0417 *179.0422* C5 H9 N O6 1 1 1 1 1 1 7642 6668 4633 5109 1 1 3996 3748 5229 4533 9133 8393 9928 10498 1 1 5240 6093 4582 4767 5174 4079 1 1 7533 7360 1 1 7172 7515 1 1 1 1 1 1 6087 5410 6854 5589 1 4694 1 1 1 1 3570 1 1 1 2334 6705 1 1 1 1 6047 1 1 1 1 1 4180 1 8377 9519 1 1 4113 4817 5063 5020 5216 12899 4003 3627 6283 6368 1 1 8967 8384 5412 7336 179.0422 *179.058* 5,8-Dihydroxy-3,4-dihydrocarbostyril 416381 423342 726121 724287 861776 866837 1840590 1861744 320088 323832 1338343 1348767 1304598 1333854 400129 390403 482466 484090 829655 823663 273655 276614 242450 246035 688454 689690 288820 283468 1512368 1493937 182047 196442 876201 930855 726616 715589 492388 495027 197172 196931 1472806 1459123 284959 290838 538461 537949 651034 650909 1947999 1933387 281968 275874 142509 141676 459232 449511 144019 145162 177587 181719 931872 941939 334345 344682 927941 930298 2020246 2011293 571070 571767 1277215 1275246 443065 448134 426010 428434 576213 574885 363592 399164 2866690 2885403 118102 118207 993312 986144 233752 239491 582564 606587 179.058 *179.0846* 179.0846@1.9757102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5014 4612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0846 *179.0917* 179.0917@1.9739649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4569 2726 1 1 1 1 179.0917 *179.1697* 179.1697@3.0152178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 179.1697 *179.1701* C12 H21 N 1 1 9604 10760 15883 15117 1 1 1 1 28477 30187 25593 29458 1 5121 5647 5688 12926 11610 1 1 1 1 9327 5445 1 1 1 1 1 1 16417 14774 11657 9625 1890 6091 1 1 1 1 1 1 7052 6340 8630 9233 1 1 1 1 1 1 5389 3476 1 1 1 1 16870 16842 1 1 13041 15520 1 1 3655 5232 25382 25108 1 2257 1 1884 4303 6833 1 3420 1 1 1 1 14912 17831 1 1 7962 8582 179.1701 *179.2148* 179.2148@3.0324707 1 1 1 1 3386 1 1 1 1 1 7545 8722 7837 8555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4244 5294 1 1 1 4870 1 1 1 1 6833 7711 1 1 1 1 1 1 1 1 1 1 1 1 5341 5330 1 1 1 1 179.2148 *179.8508* 179.8508@1.025298 65124 67998 84525 38025 66966 65488 88507 63943 60633 60526 67108 66183 82714 85906 72557 44825 73616 74651 61096 62404 74763 69507 64607 1 76634 77507 59876 57456 66027 66389 36012 54387 55991 33130 40122 34754 44674 48829 51870 52813 47480 49702 60213 56788 60846 55486 65003 62689 53353 51204 50475 52157 51280 51824 41771 41109 44679 44091 49346 47569 44872 39313 1 1 45817 45012 44830 42003 43747 40465 40944 38964 44000 47109 49670 50193 44503 43514 34639 37173 39160 40088 40353 38331 38773 39617 42215 41707 47319 47636 179.8508 *179.8867* 179.8867@0.77784485 31567 42967 17425 17681 15574 15963 20069 5694 21574 21224 17843 17547 1 12685 19177 19697 17383 18306 18346 18071 17066 17496 19239 19069 19100 18399 1 15954 16624 16301 21074 15580 9741 11714 19312 1 17890 10980 17254 16817 34747 17456 26304 12160 15972 16060 16784 17469 20280 20436 22121 20746 19055 7303 17619 15926 13731 13241 33747 34282 43114 34836 9615 10377 18362 1 19662 20975 12138 1 21732 21183 15015 15080 19945 36676 20248 21152 17542 16794 1 34793 19253 38533 26956 34468 22686 23107 23176 25066 179.8867 *179.8868* 179.8868@0.7530365 1 1 1 1 1 1 1 1 1 1 1 1 1 7191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7225 1 1 1 1 1 11194 1 1 1 1 1 1 1 1 1 30789 1 1 5877 7434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12491 1 8373 1 1 179.8868 *179.9535* 179.9535@0.73657894 3120 3031 2616 1 1 1 4420 4321 1 1 1 2747 1 1 1 1 1 1 1 1 1 3189 3203 3639 1 1 1 1 3427 1 1 1 3655 1 1 1 3610 3440 4084 4210 4223 4422 1 1 1 2173 1 1 4151 4475 1 1 1 1 2746 3140 1 1 3115 3118 1 1 1 1 1 1 3380 3671 1 1 2195 1 1 1 1 1 1 3143 2649 1 1 1 1 1 3553 4059 4627 4368 1 1 179.9535 *179.9736* 179.9736@1.3366603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4381 3638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7648 5226 1 1 179.9736 *179.9998* 179.9998@1.2864975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7145 6934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4059 1 1 1 1 1 1 1 8007 9819 1 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.9998 *180.0039* 180.0039@1.2897654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0039 *180.021* 180.021@1.198796 1 1 1 1 1 1 1 1 1 1 1 1 1 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.021 *180.0418* 180.0418@0.7910006 1 1 1 1 1 1 1 1 1 1 5516 4542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4911 8748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0418 *180.0489* 180.0489@1.1559025 2223 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0489 *180.0565* 180.0565@2.0162642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0565 *180.0605* 180.0605@3.0790653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0605 *180.0616* 180.0616@2.0942795 1 1 1 1 1 1 5929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4354 1 3759 1 1 1 1 1 1 1 1 1 1 7645 1 1 1 1 1 9297 1 1 1 1 1 4488 1 1 6578 1 1 180.0616 *180.0618* 180.0618@1.4724984 1 7044 1 1 1 1 6742 1 1 1 1 1 1 1 1 1 1 1 1 1 4199 3934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2591 1 1 1 1 1 1 1 1 1 1 1 6445 1 3232 1 1 1 1 5533 1 1 1 1 1 1 1 3590 5107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10464 9227 180.0618 *180.0628* D-Glucose 1 65724 1 1 1 1 28945 1 22056 19611 1 1 1 31836 1 1 13879 1 5889 7256 18627 1 1 1 1 21906 1 1 56249 1 104837 1 29421 22016 32311 1 1 1 1 1 22405 20257 112724 1 20604 53584 1 1 25267 22722 36112 32718 40003 10052 1 1 37963 1 78762 1 71325 42066 9406 23891 27870 1 90858 35109 1 1 19762 23339 30356 54037 1 1 87223 41939 1 1 23581 26627 1 1 1 1 25717 31810 220577 1 HMDB00122 C00031 180.0628 *180.0628* 180.0628@2.3999958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 1 1 1 53013 56525 1 1 5972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0628 *180.063* 180.063@2.0103803 1 5964 1 1 5150 1 3886 16085 1 1 1 1 3620 1 1 1 1 1 1 1 1 1 1 1 1 1 3613 1 1 4097 10009 6767 11288 6312 1 1 1 6995 1 1 1 1 1 1 1 1 8760 7470 1 1 1 1 1 1 1 1 1 3399 1 1 4518 1 1 1 1 1 7058 6349 1 1 1 1 1 8373 1 1 1 1 8797 16397 1 3976 1 1 14795 12807 1 1 6373 3489 180.063 *180.063* myo-Inositol 16467 5764 12724 11211 13233 11780 20991 10457 3256 14585 19030 18360 16263 14782 17556 17961 20630 16196 26560 6033 20086 18494 18475 16608 15194 28097 15756 113791 18369 24630 21374 21701 12365 16540 26111 21483 23013 24278 15341 16197 22211 89666 32951 40883 16077 13646 22921 17171 19631 23173 24910 34564 22189 23927 12775 20472 24068 25600 11958 22617 32122 34293 28434 25382 31255 26140 49778 53836 22448 22900 49300 43168 17216 17273 15853 19962 19230 24771 19685 7391 15524 21964 29081 27505 37498 35850 31577 49763 17372 18361 C00137 180.063 *180.063* myo-Inositol - 2.7986326 65454 11343 52471 49296 31989 30592 1 1 17255 21872 145425 167888 103896 1 20715 34138 1 1 1 6352 82237 64447 1 5627 1 1 90194 1 102440 131836 148226 1 52406 53629 1 1 190336 194745 88665 97602 94672 1 346543 1 59021 8368 228652 212359 81761 82092 130079 84010 8644 34236 176178 182158 39462 65132 8159 48810 143870 232148 64785 28546 89098 122012 6073 98391 38738 57946 9172 8031 112997 134350 1 1 123661 179427 52138 37382 1 1 113367 63934 38148 31294 1 1 4721 184980 C00137 180.063 *180.063* 180.063@2.88642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 1 1 1 1 1 1 1 1 1 1 1333 1 30602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2322 1 1 1 1 1 1 1 1 1 1 1 1 47696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28629 1 180.063 *180.063* 180.063@2.7140865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.063 *180.064* 180.064@1.4597787 8084 1 1 1 1 1 7303 1 10485 12402 1 1 12962 14315 18833 1 1 1 22101 18178 1 1 59496 1 1 8278 1 1 41530 1 5852 1 43091 1 16456 19292 31781 1 1 7158 1 26525 16753 1 13121 1 1 1 1 1 1 16810 51847 1 1 1 1 1 25062 24952 1 1 1 1 20407 1 1 45547 1 20932 17666 21561 1 1 14573 1 1 1 1 1 1 35138 6564 6264 1 1 16873 21461 1 1 180.064 *180.0642* Paraxanthine 27225 27025 1 1 124182 121680 25205 37420 38291 38652 65419 59339 60101 51528 76808 78797 1 1 69955 72474 15224 14938 284183 273756 30092 31463 66569 82598 112892 121897 30369 33591 164317 161459 63734 63941 141268 143833 32046 34136 139036 113928 83082 83685 46545 46878 154207 155090 64304 54455 66609 53655 129216 128359 2135 1 25265 26521 107466 101218 11985 12381 1 1 70634 90503 152709 147839 78527 73523 94799 96039 17046 17725 45272 43312 1 1 4307 4132 129586 124566 33068 33246 246499 293182 68558 70261 24589 27359 HMDB01860 C13747 180.0642 *180.0664* 180.0664@1.9764783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0664 *180.0689* 180.0689@1.9735209 1 5005 1 1 1 1 4305 8705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 1 2259 1 1 1 1 1 1 1 3975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0689 *180.0761* 180.0761@0.896809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4174 4096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4943 4134 1 1 1 1 180.0761 *180.0772* 180.0772@1.1780889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4878 1 1 1 1 1 1 3340 3669 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2788 2506 1 1 1 1 1 1 1 1 1 1 6520 2970 5368 8145 1 1 2844 1 1 1 1895 1 180.0772 *180.0773* 180.0773@1.1708701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 6819 1 1 1 1 2516 5356 1 1 1 1 180.0773 *180.0913* 180.0913@1.9730092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0913 *180.0916* 180.0916@2.0591507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0916 *180.0927* 180.0927@2.1683257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0927 *180.0962* 180.0962@1.292687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5044 1 1 1 180.0962 *180.1069* 180.1069@1.3873129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1069 *180.1101* 180.1101@1.3366157 1 1 1 1 1 1 5614 5267 1 1 1 1 2213 1 1 1 1 1 1 1 1 1 2402 1 1 1 1 3679 1 1 1 1 1 1 1 1 5129 1 1536 3713 1 1 1 1 1 1 1 1 1 4090 1 2836 1 1 1 1 1 1 3180 4693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15615 1 8375 1 1 1 9558 1 1 1 1 1 180.1101 *180.1119* 180.1119@1.4568523 3864 3108 1 1 1 1 4841 3984 4894 4969 1 1 1 1 6689 6040 1 1 1 1 1 1 4107 3079 1 1 3955 1 1 1 1 1 1 2961 2527 2386 1 1 1 1 1 1 1 1 1 1 1 1 4031 1 5448 2763 1 1 1 1 11795 11946 6565 3019 5041 1450 5267 5157 1 1 1 1 1 1 1 1 1 1 4731 12064 1 1 1 13375 1 1 1 1 1 8901 7605 4364 6346 8037 180.1119 *180.1123* 180.1123@1.3653297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4359 5885 1 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 8040 3428 1 1 1 1 1 1 1 1 1 1 1 5414 5194 4197 180.1123 *180.146* 180.146@1.1371237 1 1 1 1 8689 1 1 1 4652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45167 1 1 1 8901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.146 *180.1504* 3,6,8-dodecatrien-1-ol 3080 3185 1 1 1 8286 6185 5897 1 1 2379 2574 1 1 1 1478 5100 8253 2734 2789 2218 2206 2699 2491 2214 2223 1 1 3792 1 1 1535 6272 4506 3205 35266 1 1964 3347 3342 2641 2555 1 1 3321 3370 4423 1761 2374 2656 1 1 7482 2459 1 1 2973 3437 3655 4187 1617 1725 1 1 1 1 1921 1 1847 1941 2143 2311 1 1 1 2254 2547 2594 4244 4012 3699 3607 3937 3939 6773 7710 57397 55406 5155 4336 180.1504 *180.1755* 180.1755@2.7914343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5857 4042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1755 *180.1763* 180.1763@1.3511562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3939 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1763 *180.8883* 180.8883@0.75275576 1 1 1 1 1 1 1 1 1 1 1 1575 1 4777 4936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2087 1 180.8883 *180.889* 180.889@0.78657943 5435 1 7211 7591 11392 11349 14677 14605 11186 9233 10199 7552 11602 7100 3810 8373 10900 10702 11333 12057 9287 9546 8606 8505 10769 11009 8678 9460 9445 8938 8187 9794 13498 9276 8311 7619 8604 8282 7748 7476 1 7271 7662 7612 9309 10915 8329 8566 8718 7885 8691 8928 6500 1 8023 8488 8714 8370 1 1 1 1 6313 6557 9328 8942 9748 9724 7587 6679 8000 7513 7147 7136 5693 1 8017 7845 7493 7406 6392 1 5953 1 9185 1 8940 1 7663 10017 180.889 *181.0354* 181.0354@1.8802896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2662 4114 1 1 1 1 1 1 1 1 1 1 1 1 6799 7170 1 1 1 1 181.0354 *181.0364* 181.0364@1.960259 1 1 1 1 1 3720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 3910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8778 9228 1 1 1 1 181.0364 *181.0374* 181.0374@1.9678591 1 1 1 1 3320 1 4335 4288 1 1 3737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4710 1 1 1 1 1 1 1 1 1 1 1 1 3379 3687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5200 1 1 1 5037 4811 1 1 1 1 1 1 1 1 4497 3125 1 1 1 1 1 1 1 1 181.0374 *181.0427* 181.0427@1.0410725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 2919 1 1 1 2690 1 1 1 1 9983 9522 2514 1 5393 7665 1 1 4606 4639 6613 6419 3492 3003 1 1 1 1 1 1 2762 1 1 1 2924 1 1 1 1 1 1 1 1 1 1 1 1 2409 3034 2934 1 1 2722 1 1 1 1 1 1 1 4097 3831 1 1 1 1 1 1 3911 3434 1 1 181.0427 *181.0506* 181.0506@1.0434005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0506 *181.0593* 181.0593@2.9299307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5020 21184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 3940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0593 *181.0603* Adenine 23369 23041 38420 37990 26766 25358 52774 52178 28101 26370 1 8304 1 20806 19063 20788 29935 28792 21119 3355 1 23144 1 1 14967 11640 1 1 1 24602 1 1 37325 35869 1740 1 8486 1 1 1 1 9483 1 1 31982 31820 1 1 1 1 1 36707 20866 19708 1 1 33547 32448 1 14303 1 1 34907 24311 1 1 6354 1 18967 18163 27268 22007 25532 1 1 1 1 1 87349 65207 38996 38909 1 21276 25897 23162 32442 33045 1 1 HMDB00034 C00147 181.0603 *181.0668* 181.0668@1.465629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0668 *181.0676* 181.0676@1.4205472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0676 *181.0691* 181.0691@3.1002507 1 1 1 1 1 1 1 1 1 1 1 3898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 1 4324 4255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0691 *181.0728* 181.0728@0.8833303 6716 7126 1 1 1 1 30740 29865 1 1 1 1 4281 4480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6651 6226 1 1 1 1 1 1 1 1 1 1 4892 6079 1 1 1 1 1 1 5637 5638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18967 20176 1 1 181.0728 *181.073* 181.073@5.838177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.073 *181.0733* 3-Amino-3-(4-hydroxyphenyl)propanoate 15395 14906 16041 16402 19633 19631 8079 7287 15749 15959 19132 19799 16716 16646 19504 19121 14045 13439 18390 18381 12224 12941 13694 14067 19380 19438 18024 17026 18766 19258 17461 17824 14240 15470 14523 14522 18806 18561 15002 14001 2025 16617 21646 22297 14838 15114 18916 19289 24255 24015 17069 16967 17969 18766 18098 18727 14051 14509 19412 19751 24484 25249 12828 13394 17198 16868 21966 21515 15868 15467 32863 34191 14973 13011 12150 12492 13335 13924 15241 15248 19918 20264 22700 22523 22626 21232 16322 17121 19153 18932 HMDB03831 C04368 181.0733 *181.0744* 181.0744@2.6023006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9335 10344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8635 10503 1 1 1 1 181.0744 *181.0884* 181.0884@1.1997973 1 1 1 1 1 1 1 1 1 1 1 1 1 10392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0884 *181.1086* 181.1086@1.289053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5548 5392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.1086 *181.1092* ,4-Dimethoxyphenethylamine 3210 3321 1 1 3701 4336 3060 3627 7912 7036 3077 3828 4984 4798 3270 3277 1 1710 4962 4682 1 1 12098 12910 4072 3999 4429 4214 1 2378 4565 4271 4951 5251 4738 4433 3363 3699 5597 4952 5940 6532 4129 3664 3410 6486 7719 13337 4581 5003 2231 2063 6260 6187 2352 2298 3457 3180 5602 5343 2990 3249 1 1 1 1 22689 19599 6508 5906 9948 18102 6382 6751 2913 2795 11020 10677 1 1 9423 10662 4341 4393 10679 10440 4410 5446 6104 6349 181.1092 *181.8853* 181.8853@0.77505887 7584 1 10467 9967 9760 8956 13395 1 12052 13073 10928 10920 12753 12235 11234 11164 11265 11319 10879 12469 11004 10398 11488 11265 11719 11431 9171 9938 9859 7295 13724 9370 7616 7229 11251 11186 10653 10514 5117 9784 1 3522 14188 6871 10471 10519 9561 9351 12229 11856 4963 13200 11421 1 11011 10443 11616 12127 1 1 1 1 5620 5505 10757 10042 12130 11842 11211 10312 12769 12894 9274 9441 11304 1 8472 13031 10261 8771 10047 1 11256 1 15477 5656 4858 3429 13221 6554 181.8853 *181.8854* 181.8854@0.81014115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 7833 181.8854 *181.9797* 181.9797@5.5157986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9797 *181.98* C6 H2 N2 O3 S 83592 87169 84684 86056 89481 90658 99471 94747 94815 94455 84987 85408 91248 91150 97576 96506 94178 95352 109147 106816 94475 93474 93361 93835 105938 104581 79135 94326 89660 93829 90201 89673 93606 92314 92021 94995 92730 94283 90541 90975 97248 95371 82986 84036 91376 93356 91616 92038 96913 95007 98804 97158 99745 101231 92982 90048 93064 95065 90415 90211 88728 87118 94075 95522 93012 96563 102165 103288 98374 100634 109644 110698 86716 87165 93541 91483 90489 89853 93374 94588 100689 99336 96784 94278 100485 98533 107885 104749 88555 88092 181.98 *181.9841* 181.9841@5.799591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9841 *181.9857* 181.9857@5.684341 1 1 1 6178 1 1 5540 1 1 5968 2964 2722 1 1 1 5382 8359 7262 1 1 1834 1 1 5575 5214 1 7355 1 1 6766 3974 1562 7337 6053 6266 3978 6995 3718 1 1 4381 1801 1 1 1 5955 1 1 5672 1 1 1 5386 7113 1 1 4743 6167 1 1 1 1 1 1 5242 1 4312 1 1 1 5464 3675 1 1 5336 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9857 *181.9916* 181.9916@5.775849 1 1 1 1 1 1 4002 1 5164 4232 4122 1 1 1 1 1 1 1 3565 1 1 1 1 5131 1 1 1 1 1 1 2956 3143 4377 1 1 1 1 1 1 1 4031 1 1 1 1 1 1 1 3936 1 1 1 4650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9916 *181.9973* 181.9973@5.791368 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9973 *182.0008* 182.0008@5.4061184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0008 *182.0015* 182.0015@5.8261423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0015 *182.0017* 182.0017@5.797583 6831 1 1 6616 1 6486 1 1 1 1 1 8286 1 1 2879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0017 *182.0076* 182.0076@5.6218634 1 1 1 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 3136 1825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0076 *182.0084* 182.0084@1.0995177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4458 5863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0084 *182.0111* 182.0111@4.9828496 1 1 1 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0111 *182.0266* 182.0266@0.8136085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3454 3518 1 1 182.0266 *182.0308* 182.0308@0.8176683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4050 4064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0308 *182.0436* 1-Methyluric acid 92693 93468 5642 5855 80236 78518 190164 182732 42346 42563 147912 147664 71675 70683 55106 53337 4704 4369 78055 78835 9768 9602 109827 113572 6385 6551 59856 59339 65590 63795 42898 44283 85830 87094 53405 52753 34294 38136 32798 31271 132968 145923 59168 54905 43889 42672 72397 74692 26158 27143 73468 71941 38528 39905 6242 6185 65130 65812 33206 34040 8202 7512 3826 3984 31317 28979 145243 142107 47789 47210 191143 195183 13162 12728 15542 15687 3990 3837 21540 23645 123872 123330 19251 18857 246592 235470 43855 43318 42670 44471 HMDB03099 C16359 182.0436 *182.0437* 182.0437@2.7220821 50074 1 1 1 25201 25362 60183 63471 21318 14953 1 1 5140 5123 22390 17860 12855 12380 94654 89113 1 1 9424 11350 5265 6228 1 1 1 1 58190 23734 1 1 11089 10817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5612 6791 11112 10072 1 1 1 1 1 1 1 1 1 1 1 1 23758 1 1 1 63958 60099 1 1 4587 14341 1 1 1 1 26566 25163 6423 6447 1 1 1 1 6413 7400 182.0437 *182.0471* C11 H6 N2 O 1 67252 1 1 26034 22848 10346 10396 1 1 62569 69300 4313 1969 1 1 1 4761 5179 1 8469 8095 6206 2090 1 1 10550 4956 1 1 13324 14976 33506 54764 2810 3509 10366 7715 5931 1 35331 32844 1 1 1 1 35559 13700 1 1 1 1 1 1 32085 30692 51621 5973 1 1 1 1 1 1 6928 7096 1 25491 7660 16642 1 1 1 1 5382 4661 1 1 18543 15701 1 1 1 1 125831 129952 1 1 1 1 182.0471 *182.0484* 182.0484@2.7149937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3100 1 1 1 1 1 1 1 1 9673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0484 *182.0531* 182.0531@2.7643788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5493 1 1 1 1 5973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9397 9373 1 10507 1 36647 1 1 1 1 1 1 1 12029 1 1 1 1 1 1 1 1 1 1 1 1 7790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0531 *182.054* 182.054@1.9785442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6319 4805 1 1 1 1 182.054 *182.0568* 182.0568@1.444863 1 1 1 1 5212 1 13722 1 1 1 1 1 1 1 1 1 1 1 1 3216 1 1 1 1 1 1 3248 1 1 6102 1 1 3589 3934 1 1 4998 4786 1 1 1 1 1 1 1 24663 5562 5325 1 1 1 1 1 1 1 1 1 1 5115 4585 1 1 1 1 1 1 1 1 6470 6261 4604 4187 1 1 1 1 1 1 1 1 1 1 1 1 4837 5134 7808 1 1 1 182.0568 *182.0572* Veratric acid 3947 1 56915 57881 11389 11226 51023 49638 54370 53589 7298 6474 35384 37175 7354 58390 71529 66330 1 1 1 1 52616 53051 29867 27554 1 1 1 4308 68316 72903 4455 3412 48339 45136 1 1 1 1 6060 12609 4450 1 4812 5715 1 10112 2436 38033 61431 54354 14122 34100 1 1 8975 5551 5727 2648 26838 1 5001 1 1 1772 1 1 3293 9752 1 1 1 1 23083 24729 8204 1 8717 1 1 1 89104 93906 4767 1 1 1 1 47999 182.0572 *182.0573* 182.0573@2.5834777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0573 *182.0576* 182.0576@2.6961043 14146 1 1 1 1 1 1 1 1 1 1 6673 1 1 52835 1 1 1 1 98245 1 10465 1 1 1 1 27237 1694 23760 26218 1 1 8839 1 1 1 14951 16527 53245 52348 1 1 1 1 29642 14231 1 1 8624 1 1 1 18391 1 1 1 1 1 24396 24442 9607 1 9129 1 7105 7013 1 1 1 1 1 14135 22439 20770 1 1 18362 1 25611 30626 1 1 1 1 1 1 7091 1 1 1 182.0576 *182.0597* 182.0597@0.9064483 1 1 1 1 4133 3659 1 1 1 1 1 1 3509 4824 1 1 1 1 1 1 1 1 2956 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0597 *182.0602* 182.0602@1.1547122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2767 1 1 1 1 1 1 1 1 1 1 1 1 1 30678 30275 1 1 1 1 1 1 1 1 1 1 182.0602 *182.0637* 182.0637@1.1743238 1 1 1 1 1 1 1 3758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0637 *182.0667* 182.0667@3.2857792 1 1 1 1 1 1 1 1 1 10068 1 1 1 1 1 1 1 1 2573 1 1 1 1 1 1 1 1 1 1 1 7962 8124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0667 *182.074* 182.074@1.2182672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19577 1 1 1 1 1 182.074 *182.0743* 9-Hydroxyfluorene 2704 12160 5067 1 7946 1 18905 18536 1 1 32184 6559 12330 14194 1 1 1 1 20004 21250 9455 8123 1 1 1 1 3381 3873 7796 9485 1 1 1 1 5860 5187 1 1 1 1 6121 2506 1 1 1 1 1 1 4411 5083 1 1 1 1 1 1 5458 6167 1 1 5005 1 1 1 1 1 1 1 1 1 8670 48933 1 1 5586 5071 10644 11939 1 1 1 1 1 4369 10975 11392 6680 7518 1 1 182.0743 *182.0783* 182.0783@3.221474 9811 1 1 1 48758 53231 1 1 1 1 1 25279 1 1 67733 71165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43499 45951 1 1 1 1 318965 305380 1 1 1 1 1 1 1 1 1 1 1 1 92212 92609 53407 54752 1 1 43159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0783 *182.0879* 182.0879@1.1209054 1 1 1 1 1 1 3214 2296 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1 1 1 1 1 1 182.0879 *182.0967* 5-oxo-7-decynoic acid 1 3565 1972 2576 5203 5534 1 1 6290 1 1 1 6293 6596 2250 1815 2762 2602 1995 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1381 1 1 1 1 1 1 3659 3073 2564 1 1 1 4712 4671 1 1 1 1 1 1 1 1516 1216 1 1 1 1616 1673 1 1 1 1 1 2073 1 1 4235 1 1763 1695 1 1 1 1 1 2323 1 1 1 1 1939 1 1 1 182.0967 *182.099* 182.099@1.1356885 1 1 1 1 1 1 1 1 1 5746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.099 *182.1035* 182.1035@1.1444501 4996 1 1 1 1 1 1 1 1 1 5764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4085 1 1 1 1 1 1 3786 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 5630 4985 1 6376 1 1 1 1 1 4884 4242 1 1 1 1 4553 1 1 8356 1 1 1 4248 182.1035 *182.1091* 182.1091@1.1524892 1 1 1 1 1 1 5843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9258 6581 1 1 1 1 1 4166 1 1 6019 7635 1 1 1 1 1 1 4179 7503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 6718 5301 1 1 1 1 1 1 1 1 182.1091 *182.1163* 182.1163@1.157047 1 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4291 1926 1 1 1 1 1 1 1 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1163 *182.1175* 182.1175@1.176863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7396 5810 1 3701 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 4398 4039 1 1 1 1 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 4092 5018 1 1 1 4082 1 7134 1 1 1 1 1 3502 1 1 1 3690 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 182.1175 *182.1237* 182.1237@1.1826589 1 1 1 1 1 1 1 1 1 1 5159 1 1 1 1 1 1 1 1 1 3436 1 1 1 1 1 1 1 1 1 6496 8242 1 1 1 1 1 1 8662 8660 1 1 1 1 1 1 1782 1 1 1 1 5219 1 1 1 1 5084 1 1 1 1 1 1 1 6140 5191 1 1 1 1 1 1 1 1 1 1 1 1 9376 10015 1 1 1 1 1 1 9832 9979 1 1 182.1237 *182.128* 182.128@1.2886968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4861 1 1 1 182.128 *182.1559* 182.1559@2.3139534 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1574 1 1 1 1 1 1 1 1 1 1 1 1 2443 1 1 1 1 1 182.1559 *182.1925* 182.1925@3.2263405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1925 *182.9985* 182.9985@0.96499336 1 1 1 1 1 1 1 1 20031 20157 1 1 73289 74148 1 1 1 1 17918 17977 1 1 101980 99601 1 1 9208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7486 1 5124 5242 1 1 1 1 137483 103455 1 1 1 1 1 1 1 1 562183 567131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8255 8526 1 1 13215 13957 1 1 1 1 182.9985 *183.003* C3 H6 Cl N3 O4 1 1 1 1 1 1 4410 4773 1 1 3749 4007 3753 3615 3406 3488 3440 3661 1 1 1 1 1 1 1 1 1990 9479 4137 4227 1 1 1 1 1 1 1 1 1 1 4918 5040 1 7686 4195 5570 1 1 1 1 1 1 1 1 1 3087 4102 3692 1 1 1 1 1 1 6171 4680 3343 3619 1 1 1 1 1 1 1 1 1 1 3496 3981 3261 4400 1 1 1 2503 3126 3700 1 1 183.003 *183.0349* 183.0349@4.968828 1 1 1 1 1 1 2832 2718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0349 *183.0358* 183.0358@1.2338413 1 1 1 1 1 1 2910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4431 4263 1 1 183.0358 *183.0382* 183.0382@1.9721572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0382 *183.0383* C5 H13 N O2 S2 18237 17870 17607 16794 22139 2657 39662 36873 22011 24360 25373 23957 15525 14998 3074 9464 9462 11308 24792 24387 18305 18899 9718 10119 11751 13251 15499 18905 15051 15635 4943 19927 19695 19998 7021 6892 19065 18838 16346 18560 19934 18029 20642 22921 21059 2326 22951 23014 21109 6807 34375 36071 18310 16791 22431 21194 32602 32166 30817 27851 18732 24001 24270 21258 30610 23468 26017 24294 23930 27966 11458 26135 19187 18367 17544 16737 21359 18826 19139 19578 19383 4328 30078 29214 28722 29481 12745 13929 7329 34490 183.0383 *183.0383* 183.0383@2.0745378 1 1 1 1 1 23982 1 5685 7393 1 1 1 9124 9593 8533 1 6442 4843 7750 1 1 8017 1 1 1 8342 1 1 1 1 5403 1 12817 12435 1 1 1 7708 1 1 1 1 16914 1 1 20977 1 1 6257 21361 1 1 1 3725 1 7537 1 1 1 1 1 1 1 1 1 1 11733 1 1 1 22077 1 1 1 1 1 1 1 1 1 1 18740 1 11160 1 9205 1 1 31318 1 183.0383 *183.0386* 183.0386@1.6422008 1 1 1 1 1 1 1 1 1 1 198739 1 1 69687 1 1 1 1 1 80976 1 1 1 1 1 1 1 1 1 1 1 1 142925 28687 1 1 31955 37744 1 1 1 1 1 1 1 1 109869 1 1 1 1 1 76299 1 1 1 1 186852 1 1 81005 87385 25475 1 79653 131718 115322 60853 89203 1 209783 52634 1 1 1 1 1 1 100588 137795 1 1 1 1 1 1 140953 1 1 1 183.0386 *183.0387* 183.0387@2.137891 1 1 1 1 1 1 1 3970 1 1 1 1 1 1 3358 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 3129 1 1 1 1 6346 1 1 1 1 1 1 1 1 1 8128 1 1 7849 8507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9458 1 1 1 1 1 1 1 1 1 1 7827 1 1 1 1 1 1 4019 1 183.0387 *183.039* C5 H5 N5 O3 1570487 1560385 1467968 1494808 1828548 1858776 1808317 1821204 1933920 1899666 1435104 1778705 1814841 714372 1188199 1172557 1083477 1056131 1729863 1756776 1773973 1816575 1619750 1659013 1432977 1395335 1628825 1712920 1607762 1548725 1965682 1980726 1608915 1733708 1848554 1954627 1848858 1719015 1619730 1606009 2079932 2016733 1883478 1898540 1270165 1592728 1853665 1967963 1709786 1634320 1740274 1821383 1697402 1770592 1774009 1694221 1777891 1603470 1754854 1840113 1546090 1527297 1726610 1781219 1629449 1676204 1694552 1727278 1651141 1955594 2060382 2167971 1731935 1740397 1740122 1798108 1533700 1547979 1269274 1338035 1465953 1452850 1508919 1479644 1545947 1587998 1668607 1809227 1604105 1826823 183.039 *183.039* 183.039@1.6275755 1 1 1 1 1 1 1 1 1 1 1 1 1 297232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15124 1 1 1 187598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143411 130405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25905 1 1 1 183.039 *183.0391* 183.0391@3.2169757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7820 7836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0391 *183.0439* 183.0439@4.9727454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 183.0439 *183.0496* 183.0496@3.2140489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0496 *183.0515* 183.0515@2.8695524 1 1 1 1 1 4903 1 1 4495 1 1 1 1 1 1 1 1 1 14300 13989 1 18683 1 1 1 1 1 8191 1 1 1 1 1 1 1 1 1 1 10168 8414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5885 12325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7254 1 1 1 1 183.0515 *183.0522* 183.0522@3.2042139 1 1 1 1 1 3267 1 17291 4471 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0522 *183.0531* 183.0531@2.8433127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0531 *183.0691* 183.0691@3.221158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3737 2972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0691 *183.0804* 183.0804@3.4042876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 1 1 183.0804 *183.1117* 183.1117@0.96251506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10938 11025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1117 *183.1518* 183.1518@1.5743966 1 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 1 1 1 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3473 1 1 1 1 1 1 1 1 1 2362 1 1 1 1 2693 1 1 1 1 1 1 1 1 1 183.1518 *183.152* 183.152@1.519179 17741 13342 13533 15473 1 22894 23549 1 23343 1 21727 1 21590 22402 11803 10725 10771 7406 19087 20777 19656 20871 18655 17459 14770 15347 19635 17258 18736 18611 1 1 21746 20475 22162 1 1 1891 18929 15479 1 1 22241 1 18163 17413 1 1 18730 19093 21564 1 21876 21376 17799 19351 22756 1 20366 22799 18502 19814 18321 21513 21194 15142 1 1 1 1 1 1 20207 20447 21031 17174 17050 17713 14600 17592 14317 16298 17741 17318 19476 18006 1 23173 1 1 183.152 *183.1573* 183.1573@0.9624551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1573 *183.1619* 183.1619@0.963577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1619 *183.1982* C12 H25 N 5378 4195 4865 4840 1 6217 6074 1 6287 1 6472 1 6158 6360 1 1 1 1 6767 6522 6403 6356 5073 5573 4193 3996 5599 5626 5724 5852 1 1 6558 6047 6670 1 1 1 5764 6238 1 1 6974 1 5711 4806 1 1 5829 5272 6456 1 5585 5113 6078 4923 6568 6802 6539 6557 5346 5497 5926 6241 5835 6543 1 1 1 1 1 1 1 6326 7075 6226 4874 5421 5123 4943 4764 5292 6040 5569 5709 5144 1 7587 1 1 183.1982 *183.9988* 183.9988@0.9868851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58256 56846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.9988 *184.0069* 184.0069@0.9784301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0069 *184.0113* 2,4-DINITROPHENOL 15600 15159 16493 16191 14170 15125 14225 14623 13415 15554 14393 14107 1 1 12308 12519 13264 12848 16089 13465 13550 13158 1 1 12315 12448 10003 9940 11592 12102 14169 16098 16536 15897 13726 13487 14959 15181 13906 15749 13610 14052 15512 16129 14517 15708 1 1 13005 12460 1 1 14496 13568 14743 13599 12326 13460 10977 11390 1 1 14963 14630 14285 15280 14258 15567 12998 12460 12957 12267 12977 12788 16132 17494 15426 14778 10164 11461 15147 15479 15198 14779 14970 15005 11495 12434 14186 15396 184.0113 *184.0118* 184.0118@1.0147042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0118 *184.0144* 184.0144@1.025837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 184.0144 *184.0229* C5 H4 N4 O4 359072 358500 340104 336237 442842 456425 446192 442965 444928 459414 428640 429106 456675 463495 307360 300868 234402 245012 503041 506573 449410 455600 446867 447939 356004 366174 422842 437370 464845 451947 506397 517342 466307 475094 499258 513712 506093 508571 433139 434560 546475 570849 523260 513339 452712 419286 598546 582779 476692 469014 437934 463386 553071 539823 501119 482612 515454 520642 461101 501523 459503 472258 527818 521793 528972 426273 596468 621208 583981 596545 724807 707011 534175 561673 563326 505561 481722 497030 488229 485545 510000 521798 515106 518104 553678 544101 538293 536175 596093 612626 184.0229 *184.0229* 184.0229@1.4567665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0229 *184.0255* 184.0255@2.017742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0255 *184.0258* 184.0258@2.0816603 1 1 3142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3474 1 1 1 1 1 1 6153 7615 1 6624 1 1 1 1 1 1 1 1 1 1 6423 1 1 13158 1 1 8355 1 1 4272 8734 9167 1 2654 1 3778 1 1 1 1 1 1 6506 2667 1 1 5615 12655 1 1 11091 1 4714 9493 1 1 4748 1 1 1 9110 6979 1 1 1 1 1 1 1 1 184.0258 *184.0278* C10 H4 N2 O2 3386 1 5631 3962 1 1 6849 7530 1 7497 6216 6370 2227 1 3225 5086 1 1 1 2466 1 4562 5177 5825 2934 3315 1 2468 1 3892 1 1 12620 13029 1 2967 1 3362 1 2569 4441 7647 3275 3915 4190 4187 7905 2796 5131 7950 8112 7058 3926 4474 1 7688 8014 7849 11509 7935 6035 4047 4000 6182 5300 3009 6310 6206 6440 6065 8482 2600 4377 4575 4981 1 5842 7271 5070 3741 7348 9476 8200 8575 8339 11794 1 3417 7733 6892 184.0278 *184.0281* 184.0281@2.4118137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4487 184.0281 *184.0285* 184.0285@1.6030563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4963 1 1 1 1 1 1 1 2277 1 7566 2929 1 1785 1 1 1 1 1 1 1 1 1 5796 1 1 13650 120990 1 1 8942 1 1 1 1 1 129849 1 11932 1 12136 124842 9916 1 1 1 1 1 20792 1 124766 1 1 1 125100 1 1 1 121451 1 1 1 1 1 1 1 13101 11552 184.0285 *184.029* 184.029@1.9910132 6730 3282 1 2659 7724 4871 8149 8934 5562 5707 6828 7819 2012 3197 1520 4081 1 1 9255 8322 3962 1 1 2391 1 1 1 3784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4983 1 1 1 1 1 1 1 1 9005 10709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6138 1 1 1 14136 184.029 *184.0316* C6 H13 Cl O2 S 1 1 1 1 12408 1 1 1 1 1 9470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169034 1 1 1 1 1 1 1 132590 1 1 1 1 1 1 1 1 1 1 1 102871 108239 1 1 124844 1 88183 112337 1 117552 113596 108438 1 1 159097 99322 175098 1 95014 12945 120895 1 110474 1 119382 243558 1 99991 179801 1 1 160218 90646 102790 1 96234 155613 91407 113125 94195 96554 201554 112775 183421 184.0316 *184.0347* 184.0347@2.162723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0347 *184.0361* 184.0361@0.80653334 1 1 1 1 1 1 3163 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0361 *184.0393* 184.0393@2.16825 1 3352 1 1 9418 1 1 1 5987 1 1 1 7181 4436 1 1 5524 1 3663 9238 1 5502 1 4128 2882 1 3735 3766 4375 6786 1 6583 1 1 1 3312 6078 1 1 1 1 9092 1 1 5299 6171 1 1 1 5431 7105 1 1 2300 1 10010 8608 1 1 1 7275 4782 1 5455 1 1 8413 1 1 1 10400 1 1 1 1 1 6558 6741 1 1 11630 1 10346 1 1 1 1 1 8567 1 184.0393 *184.0441* 184.0441@2.1783164 1 1 9314 7408 1 11361 15898 16201 1 1 1 1 1 1 1 1 1 1 5402 1 1 1 1 1 1 1 3378 3939 1 1 1 1 10389 1 4881 1 1 1 1 1 1 1 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12553 15589 1 1 1 1 1 1 1 1 1 1 184.0441 *184.0503* 184.0503@2.2555335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4944 5624 1 5066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0503 *184.0533* 184.0533@2.2703924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6724 1 1 1 1 7170 1 1 1 1 1 1 1 1 1 1 184.0533 *184.0584* C5 H12 O7 36774 33013 1 1 42895 43491 81705 74832 29384 34598 75601 76523 34501 28416 33984 32746 1 1 29671 36129 1 1 60710 58414 1 1 42909 43134 32042 30996 29517 36072 42385 43582 21136 24023 19213 22734 13519 7505 66070 64929 28688 31392 33222 37687 43484 44257 20145 21005 41935 39112 22486 21321 1 1 38940 39712 17642 12926 1 1 1 1 7497 9176 77466 77423 26002 25296 77833 75917 1 1 1 1 1 1 1 1 67256 67722 16309 17203 180501 176934 28451 27462 27711 25605 184.0584 *184.0713* 184.0713@1.2803285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3833 1 1 1 1 1 1 1 1 1 184.0713 *184.0783* 184.0783@1.2768804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0783 *184.0838* 184.0838@1.280036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 5950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0838 *184.1085* 184.1085@1.9778746 1 1 1 1774 1 1 7050 6842 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 2007 1 2650 3599 1 1 1 1 3685 2191 4502 4044 2488 3625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3147 3406 2906 3600 6017 6483 3079 4687 1 1 3423 3639 184.1085 *184.114* 184.114@1.1733748 1 11946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3523 3590 1 1 1 1 1 2054 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 2804 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2908 3084 184.114 *184.1174* 184.1174@1.167475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1174 *184.1259* 184.1259@1.1744153 2220 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2307 1 3079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 2782 18327 1 1 1 1 184.1259 *184.1281* 184.1281@1.1748478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 1 3499 1 1 1 1 1 1 1 1 184.1281 *184.1364* 184.1364@1.4239907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7529 2283 184.1364 *184.1372* 184.1372@1.3978708 6500 1 1 5155 4165 5187 1 7410 8963 1 8112 8382 5595 9077 6910 5089 2653 1 6060 7484 8937 9978 8345 8998 6647 1 5950 8165 7376 6799 11005 12091 7133 10208 9560 1 7635 9455 1 1 1 11769 7323 7746 8984 1 5005 11064 7637 9680 5809 6641 1 10488 9385 8496 9922 1 1 8185 9273 7626 9769 10984 8226 7906 1089 9514 11699 3090 11781 12208 9449 8207 6328 9191 6799 4351 1 7650 10722 1 7158 1 8965 1 1 9458 3941 9575 184.1372 *184.1377* 184.1377@1.1414078 1 2270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1377 *184.1396* 184.1396@1.1872749 1 1 1 1 2817 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 2158 1 1 3682 1 1 2601 1 1 1 1 3648 3139 1 1 1 1 1 1 1 1 2607 2053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 1 1 1 4280 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 184.1396 *184.1413* 184.1413@1.2383602 1 1 1 1 1 1 1 1 3816 3464 4336 1 3624 1 1 1 1 1 1 1926 1 1 1 1 1 1 2918 1465 2345 3007 1 1 1 1 1 1 1 1 19674 1 1 1 1 1 1 1 1 26626 1 1 3807 4254 1 1 1 1 1 1 1 1 3227 1 1 1 1 1 1 1 1 1 4105 1 1798 1 1 1 1 1 1 1 1 1 1 1 4323 1 1 3593 1 1 184.1413 *184.1452* 3E-undecenoic acid - 1.2864791 7170 6132 3829 5432 7561 6274 37581 31071 13581 13184 8724 8909 9785 11167 8283 8159 12537 13517 7476 10984 8414 9717 10468 11570 5047 7386 5803 6148 8359 7754 14575 13706 21835 23005 6381 5959 27768 30096 56774 73475 14290 13790 1 1 5691 4779 16351 15124 13561 11246 13607 15694 24266 25562 6729 6056 23924 22187 25258 24656 8501 7717 20453 20200 1 1 1 1 8315 12317 1 1 1 1 5466 7776 1 1 33689 26483 23323 22065 26785 24636 17302 25169 18053 21261 9073 8416 184.1452 *184.1455* 3E-undecenoic acid 1 1 1 1 1 1 84876 77578 1 1 1 22983 5171 61056 32816 2664 57202 56080 3866 18955 63330 63537 3550 3582 2431 1 1 20805 4307 4258 7963 84111 43690 45063 3062 1 40346 41568 18316 115567 2199 1 1 1 21412 4969 23676 9240 1 3249 40238 39590 36226 36075 4622 4244 44939 63938 26831 32348 1 8348 39894 45489 38203 34383 27142 1 25290 25214 1 32168 1 1 4353 5436 2177 2716 43609 10435 49573 48983 35064 36946 69576 68402 94910 96753 36012 4638 184.1455 *184.892* 184.892@0.7708547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3203 1 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 3235 5986 5046 1 1 1 1 4178 3820 1 1 1 1 4781 4113 3919 4210 1 1 1 1 184.892 *184.9532* 184.9532@3.2369335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2136 1 1 1 1 3218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.9532 *184.9982* 184.9982@0.9654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.9982 *185.0077* 185.0077@1.0844514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3236 3521 5551 5477 9140 9092 1 1 1 1 5448 4839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0077 *185.0286* 185.0286@1.4784198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0286 *185.0634* 185.0634@5.9883475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 1 1 1 1 185.0634 *185.0658* C3 H11 N3 O6 1 1 1 1 1 1 1 1 1 1 1 3809 1 1 1 1 1 1 4456 1 1 1 1 1 5466 5246 1 1 1 1839 1 1 1 1 1 4413 1 1 1 1 1 1 5625 5338 4113 1 5219 5345 4852 1 3284 4981 1 1 5428 5080 6028 5404 1 5312 6665 6363 1 1 5257 5448 3194 5741 5464 5593 1 1 4582 4750 5698 2575 5955 6454 1 1 1 1 6299 4390 1 4742 1 1 4734 5195 185.0658 *185.0865* 185.0865@1.9739647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 2571 1 1 1 1 185.0865 *185.104* 185.104@3.2503314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4872 5762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8714 7603 1 1 1 1 1 1 1 1 185.104 *185.1045* Ecgonine 2605 2175 3340 3256 3160 3251 3973 4491 3746 4020 3535 3706 1 1 3162 2962 1 1 1 1 1 2152 2947 2778 5043 5229 2678 2333 3740 3508 4832 4844 3477 3276 1 1 4063 3997 2957 3472 4625 4943 5540 6048 5733 6156 2919 3036 3708 3933 4460 4640 3556 3801 5120 4654 9044 9384 4596 4894 6701 6825 4491 5389 2759 1 10140 9920 8804 8214 11649 11602 5147 5530 2888 3396 4133 3959 3839 4568 3627 3838 8294 7677 4743 4801 5780 5654 5419 4535 185.1045 *186.0132* 186.0132@1.9926279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5460 6478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0132 *186.0201* 186.0201@1.1541573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9954 15319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0201 *186.0252* 186.0252@1.0809158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0252 *186.0329* C11 H6 O3 1 1 1 1 4881 4134 8943 8872 4313 5128 5088 5484 6704 5422 4519 4640 3170 1 4780 1 4503 5394 8517 8336 1 1 1 1 3906 3907 1 1 1 1 1 1 1 1 10127 9434 4283 4107 3045 1 1 1 3805 1 1 1 6793 5270 1 1 4040 1 8000 7719 1 1 14710 14810 1 1 7206 1 1 1 1 1 6800 6993 1 1 1 1 1 1 8341 9715 1 1 4779 5129 5676 5482 5954 6942 1 1 186.0329 *186.0356* 186.0356@1.0855551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0356 *186.036* 186.036@1.9791625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17736 186.036 *186.0376* 186.0376@1.6225197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7439 1 1 1 1 1 1 1 1 186.0376 *186.0381* 186.0381@1.5333005 1 1 1 1 1 1 75903 1 1 1 1 1 1 1 1 1 1 1 1 1 46779 1 65597 61519 1 1 1 1 64087 1 1 1 70135 1 78250 1 77455 70660 1 1 1 1 1 1 61067 64452 1 1 1 66588 1 74994 67106 70592 1 1 1 74218 1 1 1 1 1 1 71386 1 1 1 1 1 1 1 72210 1 1 65651 1 1 1 1 1 27156 1 1 1 1 77636 1 70375 1 186.0381 *186.0383* 186.0383@1.4986823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25226 1 1 1 1 1 1 1 1 186.0383 *186.0648* 186.0648@2.0430768 1 1 1 1 1 1 2334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0648 *186.0876* 186.0876@1.3270372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8463 4583 1 1 186.0876 *186.0885* C9 H14 O4 1 1 7755 8647 5522 4322 24895 23331 8572 4332 7334 7137 1 1 4128 1964 1 1 1 1 4403 4906 1 1 1 1 2256 4350 4913 5423 6581 7487 10702 9847 1 1 1 1 5370 1 1 1 1 1 6536 6318 7501 5851 4269 1 8104 9091 1 2959 5483 5466 4899 7700 6822 6584 1 1 11087 10014 1 1 1 1 1 1 1 2800 1 1 5451 5049 4716 6286 22641 25004 9466 7942 4672 5598 8573 12931 5807 9379 6031 5255 186.0885 *186.0944* 186.0944@1.3117472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 6971 7368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5691 1 1 1 1 1 186.0944 *186.098* 186.098@1.2827197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.098 *186.1023* 186.1023@1.2675685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1023 *186.1047* 186.1047@1.1010866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666621 672806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863396 868360 1 1 1 1 1 1 1 1 1 1 1 1 31089 31472 1 1 1 1 302763 300387 1 1 1 1 1 1 1 1 1 1 1207039 1193804 1 1 1 1 1 1 1 1 8206 8665 16240 15401 1 1 1 1 1 1 1 1 1 1 1 1 186.1047 *186.1058* 186.1058@1.1493424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1058 *186.1128* 186.1128@1.9757936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 4282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1128 *186.1161* 186.1161@1.1683542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10801 8556 1 1 1 3722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2758 1 1 1 4541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3805 3962 1 1 1 1 1 1 1 1 3688 4051 1 1 1 1 7572 8435 1 1 1 4751 1 1 1 1 1 1 186.1161 *186.118* 186.118@1.9790266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.118 *186.1233* C6 H14 N6 O - 1.9811236 1 1 1 1 1 1 5697 3561 1 1 1 2254 1 1 1 1 1 1 3181 3522 1 1 1 1 1 1 1 1 1 1 1 1 2623 3269 1 1 1 1 3106 5029 1 1 1 1 2604 3491 2921 2585 4366 4958 3518 4781 1 1 2398 1 5461 7343 3914 4245 14513 10805 1 1 1 1 5500 5820 3259 4953 1 1 1 1 1 1 1 1 5961 6044 8615 9701 4852 4698 10776 9435 4835 1 10997 7572 186.1233 *186.1235* C6 H14 N6 O 3114 3641 2518 2879 4777 3866 6465 4827 7782 4818 3615 3361 5455 4986 3753 3685 1 1 7888 6994 5422 9482 1 1 6081 7653 3413 1 9614 8863 7012 7731 1 1 3342 3153 5362 5770 11096 11173 10984 13072 1825 1 5013 6573 7196 1 6239 7129 5802 5211 1 1 4431 4748 12498 12031 6500 6857 10052 1 1 1 1 1 6563 6699 4381 4311 1 9361 1 1 12894 15812 6325 7140 2206 1 12848 1 5317 2287 23710 1968 12218 1 4937 4717 186.1235 *186.1235* 186.1235@2.056244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5359 1 1 1 1 1 1 1 1 1 1 1 4289 1 1 1 1 4528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1235 *186.124* 186.124@1.1226186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5285 1 1 1 2283 1 1804 1 1 1974 2990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3975 1 2008 1 1 1 1 1 186.124 *186.1981* 186.1981@1.2067897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2613 2465 1 1 186.1981 *186.2174* 186.2174@1.0999969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5042 5073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.2174 *186.9558* 186.9558@1.1051397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4555 4541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.9558 *186.9676* 186.9676@1.5360345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3996 4090 1 1 1 1 1 1 5260 4897 1 1 1 1 4492 4497 1 1 1 1 1 1 1 1 1 1 1 3894 1 4443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4280 4466 1 1 5387 4480 1 1 1 1 1 1 6818 6784 1 1 186.9676 *187.0065* 187.0065@0.99132836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 2049 1 1 1 1 1 1 187.0065 *187.0496* 187.0496@0.8022123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0496 *187.0516* C7 H10 Cl N3 O 3691 3661 3033 3081 2970 1 1 1 1 1 3532 3324 1 1 1 1 1 1 3834 3715 4086 4683 1 1 3305 3040 7045 7832 5058 4776 1 1 4286 4040 1 1 4748 4978 9738 9352 3411 3365 3334 3317 4601 5238 2636 1 4721 3844 1 1 2631 1 5517 5515 4228 3553 3789 3297 1 1 3764 3595 2947 2942 1 1 2992 3671 3161 3008 4686 4305 1 1 1 1 4299 3995 8054 7653 1 1 3739 3458 2902 1 1 1 187.0516 *187.052* 187.052@3.2007692 1 1 1 1 1 2364 1 1 1 1 1 1 1 8303 13686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16559 20517 1 1 1 4837 1 2985 1 1 1 1 1 1 1 1 1 1 1 6608 20733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8728 1 1 1 1 1 1 1 1 1 1 4506 1 1 1 1 1 1 1 1 187.052 *187.052* 187.052@3.3849676 1 1 1 1 1 1 1 1 16840 1 1 1 1 1 1 1 1 1 1 1 1 2419 1 1 1 1 1 1 1 1 3743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.052 *187.0522* C5 H9 N5 O S 104213 1 1 1 99062 80060 1 1 1 1 124535 82923 26229 9753 105737 1 1 1 179890 1 1 105827 1 1 122954 148556 1 139808 17997 174355 1 1 161496 118470 1 17596 101724 115324 1 1 1 192303 1 93315 1 131899 1 1 44293 65758 41327 1 1 108026 1 76012 1 110159 1 1 1 1 1 1 92048 54695 68423 71674 110700 1 21913 139215 1 1 1 1 59734 1 1 20009 160165 175441 1 1 150836 191816 1 1 1 1 187.0522 *187.0522* 187.0522@3.4905274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0522 *187.0528* 187.0528@2.7022552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116740 118037 1 3716 1 1 1 1 1 1 1 19384 1 1 3176 3108 1 1 1 2891 54608 39229 1 1 1 1 1 1 1 1 45403 21471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27172 1 1 1 1 1 18848 1 1 1 1 1 1 1 1 98615 97460 1 1 47265 39409 1 1 1 1 187.0528 *187.0625* Indoleacrylic acid 1 1 3459 2913 1 1 4551 4633 1 1 1 1 1 1 13184 12687 2319 2274 19912 20273 1 1811 2422 1932 1523 1 1 1 4926 5132 1 1 7838 7587 1 1 10888 11242 1 1 2522 2257 2125 1976 2765 3398 1 1 1 1 2934 2746 2994 3645 1 1858 1 1 1 1 3628 3966 1 1 1 1 5014 5845 1 1 1 1 2363 2279 1 1 1 1 1 1 2070 2181 1 1 1 1 1 1 2821 3500 HMDB00734 C00331 187.0625 *187.0836* 187.0836@1.9734309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2149 2792 1 1 3759 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 2563 1 1 1 1 4494 1 1 1 187.0836 *187.0871* 187.0871@1.9756901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 2546 3120 1 1 1 1 187.0871 *187.1073* 187.1073@1.973 1 1 1 1 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1073 *187.1198* 187.1198@1.434679 1 1 1 1 1 1 66333 66170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66651 67199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6878 6621 1 1 2831 4609 1 1 1 1 1 1 1 1 1 1 6857 6353 69466 68708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1198 *187.2231* 187.2231@1.0994668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2939 2463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.2231 *187.9401* 187.9401@0.65611184 8365 1 1 1 1 8157 1 1 1 4415 8445 1 8204 1 7535 1 1 1 9142 11991 8027 3670 8865 9386 9007 8341 9280 9318 8228 8824 1 9235 10731 1 8572 1 6110 8827 8258 10817 1 8546 1 1 7404 7152 6911 9064 1 1 8829 9501 7503 5047 7254 1 10652 1 8785 9842 8861 1 6406 6197 8859 8762 1 8299 7594 4126 1 1 8390 7087 8106 8857 1 3753 6784 7711 1 1 6137 9359 7145 9371 1 11255 1 8183 187.9401 *187.9403* C6 H4 O S3 1 3065 1 13276 9295 9179 4579 3691 7753 10478 1 1 3726 2385 2390 1 1 1 8204 1 1 1 1 3661 1 1 11462 11165 1 1 8865 1 9409 7550 9014 10792 1 9368 1 1 12426 13945 1 11070 1 2781 9590 1 3628 6679 4923 12073 10203 10281 12461 10092 1 1 11434 6969 1 1 1 10502 6240 5030 4440 1 1 7425 11666 3548 8359 1 10183 1 1 1 1 1 1 8737 1 3806 4951 1 4006 1 4392 1 187.9403 *187.9403* 187.9403@1.9820514 17642 17720 19324 18945 2562 18924 20191 10925 1 15866 18593 15436 18612 15092 12358 1 3240 16722 15492 16155 1 15947 16508 16421 14545 12660 2870 17516 14479 2864 1 15526 17959 1 14549 13305 17685 14840 15481 1 13352 12463 16628 16461 14485 1 2488 1 16963 15692 14773 1 15219 12157 15583 12380 15793 12855 15275 15639 12609 13815 13954 12632 7433 16233 13621 14046 13526 13778 13119 14444 14937 16479 13195 1 14641 1 16629 13680 13436 12252 14286 14551 12486 12881 12344 12943 13551 11821 187.9403 *187.9404* 187.9404@1.4351852 1 1 1 1 1 2244 1 5033 2638 1 1 1 1 7272 1 1 1 1 2486 1 1 1 1 5845 1 1 1 1 1 1 3974 1 1 3654 1 4249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5371 1 1 1 1 1 1 1 1 1 1 1 1 5201 1 1 1 5832 1 1 1 1 1 1 1 1 1 1 5063 1 1 1 1 1 1 1 1 187.9404 *187.9404* 187.9404@0.8568784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9404 *187.9405* 187.9405@1.5117964 1 1 1 1 1 5278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9405 *187.9406* 187.9406@3.061347 1 1 1 1 1 4061 1 1 1 1 1 1 1 11359 6297 1 1 1 1 1 1 3347 8854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4291 1 1 1 1 3466 1 1 3884 1 1 8172 1 1 2787 1 3247 1 6882 1 1 1 1 1 1 1 1 1 1 2957 1 1 1 1 1 1 1 8583 1 1 1 1 2315 1 1 1 1 1 1 1 1 2773 1 187.9406 *187.9407* 187.9407@1.147603 3817 3544 1 1 1 3092 3586 3916 1 1 7807 7411 4640 2402 1 1 1 1 1 10521 3704 4015 1 1 1 1 1 1 7135 9904 1 1 10910 17654 1 4723 1 5697 1 5584 1 4422 1 2464 6893 7049 3005 3694 2726 3226 4435 1 1 1 1 1 1 4552 1 1 1 1 2928 1 1 1 4574 1595 1 1 4289 5035 1 1 1 1 1 1 5206 4612 1 3672 3955 1 6592 4997 1 1808 1 4647 187.9407 *187.9407* C9 O S2 8689 12118 11116 12120 1 8016 10095 8226 8657 5470 6432 8266 8090 7539 4391 1 10015 10251 6634 5609 8385 10011 1 1 11572 7873 6634 1 1 1 10367 11676 1 6743 6140 1 1 8336 9740 12171 1 9424 1 1 1 7073 9819 8221 7635 10906 12322 15105 11316 8939 1 6644 1 6236 10339 5830 1 1 6633 7649 1 9171 4991 1 1 5339 1 6583 7436 8030 9035 1 1 1 1 1 1 7197 1 5865 8385 7244 11943 1 5057 1 187.9407 *187.9407* 187.9407@1.9725413 1 1 1 1 17772 1 1 7642 16103 1 1 1 1 1 1 12647 13835 1 1 1 17172 1 1 1 1 1 14030 1 1 15105 16529 1 1 17540 1 1 1 1 1 14838 1 1 1 1 1 15019 12728 15593 1 1 1 14630 1 1 1 1 1 1 1 1 1 1 1 1 7027 1 1 1 1 1 1 1 1 1 1 13397 1 12952 1 1 1 1 1 1 1 1 1 1 1 1 187.9407 *187.9407* 187.9407@3.0298285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9407 *187.9407* 187.9407@3.113019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9407 *187.9409* C7 H2 Cl2 O2 6294 6504 4835 1 8247 7971 7585 6071 10060 10302 6478 6422 6224 3865 7502 10608 18804 15769 8916 7994 7622 7797 9293 10855 5499 6165 10366 8741 10479 8191 14823 15964 15834 5359 5942 5440 9444 7818 15406 10494 10362 7738 7525 8791 8852 8911 5650 7342 4717 5516 11677 10227 11800 12885 6913 1 6441 9025 3861 6547 2998 4143 1 1 28160 25852 4076 3249 7974 3059 9840 3919 2752 3881 1 1 7096 5895 8544 7910 7021 8818 3940 4165 4509 10376 12986 10020 2639 3934 187.9409 *187.9409* 187.9409@4.275287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9409 *187.941* 187.941@3.4260645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 1 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.941 *187.9411* 187.9411@3.2927477 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9411 *187.9411* 187.9411@2.9155893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4757 1 6052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9411 *187.9412* C6 H4 O S3 - 2.9238744 18915 9380 13039 1 1 3193 11712 1 13685 1 1 1 1 10081 5423 1 32683 19056 1 7309 1 10057 7189 1 1 1 4881 1 1 1 3560 1 1 1 4766 23794 1 3804 1 1 1 8984 1 6085 1 8337 1 7393 8547 16132 1 11638 1 12958 1 13315 1 1 7649 1 1 1 1 5450 11757 10524 3956 1 1 4292 1 1 1 1 8643 10086 11319 1 1 1945 1 8157 1 3331 1 1 1 1 12479 1 187.9412 *187.9413* 187.9413@3.1511054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9413 *187.9415* 187.9415@3.244314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9415 *187.9422* 187.9422@3.1841798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.9422 *188.0138* C7 H8 O4 S - 1.049424 19777 17292 7541 6490 28586 33005 17606 73215 26890 26271 29112 29200 22027 17753 18440 15602 8188 5730 47237 49153 23375 24903 20801 17197 27964 29417 9131 10977 31815 30852 25056 29569 20513 79219 15808 26723 20420 20337 28064 24390 12830 8122 16458 21743 38407 36627 1 1 11237 9737 66018 70566 8114 1650 1 16248 31169 36390 8865 7219 1 1 7016 6243 6973 7850 20927 15167 9760 13309 15585 16517 11218 1 5226 1 25162 15585 27415 26871 18239 14448 3912 3062 37623 11983 6509 5345 23353 89729 188.0138 *188.0138* C8 H4 N4 S 5013 5591 1 1 12629 2101 72492 25493 2354 15932 1 1 2305 2320 9814 6516 21402 24080 16435 17110 11084 3703 12184 5576 1 10319 1 1 8679 1 2579 1 47184 28579 7463 19662 6948 10143 11347 11927 7257 3463 12772 3101 22310 12205 1 1 4041 3891 24615 12512 1 5599 13079 3803 27526 11869 3513 4642 1 1 1 1 36282 33082 15230 1 10216 10585 1771 22743 6716 6581 5513 3661 12500 13794 6099 19168 7673 2133 1 1 31079 31462 1 1 7536 6205 188.0138 *188.0138* 188.0138@0.96220446 1 1 1 1 13509 1 1 1 1 9149 1 8769 1 1 1 1 1 1 1 24386 1 1 13051 11914 1 43592 1 1 14038 1 19956 1 11088 1 1 1 1 1 1 1 1 1 1 1 1 28070 1 1 1 8229 1 1 1 3304 1 9884 1 24886 1 2899 1 1 1 1 1 1 17277 1 1 1 7501 1 3878 1 1 1 8310 11970 1 1 1 11837 1 1 1 1 1 1 7998 1 188.0138 *188.0139* 188.0139@1.3731859 1 1 1 1 1 1 1 6593 1 1 1 1 1 1 1 1 1 1 1 3743 1 7806 1 1 1 1 1 1 1 1 3640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13073 1 1 1 1 1 1 1 1 1 1 1 4912 1 1 1 1 1 1 3017 12462 7783 1 1 1 1 1 1 1 1 1 1 6124 1 1 1 10486 1 1 1 1 1 1 1 1 188.0139 *188.014* 188.014@1.2928045 9747 2876 1 1 1 16345 24892 4444 15813 1 1 1 10580 10268 1 1 6910 6429 29130 25137 1 2171 1 15225 1 1 1 1 1 1 11527 1 24729 1 19157 1 5630 1 1 1 1 7718 1 5980 1 12330 1 1 11972 8710 1 15360 1 1 1 9837 1 23219 1 1 1 1 1 1 7998 1581 1 1 1 1 17085 1 1 1 1 1 1 1 3335 1 1 1465 1 1 1 1 1 1 29664 35391 188.014 *188.0141* 188.0141@0.8459291 1 1 1 1 1 1 1 1 1 1 134885 332178 1 1 1 1 136513 1 1 1831782 1 1 340692 1 1 79053 1 1 1 1 471033 1 1 1 1 113601 1 1 1 1 1 1 1 1 1 98137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213501 1 1 1 1 1 1 137262 1 1 1 1 1 1 1 1 1 1 262672 1 188.0141 *188.0142* 188.0142@1.6374767 1 1 1 1 1 1 1 5560 1 1 3621 1 1 1 1 1 1 1 6751 7963 1 1 1 1 4293 1 1 1 1 1 1 1 4084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9179 9923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 1 1 1 5367 1 1 1 1 1 1 1 1 1 1 1 1 5474 1 1 1 1 1 188.0142 *188.0148* C7 H8 O4 S 4633706 4647486 2867788 2904315 5502540 5500668 8655768 8621954 5467640 5455380 6201201 6031453 4502699 4519530 4528833 4518091 4317911 4468648 7680022 5856597 5272566 5290678 4000700 4377240 6333627 6519526 4222123 4331437 4584526 4561683 4234949 4774946 6127640 6115617 4809970 4778660 3003106 3032239 4043476 4052027 2291440 2475876 3740910 3768049 7137064 7006399 306503 280799 4077777 4059021 7880995 7802085 1626539 1632771 4293177 4280969 6887249 6936238 2045235 2069725 177329 219451 2149588 2139502 3746217 3781019 5837774 5824045 3467948 3524958 5053121 5204037 3330825 3329130 2606917 2616809 5220872 5137443 5209904 5414973 3465107 3444290 2407692 2400370 6747620 6722830 1571107 1583829 8010628 8165525 188.0148 *188.0166* 188.0166@1.9848272 1 1 1 1 1 1 17402 13836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6974 6941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0166 *188.0179* 188.0179@1.9901404 1 1 1 1 4553 4643 1 2188 6629 1 1 1 1 1 1 1 1 1 8869 9560 1 1 1 1 1 1 1 1 1 1 3767 1 1 7215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7623 7126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6803 9910 188.0179 *188.0184* 188.0184@1.6360382 1 1 1 1 1 1 1 1 1 1 1 3748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0184 *188.0221* 188.0221@0.83435607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13834 1 1 1 1 1 1 1 1 1 1 1 1 18297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0221 *188.0226* 188.0226@1.9852004 1 4500 1 1 1 1 1 1 1 5475 7540 6673 1 1 1 1 1 1 1 1 5256 1 4908 1 1 1 1 1 1 1 1 1 5820 1 1 1 1 1 1 1 1 1 1 1 5986 8647 1 1 1 1 1 1 1 1 1 1 8336 6916 1 1 1 1 1 1 1 1 7070 7374 1 1 1 5204 1 1 1 1 5960 1 2749 2973 1 1 1 1 5854 5040 1 1 1 1 188.0226 *188.0235* 188.0235@1.4682126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 188.0235 *188.0292* 188.0292@1.975766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5294 1 1 1 1 1 1 1 3271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 1 1 1 3524 1 3181 1 1 1 1 188.0292 *188.0371* 188.0371@1.9844313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7362 1 1 1 1 1 1 1 188.0371 *188.042* 188.042@1.9529991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 188.042 *188.0425* 188.0425@1.9762976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4610 5771 1 1 1 1 1 1 1 1 1 1 6165 7245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4464 4024 1 1 1 1 1 1 2363 3628 1 5125 1 1 7570 1 1 1 188.0425 *188.0435* 188.0435@4.3009615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0435 *188.0449* 188.0449@1.2056683 1 1 1 1 1 1 1 1 1 1 12756 10988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3256 18087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0449 *188.0454* 188.0454@1.1928532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0454 *188.0481* 188.0481@3.8385499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0481 *188.0485* 188.0485@3.3993626 1 1 1 1 1 6127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6057 1 1 1 1 1 1 1 1 1 1 1 1 1 4344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0485 *188.0486* 188.0486@3.5246525 1 1 1 1 1 3035 1 3150 1 1 1 1 5400 1 1 1 1 1 1 1 1 5817 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 1 1 1 1 1 1 4616 1 1 1 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0486 *188.0488* 188.0488@2.9490018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0488 *188.049* 1-Hydroxy-2-naphthoic acid 501713 553481 328945 327209 489082 509563 228163 151126 1 90706 388971 387325 89558 54099 22969 591736 1 303719 1 706492 1 217004 239143 1 393062 718648 168606 346419 740109 1 1 1 189605 774935 1 1 172410 17051 179210 1 457317 494008 1 341038 402863 74540 408335 339747 175412 52838 1 80488 222835 195256 1 784776 264387 363922 401294 1 315050 245826 189594 212112 99574 143405 397415 425107 342584 138642 199314 530949 265387 409564 1 202822 365860 1 192985 1 306681 157007 1 1 330512 535536 185218 441402 101208 471295 188.049 *188.049* 188.049@2.8874843 1 1 1 1 1 1 1 1 1 1 1 1 69371 1 619889 1 1 1 1 1 178082 329058 1 1 1 1 358522 1 1 1 1 1 494127 1 1 1 284379 278287 403548 434536 1 1 1 1 1 429321 1 1 266013 415911 1 1 1 298581 1 1 277475 1 1 1 1 1 256225 1 1 210081 11014 1 1 1 530113 1 1 1 1 1 1 1 1 1 391859 662292 1 1 397331 1 447818 1 389968 1 188.049 *188.0491* 188.0491@2.6669743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510974 495731 1 6901 1 1 1 1 1 1 16032 26844 1 1 1 1 1 1 1 14553 249549 184282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8757 1 1 1 55673 67549 30154 28436 1 1 1 1 52265 1 352146 375022 1 1 158339 142703 1 25711 1 1 188.0491 *188.0508* 188.0508@1.977593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4467 1 1 188.0508 *188.0557* 188.0557@1.9762762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0557 *188.0648* 188.0648@1.9762251 1 1 1 1 1 1 1 1 3068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8591 1 1 1 1 1 1 1 1 1 1 188.0648 *188.0716* 188.0716@2.2997785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7951 6911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0716 *188.089* 188.089@1.9751441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.089 *188.1045* 188.1045@1.2690349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12926 1 1 1 1 1 1 8395 7012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3375 1 1 1 1 188.1045 *188.1072* 188.1072@1.2414253 1 1 1 3784 1 4830 4328 1 1 1 5481 1 1 1 1 1 1 2925 1 1 1 1 6362 5198 1 1 1 11593 1 1 1 1 1 1 1 1 1 1 7780 3452 4210 1 1 1 1 1 1 1 7177 5522 2250 1 53706 44871 1 1 1 1 5114 1 26942 31898 4679 12129 5340 1 4375 4843 1 1 1 4330 1 1 1 1 1 1 4322 9483 1 1 1 1 4518 1 1 1 1 3328 188.1072 *188.1093* 188.1093@1.2494549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1093 *188.1117* C7 H16 N4 S 1 1 1 1 1 7629 1 1 1 3522 1 13011 1 4341 1 4590 6695 7057 4168 4038 1 1 8652 9066 3988 3308 1 1 7717 18345 1 1 2719 1 7967 6806 5641 6107 12482 10059 1 7588 3428 6848 2373 3596 7872 5113 16282 15782 5013 4346 1 1 1 3971 1 1 5033 1 1 1 12572 1 6686 7462 1 1 1 8357 1 1 1 1 1 1 1 1 25264 23019 1 1 1 1 2896 10555 1 1 9911 10106 188.1117 *188.1152* 188.1152@1.2118319 1 1 6247 1 9896 1 1 1 1 1 11314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4639 1 1 1 1 1 1 1 1 1 3758 4404 1 1 1 1 1 1 5173 1 1 1 1 1 1 1 1 1 1 1 1 1 7984 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 3137 1 1 1 1 1 1 188.1152 *188.1169* 188.1169@1.2270423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3762 1 7262 4262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9358 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 1 1895 1 1 1 188.1169 *188.1243* 188.1243@1.2353191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 188.1243 *188.1269* 188.1269@0.7948068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14078 1 1 1 1 1 1 1 1 34579 1 1 1 1 1 1 1 1 1 1 1 1 1 3889 3830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17982 1 1 1 1 188.1269 *188.1286* 188.1286@1.2178272 1 1 1 1 1 1 14550 21834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19681 1 1 1 1 1 1 1 1 1 5143 4896 1 1 1 1 1 1 1 1 3611 6049 1 1 188.1286 *188.1343* 188.1343@1.9817854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7865 12455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15819 1 1 1 1 1 1 188.1343 *188.1378* C9 H20 N2 S 1 1 1 11406 1 13358 1 1 6917 6833 1 16062 16145 13570 11381 10910 6692 1 17573 19902 1 1 9477 8752 10251 10328 14791 14978 28493 26996 1 1 1 1 8177 8399 1 25986 29199 23505 11604 8543 11029 1 19726 1 19964 19438 10200 12126 25310 22503 6158 4358 1 20890 1 1 25141 25705 7472 6695 6774 7417 6967 6759 1 11177 1 12296 25674 24119 18193 18867 5008 3489 1 1 27501 31430 1 1 21460 1 26280 24465 1 1 9051 10330 188.1378 *188.1382* C6 H16 N6 O 10932 10613 3276 4855 5830 7272 15433 15170 4893 4814 10159 10531 4836 1 7630 6367 7279 11131 15061 13937 4450 5896 7945 8170 4833 5138 5518 5564 18098 17936 7779 8155 12030 13232 4021 4739 10793 10699 12925 13156 11095 7595 6928 4273 14402 9598 11398 14204 26099 29061 12853 12492 9338 8833 7266 5558 13487 14008 1 1 25058 25939 8473 11703 16273 16928 23772 25791 10840 16625 8801 8091 22483 23223 7375 7889 7858 7700 18191 18537 23739 21371 13610 1 19903 17782 9843 10232 14778 14696 188.1382 *188.1388* 188.1388@1.1561927 17623 16700 8362 1 15910 1 6126 1 1 1 13235 1 1 1 1 1 1 6528 1 1 18594 19778 1 1 1 1 1 1 1 1 30831 31897 19997 21420 1 1 22995 1 1 1 1 1 1 10027 1 12015 1 1 1713 1443 1 1 1 1 19065 1 26513 38386 1 1 1 1 1 1 1 1 1 1 12627 1 1 1 1 1 48357 47673 48240 49251 1 1 37772 36015 1 22850 1 1 58464 56580 1 1 188.1388 *188.1391* 188.1391@2.0422914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3772 1 1 1 5271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1391 *188.1629* 188.1629@2.9952729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2992 1 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 1 1 1 2274 188.1629 *188.1631* 188.1631@2.8776197 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 1 10962 1 1 1 1 1 4074 1 1 1 1 6324 10644 7635 1 1 1 1 6596 12621 1 3114 1 2400 1 1 4275 1 1 1 9018 1 1 4278 1 2091 3948 1 1 1 1 1 3893 3451 3498 5581 1 3561 1 1 1 1 1 1 18538 1 1 1 10760 17251 1 1827 1 2770 188.1631 *188.1637* 188.1637@2.924363 2452 2617 1 2592 1 5350 1 1 1 1 1 2364 1 1 11574 1 1 1 18450 9004 1 8626 1 1 5086 1 1 4886 4199 1 1 1 1 3920 1 1 1 1 1 3962 1 1 1 1 1 1 1 1 13674 3900 1 1 1 1 1 1 1 8880 7984 1871 1 1 1 1 1 1 2225 2618 1 2336 5071 8111 1 1 1 1 1 2431 1 1 1 4999 1 1 3367 1 15122 6975 1 2789 188.1637 *188.1638* 188.1638@2.556677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1638 *188.2313* 188.2313@0.81721103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.2313 *188.8574* 188.8574@0.78183174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1 1 4452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.8574 *188.864* 188.864@0.77479297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7497 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.864 *188.8705* 188.8705@0.76701564 1 1 1 1 1 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 1 1 4081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 188.8705 *188.8757* 188.8757@0.77012926 3270 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.8757 *188.8818* 188.8818@0.76675284 1 1 1 1 3293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.8818 *188.8863* 188.8863@0.7871632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.8863 *188.8969* 188.8969@0.76528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6603 1 188.8969 *188.9472* 188.9472@4.0039825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 1 188.9472 *188.9472* 188.9472@0.9774189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9472 *188.9474* 188.9474@6.440848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3233 1 1 1 188.9474 *188.9476* 188.9476@1.1749681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10072 1 1 1 1 1 1 1 1 1 1 1 5870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7855 7465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9369 6748 1 1 188.9476 *188.9476* 188.9476@3.0355766 1 1 1 1 1 1 1 1 1 7732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9476 *188.9479* C4 H3 N3 S3 1 6831 13117 1 1 16910 1 14464 1 15142 1 1 19393 15774 1 21505 1 19455 1 1 1 10212 7967 16791 1 1 21862 1 1 24061 15154 19631 1 1 1 12243 11615 1 23267 1 1 1 1 1 1 1 1 1 17404 1 16584 1 22727 1 6165 1 1 1 20254 13685 18560 7454 9108 18063 22853 28382 1 8632 14445 19576 1 1 16860 13222 1 15613 1 1 1 1 1404 1 1 1 21712 1 1 1 1 21838 188.9479 *188.9479* 188.9479@1.9565914 1 1 1 1 1 1 1 26029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44418 1 1 1 1 1 38012 1 1 1 1 188.9479 *188.9479* 188.9479@3.657736 1 1 1 1 1 1 1 3959 2284 1 1 1 9266 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3144 1 1 1 1584 1 1 1 1 1 1 1 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4314 1 1 1 1 188.9479 *188.9479* 188.9479@3.6357193 1 1 1 1 1 1 1 1 1542 1 1 1 5240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8102 1 1 1 1 188.9479 *188.948* 188.948@2.0343359 1 1 1 1 1 1 1 21838 42810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40504 1 1 1 1 1 1 15896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4662 1 8473 1 1 1 5309 1 1 1 14317 1 1 1 1 1 4284 4254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5083 1 1 1 1 188.948 *188.948* 188.948@3.1324723 1 1 1 1 1 1 1 1 5564 7252 1 1 15943 1 1 1 1 1 6179 1 1 14218 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7940 4074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 1 1 1 1 1 1 188.948 *188.948* 188.948@0.82763237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4727 1 1 1 1 1 7727 1 1 1 1 1 1 2709 1 1 1 1 6948 1 1 1 1 1 1 5801 7984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.948 *188.9481* C6 H4 Cl N S2 24464 16618 1 26435 22975 1 15159 2616 1 18446 25490 14471 2477 1 10559 23007 11621 30998 1679 17371 20853 6274 18176 14495 1 6940 20827 1 18405 1 9400 36228 19045 1 1 11577 1 4336 30624 1 18031 19367 25116 23270 23777 2415 22119 21274 11496 7056 1 1 1 13625 19802 8299 27284 1 1 20227 21899 1 1 20255 24873 1 7344 14977 1 20269 18054 9836 24417 24355 10509 1 1 1 21759 20520 21942 1 1 20845 23253 16553 1 1 7312 13570 188.9481 *188.9481* 188.9481@2.9636962 1 1 1 33042 1 1 1 36208 1 32818 1 1 25334 42630 41975 1 1 38186 10472 1 1 17627 1 23162 1 1 1 1 1 1 3570 1 1 1 1 1 1 23748 15641 1 18446 68388 1 1 1 1 1 1 3392 49148 1 1 67391 4192 1 29553 1 13896 1 1 69279 21866 1 1 1 4739 10311 1 1 1 29153 1 1 1 1 9663 1 1 1 1 1 27962 1 1 1 1 1 1 39189 1 188.9481 *188.9481* C4 H3 N3 S3 - 1.0274762 8172 7294 4320 3186 1 1 1 1 1 1 1 1 1 1 12018 1 1 1 1 1 1 1 16544 1 13441 1 1 1 1 1 8169 5876 4650 1 16164 1 6329 23718 1 6793 1 1 4717 7639 1 1 4163 7229 1 1 1 1 6896 11229 25861 2929 1 1 5728 1 10944 9701 7153 7648 1 3312 6221 6612 9274 1 1 11100 1 22257 1 1 1 1 1 1 9880 22171 3489 4040 4616 3194 3335 1 1 1 188.9481 *188.9482* C4 H3 N3 S3 - 1.221502 7132 5226 17325 11574 27135 5048 15743 4608 1 22339 1 23716 20097 11720 8371 24126 1 1 1 1 1 1 12206 1 12768 14538 1 1 1 13256 17876 10463 1 1 25145 10113 11810 10888 21606 1 17467 19745 30770 7048 1 1 30348 23380 25467 18529 26320 23257 1 8772 23074 19385 1 1 22406 23033 19231 20526 21975 4753 1 1 12720 28706 21497 1 12112 23956 1 27327 1 20836 16660 1 13638 1 17465 12966 1 1 1 14618 8665 11336 12131 9006 188.9482 *188.9482* 188.9482@1.5247266 1 1 1 25761 1 1 1 1 1 1 1 18710 1 1 8530 1 25441 1 7504 1 1 6249 1 15655 1 25700 1 1 1 1 36508 1 1 1 1 9421 1 3851 1 1 1 1 1 1 1 1 1 1 1 26512 1 1 1 28977 1 12865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18161 1 1 12328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9482 *188.9485* 188.9485@3.4051208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.9485 *189.0088* 189.0088@0.87910306 4808 1 3470 1 1 1 1 1 1 1 1 1 1 16813 1 1 20938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21528 1 1 1 1 1 1 3134 5957 25934 1 1 1 1 1 14529 2713 1 32106 1 1 1 1 1 1 1 1 1 1 33864 38708 1 1 64039 43349 1 1 1 1 1 1 1 49166 15468 1 1 1 1 1 1 1 1 1 1 1 13056 1 1 1 189.0088 *189.0093* 189.0093@0.8867881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4216 1 1 1 1 17329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0093 *189.0125* 189.0125@0.86480916 1 10387 1 1 1 1 1 1 1 1 1 1 1 10584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4415 2863 1 1 14752 20229 1 1 1 1 1 1 1 1 1 1 1 4789 1 1 1 1 1 1 1 1 1 4405 1 7534 1 1 27414 1 1 1 1 1 1 1 1 1 1 29363 1 1 1 1 13974 1 1 1 5271 1 1 8658 1 1 1 1 1 1 189.0125 *189.0145* 189.0145@1.0794945 1 1 1 1 1 1 3418 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3902 1 1 1 1 1 1 1 1 1 3371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0145 *189.0415* 189.0415@4.3428984 1 1 1 1 1 1 3145 3704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3425 3339 1 1 1 1 189.0415 *189.0499* 189.0499@3.4706726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2079 1 1 1 1 1 1 1 1 1 1 1 1 1749 2787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0499 *189.0518* 189.0518@3.2400594 1 1 1 1 1 1 1 4699 1 1 1 1 1 1 1395 1 1 1 5041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 2989 1 1169 1 1 1 1 1 1 1 1 1 3315 1 1 1 1 1 1 1 1 1 1 2440 1 1 1 1 1 1 2128 1 7391 1 1 1 1 1 1 189.0518 *189.0522* 189.0522@2.99054 1 1 1 1 1 1 1 7040 1 1 1 1 2597 9623 1 1 1 1 42303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10525 1 16594 1 1 1 1 1 1 1 1 1 1 1 6014 25987 18641 1 1 1 1 1 1 1 1 1 41660 31428 27008 1 1 1 31425 3837 1 32291 1 10300 1 1 6487 1 1 1 1758 1 9805 1 1 1 1 1 1 189.0522 *189.0526* 189.0526@2.7555811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3395 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0526 *189.0536* 189.0536@3.5245104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0536 *189.0584* 189.0584@3.5787735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 189.0584 *189.0716* 189.0716@1.9685674 1 1 1 1 1 1 4185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0716 *189.078* 3-Indolepropionic acid 10212 19338 17514 17536 2460 2414 8849 8240 7626 7879 6827 3510 7388 7205 4818 5200 4567 5262 13069 12437 2825 2915 10580 10190 5329 5278 6459 6981 46997 46662 3011 2972 3364 3548 20504 20019 9126 9384 3446 4240 23504 23757 4797 4962 6796 6629 12536 13767 8011 7837 8322 9228 2598 2551 15343 15156 4909 4863 3772 2497 4636 5089 4683 5019 4125 5549 7046 6309 2537 2463 13619 13095 13217 13100 45966 45128 7954 7581 3947 4276 8748 8972 8716 8805 5156 5181 3216 2331 11778 12110 HMDB02302 189.078 *189.1003* 189.1003@2.447456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5129 5154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1003 *189.1313* 189.1313@0.7666846 9362 9346 1 3683 10124 1 27694 28145 9610 8521 12240 1 6382 6330 7640 5717 8251 7965 19276 21510 11357 11089 7766 6581 16284 16980 5650 8435 6013 8982 1 7750 17428 13524 10474 6019 1 3405 1 5303 2785 2504 5432 7232 19219 11477 1 1 6017 4291 24075 20921 1 1 5892 5741 17104 12668 2049 2005 1 1 1 1 4666 6520 13438 12807 4533 4801 9288 1 3516 4111 1 1 9347 10440 7679 7100 3129 2898 1 1 18020 14838 1 1 22873 23875 189.1313 *189.1335* 189.1335@0.80002743 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1335 *189.1776* 189.1776@0.76726955 4934 1 1 1 1 1 1 1 1 1 1 1 1 3716 1 1 1 1 10623 1 1 1 3944 4785 8148 8254 1 3501 1 4448 4336 1 7357 1 4695 5617 1 1 1 2441 1 1 3456 1 1 1 1 1 1 3942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 1 1 1 4073 1 1 1 1 1 8051 9102 1 1 1 1 189.1776 *189.1832* 189.1832@0.76802564 1 1 1 1 6613 6674 14529 11584 6415 6073 7937 7363 4251 1 3291 3241 4670 4593 1 9659 1 5662 1 1 1 1 4387 1 5195 1 1 5873 1 7929 1 1 1 1 3863 1 1 1 1 1 9628 8609 1 1 2635 1 9830 10092 1 1 3600 1 8683 7115 1 1 1 1 1 1 3765 1 6951 6627 1 1 5167 5585 1 1 1 1 5287 1 1 6495 2481 1 1 1 1 1 1 1 9684 9566 189.1832 *189.2136* 189.2136@0.773066 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.2136 *189.2186* 189.2186@0.7657674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 189.2186 *189.223* 189.223@0.781023 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 3494 1 1 1 1 1 1 1 1 1 1 1 189.223 *189.2273* 189.2273@0.7954552 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.2273 *189.2378* 189.2378@0.7715198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.2378 *189.8544* 189.8544@0.76609904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 189.8544 *189.8799* 189.8799@0.7666782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.8799 *189.8854* 189.8854@0.766 1 1 1 1 1 1 1 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.8854 *189.9488* 189.9488@1.0916436 1 1 1 1 5421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9488 *189.9529* 189.9529@3.0066268 1 2339 5713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6759 2082 1 4910 1 10744 4571 1 1 7821 1 1 12491 12160 3488 1943 1 6911 1 8675 1 1 1 1 1 2453 7040 1 1 1 1 1 1 6309 1 4133 1 1 1 13564 1 1 1 1 3308 1 4171 1 1 1 1 4116 1 1 1 1 14047 1 3199 1 1 1 1 1 1 1 1 1 11326 1 189.9529 *189.9531* 189.9531@2.9823618 1 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8395 1 12797 1 1 6847 1 1 1 1 1 1 1 10277 4288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5076 1 2257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9531 *189.9534* 189.9534@2.9045682 1 6264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4034 1 1 3655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9534 *189.9539* 189.9539@3.2870412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9539 *189.9541* 189.9541@3.6301644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9541 *189.9935* Pyrocatechol sulfate 93768 114648 141929 141010 232301 223742 324957 343785 257577 198745 234790 228087 241496 219335 130532 122498 180461 187559 273630 284502 109839 114689 265513 252373 1 1 1 53148 151478 176449 165050 167046 231622 247160 159181 161701 119065 117048 1 1 644397 397317 88052 81123 171680 181000 311096 314048 229421 200735 1 81890 102525 89616 111675 111240 171792 181540 133629 127838 246518 310180 61019 76584 182453 173559 264600 232863 133577 145747 253560 272451 149532 154802 175557 186605 117399 112811 191702 161172 203141 229697 88254 92124 435177 424923 68740 69459 175511 188257 189.9935 *189.9944* 189.9944@0.76312476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9944 *190.0028* 190.0028@0.86453617 1 1 1 1 7007 1 1 5282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6152 5798 1 1 8145 4305 1 1 1 1 190.0028 *190.0053* 190.0053@0.8283334 1 1 1 1 1 1 1 16610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10431 1 153046 1 11970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10795 1 1 1 1 190.0053 *190.0106* 190.0106@0.84281397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0106 *190.0486* 3-Dehydroquinic acid 9542 3593 15573 1 1 20070 38843 42342 1 1 1 15922 1 4931 9008 8031 17736 1 22683 1 8066 13252 1 24367 1 8942 7284 17528 10014 14204 27197 25859 15652 18317 8384 21350 13294 15982 1 21698 9065 10465 12981 14723 19967 20055 10819 12012 2649 1 32700 27323 7139 15523 3189 12114 1 53907 9261 11877 7309 7483 17629 16903 9817 9007 10483 12110 12661 5224 18781 15216 4754 5895 15205 1 9736 10229 10934 11502 17302 15968 29916 31570 26584 24237 9976 18790 17487 22232 C00944 190.0486 *190.0533* 190.0533@3.0400405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3817 1 5189 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 6056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3338 8279 1 1 1 1 1 1 11247 1 1 1 1 1 1 1 1 1 6689 1 1 2651 6533 1 1 1 6994 1 1 1 1 1 1 1 1 7566 1 3471 1 190.0533 *190.0557* 190.0557@1.9771252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5267 1 1 1 1 1 1 190.0557 *190.0634* 190.0634@1.9710494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 1 1 1 1 1 1 1 1 1 5528 1 1 1 1 1 5946 1 1 190.0634 *190.0641* 7-Ethoxycoumarin 1 1 1 1 1 1 3404 1 14688 13881 1 1 1 1 1 35584 12584 13907 11151 1 9095 8980 1 1 31328 30476 1 9928 1 12803 1 1 1 1 1 1 1 2930 5404 6747 1 1 1 1 1 1 1 12873 2018 19694 1 16785 19533 1 1 17289 1 1 1 4222 16315 15366 14341 1 1 1 1 1 1 1 5086 10172 1 1 1 1 12937 13213 1 1 3918 15878 1 1 1 5836 12347 19812 1 1 C11052 190.0641 *190.0643* 190.0643@1.6493677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4440 3947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7219 5734 11286 11674 1 1 1 1 1 3863 1 1 1 1 7395 6733 1 1 1 1 3502 1 4027 1 1 1 1 1 1 1 1 1 1 1 6152 7547 1 1 1 1 1 1 1 4558 14707 11138 3613 1 8764 7273 14458 13328 1 1 190.0643 *190.069* 190.069@1.121106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 1906 1 1 1 1 190.069 *190.0737* 190.0737@5.233269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5109 5814 1 1 1 1 1 1 4347 4759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0737 *190.0834* 3-Hydroxysuberic acid 1 1 1 1 5479 5104 18848 18074 4370 4611 1 1 1 1 1 3019 11166 11227 5102 5580 1 1 5585 5697 1 1 3766 3887 6024 6052 3552 5025 5209 5423 1 1 8140 7937 5213 5125 5267 4938 1 1 1 1 1 3479 3813 3657 5550 6934 3456 3821 1 1 10880 9438 1 1 3146 3778 6625 6297 7705 6679 7758 8010 1 1 3694 3900 2902 2677 5041 5168 1 1 8326 6763 6246 6607 1 1 11697 11382 5638 4666 1 1 HMDB00325 190.0834 *190.0835* 190.0835@2.3461251 1 1 1 1 1 1 1 6334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 9118 5411 1 1 1 1 5311 3220 18381 18171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10215 9761 1 1 190.0835 *190.0988* 190.0988@1.3005064 1 1 1 1 1 1 1 1 1 1 1 1 7922 7836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0988 *190.1093* 5-Methoxytryptamine 1 1 1 2076 1 4231 6373 6921 4773 4068 3101 2718 1 3682 1 1 2803 2529 1 4083 1 1 4676 4562 1 1 1 1 3975 1 2153 1 3514 3080 2059 1 1 1 1 1 7907 7456 1 1 2091 2304 3690 3261 3244 1984 1 1 1 1 1 1609 1 2233 2308 1 1 1 1 1 2924 3747 4952 4995 1991 1641 4403 4917 2905 1 3355 3087 1 1 1 3396 1 3342 1 1 11239 10459 1 1 1 1 HMDB04095 C05659 190.1093 *190.1271* 190.1271@0.77395785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1271 *190.1524* 190.1524@0.72148323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1524 *190.1567* 190.1567@0.72047734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2746 2741 1 1 1 1 190.1567 *190.1685* 190.1685@0.7647865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1685 *190.1738* 190.1738@0.7671813 1 1 1 1 1 1 1 8479 1 1 4504 3319 1 1 1 1 1 1 4705 1 1 1 1 1 2966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5365 1 1 1 1 1 4126 4537 1 1 1 1 1 4690 1 1 1 1 1 1 1 1 1 1 1 1 2599 1 1 1 1 1 2593 2725 1 1 1 1 1 1 1 1 1 1 5314 1 190.1738 *190.1787* 190.1787@0.77552843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4531 190.1787 *190.2016* 190.2016@0.76475203 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.2016 *190.2221* 190.2221@0.7681606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.2221 *190.2337* 190.2337@0.7577723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.2337 *190.9878* 190.9878@1.1679584 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3992 3962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.9878 *190.997* 190.997@0.7163553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.997 *191.0092* 191.0092@0.8277357 1 1 1 1 1 1 1 1 3907 4557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0092 *191.0136* 191.0136@0.81121856 1 1 1 1 1 15073 1 1 1 1 1 1 1 2972 1 1 1 1 1 1 1 3928 1 1 4202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0136 *191.0182* 191.0182@0.8424852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2435 191.0182 *191.0393* 191.0393@5.832559 2965 2886 2910 2786 2255 2152 1 1 3608 3274 3031 2900 2354 2251 2797 3235 1 1 3238 2703 1 1 1 2453 2316 2509 2263 2470 2578 2265 2269 2512 1 1825 1 1 2085 1 1 1 1867 1 1 1 1 1 1 1 1 1 2016 2023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2599 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0393 *191.0545* 191.0545@1.4748607 1 1 1 1 1 1 3606 3127 1 1 1 1 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0545 *191.0556* 191.0556@1.174789 1 1 1 1 1 1 2672 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 2321 1 1 1 191.0556 *191.059* 5-Hydroxyindoleacetic acid 5253 5409 4730 5230 4206 1 11783 12980 1 4453 5026 4902 1 1 4977 1 4386 1 7270 6647 1 1 3684 1 1 1 1 4018 1 1 4952 5141 8048 7607 5960 5796 1 1 1 1 5882 5625 1 1 6642 7368 1 1 1 1 8358 8482 1 1 1 4634 7215 7674 1 1 4771 1 4975 5884 5167 5682 7027 7231 1 1 1 5461 1 1 1 1 1 1 14618 15480 6953 7004 5626 6011 9609 10271 7912 7094 7794 7761 HMDB00763 C05635 191.059 *191.0823* 191.0823@1.6436348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4079 4342 1 1 1 1 1 1 1 1 1 1 3019 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 9462 8640 1 1 191.0823 *191.1059* 191.1059@1.0796294 5173 3560 2771 2631 1 1 2231 1 2543 2452 1 1 1 1 3077 4336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.1059 *191.9984* 191.9984@0.73758334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6570 1 5375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.9984 *192.0053* C9 H4 O5 5592 1 1 1 1 11410 5008 6157 1 2894 14430 2913 1 1 10006 1 1 1 10585 1 2378 1 12566 1 11915 12052 19476 20579 3158 12057 1 1 3713 3742 1 1 1 12901 16074 1 1 1 1 1 1 9966 1 12888 1 1 10271 12886 1 1 11671 12799 1 1 12358 14002 11928 1 1 1 1 1 1 9688 1 1 1 1 12069 1 1 11153 1 2295 3266 2704 1 2562 1 1 10498 1 13546 1 1 10410 192.0053 *192.0053* 192.0053@0.6561944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11244 11297 1 1 1 1 1 1 1 1 1 1 192.0053 *192.0074* 192.0074@0.8327487 1 1936 1 1 1 3670 1 1 5427 4962 1 1 1 1 1 1 1 1 4363 4437 1 1 1 1 2837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3592 4620 1 1 1 1 1 5128 1 1 1 1 3607 3572 1 1 1 1 1 1 4193 1 1 1 1 1 1 1 4104 4009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4103 192.0074 *192.0114* 192.0114@1.9699726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5897 1 1 1 1 1 1 1 1 1 1 5373 1 1 1 1 1 1 2890 1 1 1 1 6155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0114 *192.0172* 192.0172@1.9666027 1 1 1 1 1 1 1 1 1 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0172 *192.0228* 192.0228@2.0115297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5820 6392 1 1 4225 6722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0228 *192.0232* 192.0232@1.9852839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0232 *192.0462* 192.0462@1.1135213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 1 1 1 1 1 1 3830 3130 1 1 1 1 1 1 1 1 1 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0462 *192.0479* 192.0479@1.115948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7345 1 1 1 1 1 1 1 1 1 1 1 1 3980 1 1 1 1 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 3459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0479 *192.0599* 192.0599@1.966 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0599 *192.0743* 192.0743@1.6020088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12205 12406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0743 *192.0749* 192.0749@1.4020789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46173 45572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0749 *192.0796* 192.0796@1.6448828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3309 1 1 1 1 1 1 1 1 5761 5799 1 1 1 1 5689 8094 23445 18699 1 1 1 1 1 1 1 1 1 1 13481 13530 1 3375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4432 4100 1 1 1 1 1 1 1 1 10207 9432 1 1 12095 6976 41494 41219 1 1 192.0796 *192.1146* 192.1146@1.2794684 1 1 1 1 1 1 1 1 1 1 1 1 237145 229722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1146 *192.1147* 192.1147@1.1134882 1 1 1 1 1 1 1 1 1 1 1 1 149860 157027 1 1 1 1 3707 3756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4836 4681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1147 *192.1495* 192.1495@1.1737219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1495 *192.8232* 192.8232@2.2664502 14903 1 1 1 1 1 1 10637 1 20686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.8232 *192.9582* 192.9582@1.2043952 3240 3077 1 1 1 1 1 1 1 1 4901 4972 1 1 1 1 1 1 1 1 2448 3618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 2795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1640 192.9582 *192.9587* 192.9587@1.4496064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4611 5812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4940 1 192.9587 *192.9587* 192.9587@1.3547449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5709 1 192.9587 *192.959* 192.959@1.300642 1 14433 1 1 1 1 1 1 1 1 9649 11485 1 1 1 1 1 1 1 1 6705 7877 1 1 1 1 1 1 1 1 1 1 1 1 12622 15711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14219 10188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5431 14352 192.959 *193.0271* 193.0271@1.088038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 193.0271 *193.0587* 193.0587@2.4235191 1 1 1 1 1 1 4482 4512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0587 *193.0707* 193.0707@1.1199626 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2600 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0707 *193.0719* 193.0719@2.2110727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0719 *193.9655* 193.9655@1.2156514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4803 5551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.9655 *193.9899* 193.9899@0.85416687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4346 4602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.9899 *193.9971* 193.9971@0.7099608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14423 14818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.9971 *194.006* 194.006@2.9189415 1 1 8106 1 1 1 1 1 1 1 1 1 1 1 1 11016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.006 *194.0062* 194.0062@1.9763639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 1 1 1 2180 1 2395 2605 1 2355 2228 1 1 1 1 1 1 1 1 2366 1 1 1 1 1 1 1 1 2153 2924 2601 3474 2797 2359 2698 3011 1 1 2212 2244 194.0062 *194.0207* 194.0207@0.74510026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7063 5608 1 1 1 1 1 1 5003 4200 1 1 1 1 1 1 3170 3300 4347 4553 10625 10257 6341 6327 1 1 3515 1 1 1 1 1 1 1 1 1 1 1 1 1 17373 16785 1 1 1 1 1 1 11418 11059 1 1 9666 8856 1 1 4052 3685 1 1 1 1 2973 3834 1 1 4965 5624 1 1 1 1 1 1 9068 8366 194.0207 *194.0259* 194.0259@0.7419978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0259 *194.0561* 194.0561@0.74018574 1 1 1 1 1 1 1 1 4026 3230 6618 5560 1 3366 1 1 1 1 3963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 1 1 1 1 1 1 1 4162 4106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0561 *194.0571* 194.0571@0.9102757 1 1 1 1 1 1 3887 3494 1 1 7258 7438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2912 2662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0571 *194.0572* 194.0572@1.436757 1 1 1 1 1 1 17911 18194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5623 5932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0572 *194.0651* 194.0651@1.1690356 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0651 *194.0685* 2-Pyridylacetylglycine 5980 5405 1 1 5689 7133 15272 16162 5660 5234 5347 5568 3328 1 5730 5043 4301 4224 6841 6525 1 1 1 1 3915 3919 3891 3547 1 2843 3576 3470 9034 8943 1 1 4367 4686 4145 1 1 1 1 1 5044 4835 1 1 3349 1 6344 6936 1 1 1 1 6372 5981 1 1 1 1 1 2653 8475 8341 4559 5029 1 1 1 1 4069 3941 1 1 3986 4178 17599 21394 8201 7589 4320 4461 9497 9719 4287 1 8384 8059 194.0685 *194.0932* 194.0932@1.1135484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0932 *194.0935* 194.0935@1.1899694 1 1 1 1 1 1 44734 1 1 1 2331 1 1 1 3039 3342 1 1 2612 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 1 1 1 1 1 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 1 194.0935 *194.0967* C11 H14 O3 4015 3952 3017 2947 10788 11166 29356 31400 2983 3798 3240 2811 1 5478 3686 4522 1 1 1 6800 1 1 4027 4692 1 1 2593 3067 3723 4433 3306 3965 2344 1 5212 4806 1 1 1736 1976 3328 63068 1 1 1937 2154 5896 5668 1 1 2028 2105 1 1 1570 1 5595 5765 1 1 1875 1 1 1 1 1359 4491 4814 2478 2789 4187 2781 1 1 2959 3058 2855 2637 2514 2534 1 1 1 1 1 2625 1996 2579 3114 2993 194.0967 *194.1001* 194.1001@1.1461098 5270 5154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5620 4958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1001 *194.1034* 194.1034@1.1524903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1034 *194.1096* 194.1096@1.201863 1 1 1 1 1 1 1 1 1 1 1 1 2109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1096 *194.1176* 194.1176@1.1580557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3433 3441 12098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1176 *194.1226* 194.1226@1.1341367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 2557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1226 *194.126* 194.126@1.3080201 1 1 1 1 1 1 1 1 1 1 1 1 7501 7809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.126 *194.1261* 194.1261@1.0790703 8030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3673 1 1 12151 1 1 1 1 1 1 1 1 1 8863 1 1 1 1 194.1261 *194.8203* 194.8203@2.2598712 1 1 8160 1 1 1 1 1 1 1 11782 1 1 1 1 1 1 1 1 1 12353 16481 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.8203 *195.0194* 195.0194@1.0563761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4812 5744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0194 *195.0219* 195.0219@1.7039907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5956 6834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0219 *195.0222* 195.0222@1.2881612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50448 47749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30347 30790 1 1 1 1 1 1 51326 50652 1 1 1 1 1 1 1 1 1 1 20360 18057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0222 *195.0236* 195.0236@1.9680535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0236 *195.0353* 195.0353@1.2856698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 3295 1 1 1 1 1 1 1 1 1 1 195.0353 *195.047* 195.047@1.3181955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5672 5397 1 1 1 1 1 1 1 1 1 1 195.047 *195.0517* 195.0517@2.8982327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10738 8114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11728 195.0517 *195.0519* 195.0519@3.2134984 1 1 1 1 11103 10222 6092 5993 7379 6605 1 1 5954 6249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6418 6348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10284 10936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3942 1 195.0519 *195.0519* N-Acetyl-5-aminosalicylic acid - 3.4608338 1 3750 4726 4515 1 1 16104 15238 1 1 1 1 1 1 1 1 4405 4470 4782 3922 1 1 3755 4582 1 1 1 1 1 1 4068 1 7171 8646 1 1 3894 4667 1 1 4470 4011 1 1 4372 3278 7327 1 4235 3555 4916 5301 1 1 1 1 5869 6380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3421 3795 1 3463 14244 15218 1 2464 5483 4069 12170 11713 3944 5036 1 4173 195.0519 *195.0521* 195.0521@2.2457678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4577 1 1 4105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6376 1 1 1 1 1 1 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0521 *195.0522* N-Acetyl-5-aminosalicylic acid 6049638 5958743 8705 6162 49640 53790 651145 662597 1243784 1239476 5311058 5389290 70346 74013 19822 21291 173585 151494 2531115 2425468 1563260 1521248 1233511 1281158 21960 22990 1 1 16577 17718 1 1 10949 9578 6331073 6341632 26675 27806 531197 517752 939915 1007439 24697 24640 1040731 1036576 14746 14283 9349 14850 2989 5790 67907 72803 1 1 1514964 1490703 228601 241541 13857 17113 224678 222984 883032 888414 749422 753406 470869 421291 3828218 3859717 1 3772 34049 41896 814788 826356 14244 15451 62399 63138 1085623 1143151 629062 594123 12234 10740 9426000 9297404 195.0522 *195.0522* N-Acetyl-5-aminosalicylic acid - 3.5709836 6926 1899 1 1 8754 10162 18485 20088 5066 6653 16648 16258 48982 49697 8881 8159 5839 5630 22084 23745 1 1 1 1 1 1 6461 5707 13389 11824 1 1 9918 1 10095 9740 11300 1318 1 1 48231 46323 1 1 45628 49900 4942 13166 13519 13155 1 1 54390 54333 3738 1 31739 32005 6364 8154 52491 52024 1 1 17652 18098 43371 43006 10982 11037 10552 12051 1 4854 5877 6164 6957 8727 1 12626 105327 106919 12909 14009 13491 14225 11370 10729 1 5680 195.0522 *195.0522* N-Acetyl-5-aminosalicylic acid - 3.7375138 8485 7925 1 1 7189 7562 22914 24137 6600 6767 10516 9160 14071 15175 6748 5963 4628 4472 19386 19605 1 1 1 1 5013 5562 4522 1 1 1 4225 1 11340 10826 7802 6809 8624 8811 6444 5963 8295 9946 4224 4475 6702 6508 1 1 7296 7141 9489 9385 4953 4116 1 1 15311 15057 1 1 11731 13302 9049 9405 22157 23392 16948 16574 1 1 10725 9738 1 1 1 4088 6080 5624 6357 7486 26035 24662 14614 14393 8576 8542 5166 4251 11088 11326 195.0522 *195.0522* 195.0522@3.5760546 1 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0522 *195.0522* 195.0522@1.8972855 1 1 1 1 1 1 1 1 1 1 4208 3426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0522 *195.0671* 195.0671@2.8081172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13565 12928 1 1 1 1 195.0671 *195.0724* 195.0724@2.7150142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6051 1 1 1 1 1 195.0724 *195.0888* O-BENZYL-l-SERINE 6785 6895 5125 4882 9154 8989 1 1 1 2129 1 1 5837 4966 1 2396 2776 2583 1 1 1 1 2072 1 13555 12984 1 1 2894 2687 1 1 1 1 1 1 1 1 1 1 2920 2669 1 1 5628 6003 1 1 1 1 1 1 1 1 2543 2874 1 2113 1 1 1 1 1 1 1 1 3492 3238 1 1 58907 57767 1 1 7034 7335 4338 4723 2833 3128 1 1 1 1 1 1 1 1 1 1 195.0888 *195.1088* 195.1088@5.7513742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 2776 1 1 1 1 1 1 2672 2398 2360 1972 2383 2418 1 1 1 1 1 2187 195.1088 *195.1696* 195.1696@2.0949843 1 2974 1 1 1 1 10099 9437 1 1 1 1 1 1 1 1 1 1 1 3213 3491 1 24410 2495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5368 4032 11069 4112 1 1 19311 17092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13560 13497 8485 6454 1 3654 1 1 1 1 1 1 9781 7196 1 1 1 1 18710 19395 7491 5739 1 1 1 1 195.1696 *195.1696* 195.1696@2.1049771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3024 12856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1696 *195.2185* 195.2185@2.0726047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 5705 1 1 5970 5157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4000 3602 1 1 1 1 1 1 1 1 1 1 1 3375 1 1 1 1 5904 6126 1 1 1 1 1 1 195.2185 *195.8518* 195.8518@2.06177 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.8518 *195.8724* 195.8724@2.0480545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 195.8724 *195.8936* 195.8936@2.0521393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.8936 *195.9108* 195.9108@2.0860093 1 6843 1 1 1 1 1 1 1 1 6020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11632 6994 195.9108 *195.9119* 195.9119@1.3042697 10299 7389 16731 15199 13210 15052 10812 13331 15059 13385 9944 12810 15347 16772 18158 17098 14533 15611 12533 13056 19485 15907 1677 10069 9717 12274 12288 15025 11044 9667 11750 10548 10502 5129 8105 9082 10674 9012 8238 8322 8959 10435 9610 1 9058 8420 11955 11565 8384 8332 1 1 12794 12294 10660 10464 1 7974 5798 7206 5265 9041 5832 7285 1 8438 4420 6521 8430 8521 1 1 8645 9276 1 10259 7769 7795 5578 5445 6694 6430 6537 7574 1 5979 6058 6235 6057 6189 195.9119 *195.912* 195.912@6.7544737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4899 3230 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 1 5879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.912 *195.9121* 195.9121@3.6475043 1 1 1 1 1 1 1 1 1 1 1 1 4426 8085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9121 *195.9122* 195.9122@3.7266972 1 1 1 1 1 1 1 4048 2773 1 1 1 4648 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4387 1 1 1 1 1 1 1 1 1 1 195.9122 *195.9122* C4 H4 O S4 - 0.65596205 1 6002 1 1 1 6951 1 1 1 1 6013 1 1 1 6745 8123 1 1 7915 1 1 1 3112 8912 4830 8447 8395 8065 7571 5879 1 8137 1 4382 1 1 1 1 7408 1 1 7417 1 1 5585 5678 7544 7321 1 1 6529 8473 1 1 6775 7361 1 1 7244 4232 3730 1 1 1 7078 2597 5362 6580 1 1 1 1 1 1 1 4093 3625 1 5548 6533 1 1 1 1 6418 1 9511 1 5939 6498 195.9122 *195.9123* 195.9123@5.9597015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5883 4809 1 1 3941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5583 1 4488 1 1 1 1 1 1 1 1 1 1 1 5911 1 195.9123 *195.9124* 195.9124@1.0900333 1 1 1 1 1 6357 1 1 8270 8066 1 2106 1 1 1 1447 1 11637 3770 5242 4295 3928 3399 5703 1 8209 5435 5151 8523 1 1 1 1 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9124 *195.9124* 195.9124@6.5920205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11973 1 1 1 1 1 1 1 1 12277 1 1 7786 1 1 1 7064 1 1 1 1 1 1 1 3154 1 1 9125 4517 1 1 1 4609 1 7812 1 1 1 1 1 1 1 1 1 1 6647 1 1 4411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3048 1 195.9124 *195.9124* 195.9124@3.7810676 1 1 1 1 1 1 1 1 1 1 1 1 6029 4372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9124 *195.9124* 195.9124@6.4359474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9124 *195.9125* C4 H4 O S4 1 1 7704 12251 1 3409 11477 5453 9543 1 1 5032 4001 1620 3009 5364 9472 1 19640 16209 1 4899 1 11240 19683 16300 5871 8005 1 24738 8532 17587 20316 3682 6442 12003 6486 5562 1 11073 5479 16867 1 15404 6242 4339 4268 17036 7166 13896 17513 12291 16513 7763 18001 8475 16220 12446 12036 1 16858 26611 1 11494 6774 23555 14700 18827 18591 13209 7318 22159 19805 9041 13747 1 1 1 1 9677 9399 4167 13674 22191 1 10192 21296 1 16532 16988 195.9125 *195.9125* C4 H4 O S4 - 7.3112526 3878 1 1 4552 1 1 5322 1 1 1 3540 6015 1 6163 1 4817 1 1 5376 6498 1 2285 6038 1 1 6457 1 1 1 6862 7907 1 6991 7919 1 2166 1 6951 1 1 1 1 8943 1 5511 6502 5738 7534 5399 5833 7566 5186 4385 4945 7659 6498 1 11995 6409 8947 8309 1 8873 7543 6504 1 5443 10138 1 10864 4464 1 8343 6144 1 1 10516 10143 1 9586 1 6280 1 9037 1 1 10912 6087 8829 6234 195.9125 *195.9126* C4 H4 O S4 - 6.4925194 7298 8811 7915 2157 7761 2621 5294 4334 3066 1 9891 13246 3720 9367 19381 8121 2665 1 18158 1 8246 2634 3192 5212 1 3114 7366 7806 1 1 4232 1 1 6273 8044 5427 16209 16599 4248 1 14351 1 1 1 15163 5665 13427 5965 10283 24552 6106 4702 11809 3541 1 25637 1 4247 16085 1 9258 5439 1 1 15576 1 4988 7884 1 6849 8016 1 16426 5297 1 1 10543 9410 11813 6274 1 4489 2479 1 1 1 1 11526 2406 1 195.9126 *195.9126* 195.9126@7.524615 1 1 1 1 1 1 1 1 1 1 6072 1 1 1 1 1 1 1 8730 1 1 1 1 1 1 4577 1 1 1 1 1 1 1 9424 1 1 1 7077 1 1 1 1 1 1 1 6072 7798 1 7283 7604 1 1 1 7913 1 4911 1 1 1 1 8306 1 1 1 1 1 6571 1 1 1 11855 1 1 1 1 1 1 1 1 1 1 10422 1 11454 1 1 1 1 9420 10594 195.9126 *195.9126* 195.9126@6.6792145 1 1 1 1 1 3087 1 1 3298 1 1 1 10830 8070 1 4149 1 1 1 1 1 7550 1 3310 1 1 1 1 1 1 8636 1 1 2756 1 1 9000 2260 1 1 1 1 1 1 1 6451 3179 12890 8470 3077 1 1 6872 4849 1 4671 1 1 1 1 1 6809 1 1 1 1 9066 1 1 6695 2729 1 1 1 1 1 1 1 1 1 1 12553 1 1 1 1 1 1 6201 1 195.9126 *195.9127* C4 H4 O S4 - 6.764429 5450 4851 1 5916 1 3577 5193 3024 7654 8491 6825 7509 4793 4434 6243 8229 1 5973 9511 5851 1 9641 10091 6201 1 6130 15959 1 6998 1 3091 10003 6959 5395 5023 5119 8662 3666 11231 1 1 8217 9504 1 15717 10711 6210 11342 9346 2921 16205 10930 4011 6833 1 8934 1 6650 6063 1 7168 4574 1 1 7660 1 3254 6694 1 4340 8606 6322 6044 16266 1 1 1 1 9543 1 6952 8150 1 8672 8011 8326 7895 7317 5561 2922 195.9127 *195.9127* 195.9127@1.1586256 1 1 1 1 1 1 1 1 1 1 5502 4940 1 1 1 1 10660 1 1578 2205 1 1 2870 1 7605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9127 *195.9128* 195.9128@6.450893 1 1 1 1 1 1 1 1 1 1 1 1 8446 1 1 1 1 1 1 1 1 6807 1 1 1 1 1 1 1 1 8454 1 1 8417 1 1 1 3657 1 1 1 1 1 1 1 4846 1 1 7412 11481 1 1 1 3856 1 3726 1 1 1 1 1 1 1 1 1 1 2283 1 1 3424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9128 *195.9136* 195.9136@5.8999534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9136 *195.9351* 195.9351@2.0692863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3227 195.9351 *195.9738* 195.9738@0.735539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9738 *195.9957* 195.9957@0.8729106 1 1 1 1 2790 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 2501 2470 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 2666 2978 1 2723 2743 2379 1937 1 1715 2360 2204 1 2504 2701 2802 2489 2595 2601 1 2558 2814 1 1 2610 2365 1 1 5620 1 1 1 2836 2640 2677 1 1 1 1 2160 195.9957 *195.9966* 195.9966@0.9668211 1489 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1 1929 1726 1 1 1 1 1 2250 2096 2008 1 1 2030 2046 2673 1 1 1 1 1733 1749 1790 1 1 1 1 1 2209 2202 1 2189 1 1 1 1 1 1 1 1 2003 2202 1786 1863 1 1 1 1 1 1 1 2121 2098 1 1 1 1 1 1 1 1965 1 2228 1 1 1621 1 195.9966 *196.0006* 196.0006@0.71558625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0006 *196.0033* 196.0033@1.1364448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4579 5714 1 1 1 1 1 1 15955 15836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16906 15829 1 1 1 1 1 1 2727 3646 4603 4501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0033 *196.0037* 196.0037@0.9684656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0037 *196.0558* 196.0558@2.1913037 1 1 1 1 1 1 1 1 1 1 16467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0558 *196.0578* 196.0578@2.040574 1 1 1 1 18322 1 1 1 1 1 1 1 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5732 1 1 6199 1 1 1 1 1 1 1 10332 1 1 1 1 8149 1 1 1 1 1 1 15358 1 1 1 1 88649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0578 *196.0588* Gulonic acid 12945 1 1 1 87150 110953 101105 123255 14583 16976 39381 28233 21383 20611 35384 32815 1 6551 45813 45371 3634 3777 74348 62560 4223 13077 30246 31534 44297 39596 49433 46923 146056 135349 9700 11617 76467 86489 10852 14265 58646 61479 33494 39471 34436 24404 95965 103669 20953 20853 71014 66334 44007 33283 6901 7175 18672 19831 38704 37047 8093 7782 1 1 55921 42946 162090 152019 22756 30083 101315 105973 10722 9886 33741 30731 1 1 1 5337 111197 120408 9421 9377 337502 344576 40616 36009 13752 17487 HMDB03290 C00800 196.0588 *196.059* 1,3-Dimethyluric acid 11168 1 1 1 78177 77404 62202 54061 29851 30118 53391 40073 25033 23633 35129 34632 1 11322 47645 42858 1 1 111222 109769 6637 7021 29590 29032 42173 40351 36593 37722 117006 124822 26616 25802 65669 76587 20440 16209 70794 70275 30456 31517 34844 41424 77129 73118 16058 16391 44050 44100 34734 34533 1 1 20153 22062 34072 31364 1 5878 1 1 44759 38049 126633 128329 23483 22002 116410 115632 7432 7563 23580 21634 1 1 1 1 92557 87994 1 12168 240297 227170 37857 45070 8892 14360 HMDB01857 196.059 *196.063* 196.063@2.8151205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4548 5057 1 1 1 1 196.063 *196.0633* 196.0633@2.7175672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73763 54383 1 1 1 1 196.0633 *196.0859* 196.0859@1.1471952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0859 *196.0878* 196.0878@1.1445398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0878 *196.0938* 196.0938@1.1490685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15601 15408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0938 *196.1092* 196.1092@1.2641422 1 1 1 1 1 1 1 1 1 1 19202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12393 1 1 1 1 1 1 1 14747 13376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16322 1 1 1 1 6736 1 196.1092 *196.1093* Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- - 1.2709796 38126 40927 1 1 1 1 7016 6244 1 1 6235 27376 5703 5959 1 1 8196 5490 82675 84206 17729 20154 80230 82724 5118 4328 1 1 31500 32012 5355 5444 35379 37451 1 1 1 1 1 1 1 1 1 1 48767 52093 28640 29999 2769 15932 1 1 1 1 4396 1 2558 3467 9011 12066 1 1 1 1 6579 5674 5625 6667 1 1 28702 26688 3488 3945 1 1 3995 3661 31315 29520 15643 14499 20319 4212 8642 9851 1 1 2572 8140 196.1093 *196.1095* Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- 285510 289766 20593 20562 15334 14441 46595 44166 12005 1 195949 194893 46403 44514 5196 4885 46271 45630 495466 500117 139702 139561 372485 374992 33811 32581 1 4498 176794 178356 38617 39643 221584 216668 1 1 1 1 18549 1 11009 11850 13672 13939 297205 297149 175847 176906 90312 89479 15504 16799 16283 16832 26688 26611 100516 104507 69327 68737 1 1 20718 19856 27449 28375 39986 39785 7296 7269 186250 186441 27433 28060 24289 22372 28834 27237 200198 207549 83067 81913 129285 130717 57615 58527 8388 8444 70041 68344 196.1095 *196.1141* 196.1141@1.1507782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1141 *196.1242* 196.1242@1.0860951 1 1 1 3275 1 1 1 1 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1242 *196.1296* 196.1296@1.0799925 1 1 4361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1296 *196.1351* 196.1351@1.0759522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1351 *196.1437* 196.1437@1.0773671 7770 7862 1 1 1 1 1 2441 1 1 4179 3995 4830 4630 1 1 1 1 1 1 1 1 5211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 1 3577 1 1 1 1 3144 1 1 7554 3898 3103 3493 1 1 1 4294 1 1 5742 5782 4453 6443 1 1 1 1 1 1 1 1 6735 1 1 1 1 1 3788 3829 196.1437 *196.1453* 4-dodecynoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4201 3786 3100 5818 6013 17725 17559 1 1 4231 4767 5635 5720 6359 4950 11809 3923 2281 2475 4497 4947 30382 7975 5267 5514 6392 6003 3499 1 3733 3201 18271 4829 2696 2664 14284 12996 1 3963 7599 7232 3477 1 5227 5305 4047 1 1 1 1 1 4040 1 3580 3835 1 1 1650 1 6409 7877 5509 4956 5134 5718 9593 102155 1 5358 8891 8626 6503 21072 1 1 196.1453 *196.1459* 196.1459@1.0436084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 196.1459 *196.1739* 196.1739@2.0612326 12993 7387 1 1 1 1 1 1 1 1 1 7771 1 1 1 1 1 1 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3722 7103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3371 1 1 1 1 1 1 1 1 1 1 1 1 3562 1975 1 1 16952 19976 196.1739 *196.1744* 196.1744@2.1485558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 2462 196.1744 *196.2183* 196.2183@2.0737596 4472 4872 1 1 1 1 1 1 1 1 2547 4950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10062 7866 196.2183 *196.2222* 196.2222@2.0616047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.2222 *196.2266* 196.2266@1.1488404 1 1 1 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 1584 5905 6876 1 1 1 1 2605 2229 1 1 3041 2733 1 1 1 1 1 1 1 1 1 1 5619 5184 2061 2482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1885 2623 1 1 1 1 1 1 1 3177 1 1 1 1 1 1 1 1 1 1 196.2266 *196.2323* 196.2323@2.0908363 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.2323 *196.8172* 196.8172@1.1005187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.8172 *196.8174* 196.8174@2.0842695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13090 1 1 1 1 1 1 1 1 1 1 1 1 68806 77751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57480 58689 1 1 1 1 60761 1 1 58771 1 1 1 1 71899 70565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93742 81553 196.8174 *196.8175* 196.8175@1.2144731 203092 185124 134106 119988 125073 129582 118134 113979 123748 104285 102485 1 104489 101846 91558 86758 94563 89020 93772 90879 1 85279 78418 77547 1 76081 1 1 1 63191 217884 217090 211938 238582 190495 170407 227081 230004 208590 205310 186110 178945 152581 154815 192094 202848 177865 201149 200872 209048 180783 201988 173311 204353 177118 171430 222481 225774 187121 183208 205875 218249 139938 139612 229446 225360 206568 202686 235241 232303 213652 219231 214025 212347 181583 181470 230246 207831 216337 215969 220818 206577 229547 231181 234065 235404 206222 204385 228094 209611 196.8175 *196.9126* 196.9126@0.92366874 1 1 1 1 1 1 1 1 1 1 2861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2111 1 1 5252 1 1 3931 1 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4435 1 1 5163 5649 3388 3595 1 3444 7020 8325 5650 5423 3386 3693 4826 5175 6734 6871 6637 6254 7312 7307 4589 4108 3750 1 1 3161 196.9126 *196.9182* 196.9182@1.110162 1 1 1 1 1 1 1 1 1 1 1 2079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.9182 *197.0172* 197.0172@0.9937182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3947 3258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 197.0172 *197.0297* 197.0297@5.8372636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3829 4223 1 1 2616 2689 2176 2489 1 2315 2135 2469 2399 2222 1787 1 1 1 1 1 1 1 2392 1 1 1 1 1 2297 2207 2117 2698 197.0297 *197.0354* C5 H12 Cl N3 O S 6691 6907 5063 4717 7106 6705 15760 15630 5886 5529 5677 5472 1 1 2899 1 4831 5441 12124 12806 3606 4260 5820 4977 3719 3572 4210 4376 5033 4817 5904 5343 11065 11012 1 1 9782 14062 6658 4686 4585 4570 1 3576 4680 5144 1 3890 3859 3728 8342 8534 1 3631 4195 3774 10428 6991 1 1 4090 4448 1 1 5712 5510 5257 5075 3186 1 1 1 1 1 1 4341 3939 4133 10974 11675 6134 6443 5539 5529 1 1 4565 4336 4571 4399 197.0354 *197.049* 197.049@2.8366323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6214 7044 1 1 1 1 197.049 *197.0501* 197.0501@0.81323785 3980 4839 1 1 1 1 8610 10873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6035 7318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14721 14315 1 1 1 1 1 1 1 1 1 1 1 1 4423 4351 1 1 1 1 12581 11585 1 1 197.0501 *197.054* C5 H11 N O7 16321 16529 1 1 17484 16849 34237 30777 8778 8482 27967 25572 16031 16090 16174 16931 1 1 14803 14278 2208 1 31559 30971 1 1 14537 14655 9626 15016 9701 11704 17929 19733 12680 13318 9566 7845 9073 8498 36945 34108 16044 20232 8555 10601 17557 17616 7399 7569 16073 15972 12832 14353 1 1 14668 15743 6902 6554 2680 2542 1 1 6953 7780 33912 32993 13835 13713 33349 31062 3755 4653 4784 4880 1 1 5514 7043 35964 34681 5859 6908 70766 66292 9876 10555 9283 10991 197.054 *197.0541* 197.0541@1.3814502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0541 *197.0545* 197.0545@1.8966694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 3033 1 1 1 1 1 1 1 1 1 1 197.0545 *197.0546* 197.0546@1.9732335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6522 6167 1 1 1 1 1 1 1 1 1 1 197.0546 *197.0603* 197.0603@1.9070082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4355 1 1 1 197.0603 *197.0619* 197.0619@2.1594527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5513 3651 1 1 1858 3839 1 1 1 1 1 1 1 1 1 1 1 15567 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0619 *197.0634* 197.0634@2.801081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9300 1 1 1 1 1 197.0634 *197.0671* 197.0671@2.1846669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9251 9400 4708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5123 3573 1 1 6040 1 1 1 1 1 1 1 1 1 1 1 4737 6324 1 1 1 1 1 1 1 1 1 1 1 1 1 8804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0671 *197.0705* 197.0705@2.7120624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21041 22520 1 1 1 1 197.0705 *197.071* 197.071@2.1893146 1 1 1 1 1 1 1 1 1 1 1 1 4397 4742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5631 5473 8463 7791 1 1 1 1 17034 18529 1 1 3779 4306 1 5017 5224 5020 7099 7783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4680 4709 1 1 197.071 *197.9538* C3 H4 Cl2 N4 S 7804 7575 6787 6997 7428 8333 6955 7739 7223 7533 7642 7895 7647 7479 7922 7372 7286 7367 9038 7559 7200 7868 6823 8076 8709 9004 7631 7633 7811 7203 7857 7370 7974 8241 7993 8396 7553 6918 7804 8214 8589 7690 6880 7394 7604 7577 6525 7792 7694 7306 8019 7487 7788 9132 7141 7383 8268 7766 7354 7857 8176 7836 8244 9023 7608 7418 8545 7901 7874 7519 9459 10106 7396 7092 8022 7424 7075 7447 8043 8637 8170 8201 8001 8680 8648 8440 9281 8968 7481 7654 197.9538 *198.0144* 198.0144@3.2795231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5316 4345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5903 5191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0144 *198.0285* C7 H6 N2 O5 3742 3948 4158 4418 3106 3482 4844 4432 3534 3634 3978 3896 3532 3927 3475 3838 3432 3554 4319 3833 3732 3402 3734 4011 3165 3499 1 1 3167 3058 3740 3602 4147 4089 2858 2938 3891 3985 3619 3788 3937 3553 3497 4120 4080 4482 3695 4367 4035 3004 3818 4402 4167 3815 4295 3703 3529 3663 3486 3217 2250 3779 4313 2768 5956 5814 2286 4081 3343 3880 4000 3900 3692 3823 4722 4259 3340 3761 2980 3592 4097 4214 4624 3803 2454 2154 3525 3157 3661 4208 198.0285 *198.0336* 198.0336@1.4631234 1 1 1 1 1 1 4325 4445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3428 3257 1 1 1 1 1 1 1 2418 1 1 1 1 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3143 1 1 1 4806 4496 1 1 1 2663 198.0336 *198.0372* 198.0372@1.2792902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 3195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0372 *198.0379* 198.0379@1.2982334 2763 5334 1 1 5996 1 1 1 1 1 4924 1 1 1 2815 3037 1 1 9994 6714 1 1 4285 5213 1 1 1 1 1 1 1 1 1 1 5637 8558 1 1 1 1 3602 8129 1978 4188 1 1 1 4857 1 1 1 1 3952 1 4821 2790 4499 1 1 1 1 1 1 1 1 5874 7175 5115 8811 5142 1 1 4353 1 3651 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 198.0379 *198.0451* 198.0451@1.3304251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0451 *198.0482* 198.0482@0.8030664 1 1 1 1 1 1 3962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0482 *198.0584* 198.0584@1.0818679 4270 3446 1 1 5150 4490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3211 4261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3790 1 1 1 1 3173 1 1 1 1 4660 3724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3893 4279 3986 3867 1 1 198.0584 *198.0594* 198.0594@1.0820298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2975 1 1 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0594 *198.0606* 198.0606@1.3633398 1 1 1 1 1 2004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0606 *198.0656* 198.0656@1.3546689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0656 *198.0661* 198.0661@1.0747603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 3649 1 1 4337 4137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4513 5570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0661 *198.0741* 198.0741@1.9934808 1 1 1 1 1 1 1 11312 1 15207 19043 1 1 12800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16299 23716 1 1 8128 4944 1 1 1 11704 2969 1 1 39075 1 4841 1 5734 1 1 10466 1 7621 1 1 1 1 1 1 1 3997 1 1 1 1 1 1 1 6637 14123 1 1 1 44342 1 1 1 1 1 1 1 1 1 8586 1 1 29465 22964 1 1 2943 4184 198.0741 *198.0743* 198.0743@2.0692897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0743 *198.0744* C7 H10 N4 O3 3696 3334 1 1 23472 22796 4316 4919 9887 7384 28278 29278 1 3356 3656 4110 1 1 8528 1866 1 1 4847 4879 1 1 1 1 1 1 13042 13072 21387 23157 20316 21603 17751 19058 2732 1 6356 6654 3380 3180 17437 17031 24288 24787 1 1 5552 5234 3224 3396 1 1 1 1 9773 11333 1 1 1 1 9321 9077 32754 31934 1 1 9961 10530 1 1 5153 5039 1 1 1 1 7369 8075 6331 7257 19171 19497 21324 21215 9757 9744 198.0744 *198.0745* 198.0745@2.0728998 1 24771 1 1 1 129176 1 99071 1 1 56579 1 1 14999 1 1 1 1 1 1 1 1 25231 1 1 1 1 28933 33701 1 1 1 60112 75533 20079 1 1 1 4658 1 34824 1 32737 51666 1 1 1 1 5933 1 24586 20514 1 1 46786 1 1 1 1 1 1 1 1 1 1 1 95703 37335 46653 1 39282 1 1 1 23039 23432 1 1 33844 1 1 83822 21447 25708 72637 129328 1 1 34932 36469 198.0745 *198.0745* C7 H10 N4 O3 - 2.963835 88933 87096 1 1 255054 256555 261411 258404 187678 186938 383437 384427 124878 117185 140742 128103 5458 6095 228720 229717 17377 16488 178945 175228 22677 22897 130682 130311 92049 93923 196410 202349 257300 262873 197321 198235 165498 166244 57362 57147 220048 216933 109056 109526 217633 214124 264335 263058 64227 61593 151833 148329 102794 101915 5101 5484 135189 136760 116002 116804 6996 6895 1 1 56347 50284 532621 524428 120217 120040 295010 288087 27597 26167 76992 77015 4270 1 45796 48501 172191 168375 93038 92625 511344 509957 230517 225435 100545 104465 198.0745 *198.0748* C7 H10 N4 O3 - 2.1776412 242126 1 1 16913 297960 162653 382418 230466 1 129043 141506 1 1 12472 1 1 122098 1 1 563321 81779 1 60649 1 131608 128748 1 69818 11684 1 1 1 167239 190594 72535 1 120045 123026 50553 1 162842 174464 16715 54468 1 1 1 1 6529 1 1 1 164640 158424 127428 154374 1 1 1 1 1 1 15955 25283 1 1 113652 101423 23330 183257 216509 75629 1 1 1 68907 1 1 81522 118086 321074 220890 37846 69084 110177 107683 1 1 46613 51097 198.0748 *198.0757* 198.0757@1.6610708 1 1 1 1 1 1 1 1 1 3173 1 1 1 1 1 1 1 1 1 6867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0757 *198.076* 198.076@2.711062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16235 9905 1 1 1 1 198.076 *198.0768* 198.0768@1.348078 1 4745 1 1 1 1 1 1 1 1 1 1 1 1 4174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9944 1 1 2917 1 198.0768 *198.0843* 198.0843@1.3299407 6923 1 1 1 1 1 4561 3778 3952 1 6783 1 1 1 1 7853 1 1 1 5763 1 1 1 1 1 1 4175 3525 1 1 1 1 1 1 3766 3350 1 1 1 1 1 1 6694 1 1 5590 1 1 4470 4621 1 1 1 1 2907 1 1 7915 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 3683 4259 1 1 1 1 1 1 15382 11191 1 1 12450 1 1 1 1 1 198.0843 *198.0874* 198.0874@1.314403 1 1 5203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11806 1 1 1 1 1 1 1 1 1 1 6880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6369 1 1 1 1 3803 1 1 1 1 1 8624 1 1 1 1 1 1 1 1 1 1 24460 1 1 1 7506 1 1 1 1 1 1 1 1 1 1 198.0874 *198.0883* 5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid 14268 16623 25901 29978 20400 20286 77702 78256 29474 33105 25408 31602 6496 6906 26521 22327 5746 4115 7168 1 11783 24000 23391 26602 20411 21196 30771 30905 27071 26776 123366 121130 44621 47323 1 1 57256 57439 110885 113503 15455 17021 1 6132 32074 27790 34162 33504 17569 15808 77940 75052 14900 10322 13303 18206 21772 14382 55148 53716 17154 18075 44201 44012 20845 20517 7763 9231 1 1 35546 37162 9533 9521 36801 9833 31869 34419 41597 35191 42105 43642 18652 19279 100862 108397 202751 201101 13491 15833 198.0883 *198.0924* 198.0924@1.1677684 1 1 1 1 1 1 1 3220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 4171 1 1 1 1 198.0924 *198.1561* 198.1561@1.141235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7530 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 1 1 198.1561 *198.1604* 198.1604@1.1408644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11752 31919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1604 *198.1605* 9-lauroleic acid 12507 11514 8515 8448 8593 8458 7661 8543 8129 8978 6551 6653 10854 9908 10537 8885 10692 10389 11768 11066 9832 10153 10671 10513 11138 10882 10111 13345 16023 15010 12780 13693 8553 9160 9030 9745 14994 38903 10687 81220 14957 17433 10730 10874 9852 10114 9089 9616 6146 5698 7936 12775 8795 8852 12696 11636 8952 8948 8698 9304 7270 7877 11967 11404 11228 10803 9768 9668 11336 10973 14530 12504 9616 10337 11701 10936 11806 1 11699 8698 20115 19733 9501 12301 9503 10345 68155 15340 8975 8518 198.1605 *198.1903* 198.1903@2.9615047 1 1 1 1 1 1 1 1 1 1 4107 4049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4353 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 6333 7100 1 1 1 1 198.1903 *198.1906* 198.1906@2.9955041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1906 *198.194* 198.194@2.1707401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10165 1 1 1 1 1 1 17252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16691 1 1 1 1 1 1 1 1 198.194 *198.8143* 198.8143@1.1476152 1 29633 1 1 1 1 1 1 1 1 1 60066 1 1 1 1 1 1 1 1 52774 1 1 1 48051 1 48507 49017 50626 1 1 1 1 1 43963 1 1 1 1 1 1 1 54626 1 30562 1 1 1 1 1 1 1 1 1 1 61201 36316 1 1 34922 1 1 1 1 1 1 1 1 26303 1 1 1 1 1 1 46593 1 1 40748 41085 1 1 1 1 1 1 1 1 1 41696 198.8143 *198.9159* 198.9159@1.111419 1 1 1 1 1 1 1 1 1 1 1857 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1832 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.9159 *198.965* 198.965@2.0967479 1 1 6476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 5354 7346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.965 *199.0284* 199.0284@2.8618476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7606 7724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4649 4893 1 1 1 1 1 1 1 1 9590 8921 1 1 1 4601 4514 1 1 1 199.0284 *199.0773* 199.0773@2.108924 1 8230 1 1 1 1 1 17042 1 1 1 6514 1 1 1 1 1 6832 17868 25634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24418 1 1 1 1 1 1 1 1 2773 1 1 1 1 3537 1 11995 1 1 199.0773 *199.0773* 199.0773@2.2115104 1 11324 1 1 1 1 1 11624 1 1 1 1 1 1 1 1 1 3079 22913 24005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2537 1 16955 4040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11627 5076 8652 1 1 199.0773 *199.0812* C5 H9 N7 O2 - 5.817349 6521 6317 4372 4566 4940 5248 6170 5717 8053 7747 12604 5760 5188 5019 8186 7907 5605 5808 8903 8464 7568 7651 6981 8659 12802 12216 8615 8240 11218 11158 7966 8632 7488 8237 9336 9562 12139 12177 6202 6907 9737 10720 13174 13372 8436 7787 10168 11278 11620 10668 10974 11950 11352 11687 12230 12281 12680 12107 9991 10485 15977 16275 7350 9157 13707 12985 13932 18551 12542 13004 13745 12709 12394 12241 13213 16912 16906 15995 13265 13567 13375 13430 17097 18618 12802 11907 9967 9564 10836 10222 199.0812 *199.0813* C5 H9 N7 O2 12667 13460 10692 10587 10036 9759 10656 11163 14860 15907 5495 12328 11147 11111 14002 13750 10109 10386 17316 17432 12995 12813 11400 11432 18811 20391 15555 15368 17555 16561 12772 13499 14732 14431 14798 15834 17944 17954 12724 12848 15314 14875 21210 22395 15652 16264 18721 18571 19197 17877 16616 15658 18621 18080 17936 18007 22848 24016 20094 20069 26582 26310 14706 14264 20555 20653 23851 20099 22514 21367 25779 27225 18169 18625 23202 20381 26089 27642 23409 24341 21872 22176 30522 31168 23433 23239 17625 18330 20688 21299 199.0813 *199.109* 199.109@2.9130502 1 1 1 1 1 1 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4279 1 1 1 1 1 199.109 *199.1162* 199.1162@2.9225137 1 1 1 1 1 1 1 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 2713 2482 3203 3254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2777 1 1 2669 1 199.1162 *199.961* 199.961@2.492353 1 1 1 3602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.961 *199.9611* C7 H4 O3 S2 1 8131 12116 1 20050 13720 1 21099 22896 1 1 1 17129 21674 1 1 1 1 8727 9636 1 1 14277 18844 1 5514 17945 25836 23346 17212 3511 23843 5168 21778 1 1 8808 16037 14452 7811 14189 12991 28637 22445 1 14213 25263 14866 15092 14046 20612 19413 1 24281 15977 17114 1 1 15734 24156 24033 1 8435 1 14694 1 19114 18438 13333 5191 3513 1 20451 18965 18726 1 11221 6816 1 12001 13978 10598 1 1 14041 1 9777 1 1 1 199.9611 *199.9612* 199.9612@2.26955 1 5276 1 1 1 5280 1 2794 1 1 1 1 1 1 1 6955 1 1 2207 1 1 1 1 1 1 10489 1 1 1 1 20907 1 15180 1 1 5800 9342 1 1 1 1 1 3057 1 4553 1 1 1 1 2834 1 1 6542 9053 1 4475 1 1 1 6384 1 4667 1 1 6159 1 1 7238 1 16786 10652 1 1 1 1 1 1 16246 1 1 1 3926 1 1 1 1 1 1 1 1 199.9612 *199.962* 199.962@2.0839205 1 9105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5446 1 1 4229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.962 *200.0002* C5 H12 O2 S3 40626 42981 1 1 44011 31864 94451 92804 20420 20588 17909 25097 61039 54430 1 1 28103 27850 1 1 37524 29797 28772 29841 19667 32584 34266 35842 1 1 35033 38980 1 1 32070 37927 1 1 36492 1 1 1 20301 1 1 1 47938 45645 38843 38775 24552 20169 1 1 40045 35237 27340 35793 19932 2111 1 1 31088 31083 41692 40321 34637 26288 35326 1 28421 18053 1 1 27925 20583 21756 32331 35917 1 39830 38187 1 1 15411 19835 71841 91083 26007 30263 200.0002 *200.001* 200.001@0.76408017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19949 1 1 1 200.001 *200.0088* 200.0088@0.7671281 10748 1 65332 69156 1 10582 1 1 1 1 16982 1 8931 19448 43021 1 1 20316 1 1 1 1 1 1 1 1 1 1 29934 51977 1 1 1 1 5822 1 1 1 1 1 26957 23326 1 1 52162 1 1 1 1 1 12405 9786 60171 1 1 1 4466 1 1 20162 1 1 1 1 1 1 1 1 1 43655 1 1 1 44734 1 10143 1 1 1 42875 1 1 34959 29194 1 1 1 1 24321 18934 200.0088 *200.0113* C4 H12 N2 O S3 1 8391 15308 13845 1 1 81906 79655 28722 29082 1 6473 1 1 35041 75578 6063 1 143513 146505 6001 10496 1 1 1 1 1 1 45926 23645 1 1 155282 150452 1 1 149069 150596 1 1 9800 17482 25542 26390 16750 65754 38803 41304 1 1 1 7125 32170 90563 9042 9802 1 1 1 1 125745 126645 1 1 1 1 25039 35683 8241 1 3509 11219 57895 13873 1 1 16199 8853 21587 14447 1 1 7028 6893 22625 20735 1 1 1 1 200.0113 *200.0263* 200.0263@1.2081722 1774 1 1 1 1 1 2439 3076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0263 *200.0287* 200.0287@3.2821026 1 1 1 1 1 3906 1 1 1 1 1 1 1 1 2024 1 1 1 5289 4552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3153 1 1 1 1 1 4637 1690 1 1 1 1 1 1 1 2957 1 1 1 1 5822 3775 1 1 1 1 1 1 1 1 3323 1 1 1 1 1 6338 1 1 1 1 1 200.0287 *200.0289* C4 H12 N2 O3 S2 6832 4379 6606 7933 9155 4488 1 1 1 1 1 1 4393 1 6244 7340 1 1 3971 4368 9506 10358 1 1 8233 8324 5210 1 1 6322 1 5367 8345 8484 8498 8513 10477 9581 12123 12575 7002 7149 9322 9292 8930 8799 10147 10379 6633 9161 4388 7738 7961 7741 4188 7422 5539 1 10230 9078 1 1 10048 6944 9865 4086 6598 7334 4927 7047 11819 11019 2105 4177 1 6892 8768 7448 4178 7131 6895 6162 5935 5907 4868 11072 10389 11415 7203 6926 200.0289 *200.0448* C6 H13 Cl O5 95768 158231 147970 45818 163378 188653 205742 121071 225550 228685 161685 106942 202548 190449 279210 282628 136825 164787 244349 261888 88567 191635 210137 206353 235228 212631 69651 186378 240005 269193 236842 229361 76760 43437 112968 71532 329328 295804 263721 252626 341688 330693 136155 44983 113623 148987 147050 294335 234312 254623 257691 189284 236194 262917 254836 221272 351869 360784 226738 245350 342923 374239 288127 139133 104484 103031 230121 105945 364774 322457 188650 200230 129194 124444 285155 283867 307208 81509 325308 331330 252531 292612 174286 71883 261271 153810 135061 217824 195549 209442 200.0448 *200.0457* 200.0457@2.0802112 1 1 1 101331 1 1 1 1 1 1 1 1 1 1 1 1 25443 1 1 1 30821 1 1 1 1 45223 113902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23747 1 30779 1 1 1 41710 1 31336 1 1 32129 1 1 1 1 30603 1 1 34710 1 1 1 24864 1 36369 1 1 1 1 1 1 1 117137 1 1 27437 1 1 113525 1 1 1 1 1 1 200.0457 *200.0543* 200.0543@2.0948277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0543 *200.0616* 200.0616@2.1494257 1 1 1 1 1 1 1 1 1 1 1 1 1 9010 1 1 1 1 1 1 1 8694 3862 1 1 1 1 1 1 1 11764 12114 1 1 1 1 10455 1 1 1 7429 1 1 1 1 8608 1 1 7363 3045 1 1 1 10137 6981 1 1 1 1 1 1 1 1 1 1 1 1 1 6597 1 1 1 1 1 1 1 6345 3185 1 1 1 1 1 1 1 1 1 1 1 1 200.0616 *200.0655* C5 H8 N6 O3 1 1 7405 5841 1 1 1 9118 4708 1 1 1 6925 6527 4844 1 1 1 8837 12730 1 4060 9114 14556 1 2804 1 8424 1 5418 5672 6813 1 1 17292 19352 1 7131 1 11022 11415 1 11174 1 5711 3765 11725 8044 1 6237 11087 10339 10336 4853 1 11086 1 9879 12338 6080 7978 7283 9773 1 12193 8993 3367 1 4211 6882 6304 1 12191 1 1 27336 9329 4865 1 1 3554 4833 1 1 11131 11100 4373 1 7671 1 200.0655 *200.0762* 200.0762@6.40957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0762 *200.0839* 200.0839@1.0973947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0839 *200.1025* 200.1025@1.2865851 1 1 1 1 1 1 1 1904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 9145 10645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15307 1 1 1 200.1025 *200.1035* 200.1035@1.2616302 1 1 1 1 1 1 1 6129 1 1 5723 5914 1 1 1 1 1 1 1 1 5023 6060 1 1 1 1 1 1 1 3632 7036 6874 7244 8997 1 1 1 1 19967 18168 1 1 1 1 1 1 1 1 4071 1 1 1 1 1 1 1 1 1 1 1 7142 6953 12920 13661 9678 9495 1 1 1 1 1 1 1 1 4271 1 1 1 10324 12338 1 1 1 1 1 1 20863 15826 1 1 200.1035 *200.1056* 200.1056@1.1857312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7234 6921 22713 23223 1 14940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1056 *200.1076* 200.1076@1.1811055 1 1 4720 4982 1 1 12045 11649 2409 1 6077 5510 1 1 1 1 1 1 2504 1 7286 5970 1 1 1 1 1 1 1 1 11951 13221 8445 8678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4329 4998 1 3093 1 1 1 1 8762 8880 1 1 1 1 1 1 14179 1 1 3786 1 1 1 2739 1 2354 3599 1 1 1 11773 11243 1 1 1 1 8662 6906 1 19360 2892 1 200.1076 *200.1134* 200.1134@1.1784943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6415 6386 1 1 1 1 1 1 1 1 4605 1 1 1 3208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 1 1 1 1 1 1 1 1 4147 4073 3080 1 1 1 1 1 1 1 200.1134 *200.1177* 200.1177@1.1764572 1 3720 1 1 1 1 1 1 1 1 1 1 1 1 1 3292 1 1 1 1 1 1 1 1 1 1 4180 1 1 1 1 1 1 1969 1 1 1 1 1 1 1 1 1 1 2307 3267 1 5025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3621 1 1 7600 1 1 1 1 1 1 1 4755 1 1 1 1 2445 4378 200.1177 *200.1236* 200.1236@1.1653882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3899 1 1 1 2037 1 1 1 1 1 1 1 1 200.1236 *200.1286* 200.1286@1.1556737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2523 3041 1 1 1 1 1 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 2945 1 1 1 1 1 1 1 1 1351 1 1960 1 1 1 1 1 1 1 1 1 200.1286 *200.1303* 200.1303@1.2028214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1303 *200.1359* 200.1359@1.1855909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 2926 2537 1 1 1 1 1 1 1 1 2421 2739 1 1 1 1 1 1 1 2744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 5549 1 1 1 1 1 1 1 1 1 200.1359 *200.1627* 200.1627@2.0537136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1627 *200.1632* 200.1632@1.0656548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 3796 1 1 1 1 1 1 1 1 1 2810 1 1 1 1 1 1 1 1 1 1 1 98861 1 1 1 1 200.1632 *200.1703* 200.1703@1.9798791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3353 1 1 1 1 200.1703 *200.1712* 200.1712@1.0700582 1 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 1 2309 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 2944 3026 2877 3208 1 4181 1 1 3574 3224 1 1 2508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3805 4010 1 1 1 1 1 1 1 1 5870 6097 1 1 3789 1 3171 3154 1 1 200.1712 *200.1746* 200.1746@1.0678052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4084 4013 1 1 1 1 1 1 3689 1 1 1 1 1 1 1 1 1 1 1 1 1 5194 5423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1746 *200.1758* 200.1758@1.9788114 1 1 1 1 1 1 2563 3024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2201 2109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1655 1819 1399 1314 1033 1466 2431 1 1 1 1496 1873 200.1758 *200.8875* 200.8875@0.7650414 20120 19405 11788 11584 5734 6144 14353 14781 22669 19419 12934 12535 20933 20832 19912 19795 14602 14253 11631 10821 10253 10240 17484 17038 14262 14674 8131 8474 8083 8046 18703 14852 1 1 39989 44588 33339 29501 22134 20848 25891 25358 70489 72279 13731 14762 22638 24879 39303 41913 51091 49171 55095 53870 19420 20744 44208 40213 39250 40151 37964 49104 4384 4366 28937 29558 49174 50461 49297 54360 69346 70438 17674 17923 11581 64315 66192 63740 20666 20396 27055 26181 69760 68826 62822 60536 40381 37891 36819 39145 200.8875 *200.8879* 200.8879@0.7605833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.8879 *201.009* 201.009@0.7637953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3859 1 1 1 1 1 1 201.009 *201.0101* 201.0101@1.1432192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0101 *201.017* 201.017@0.73500013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.017 *201.0492* 201.0492@2.1116245 1 1 1 1 6578 1 1 21582 6660 1 1 15427 1 3641 1 2827 1 1 1 1 23864 1 1 1 1 1 1 1 1 1 1 1 1 1 2975 10500 1 9476 1 1 1 7857 1 16840 1 1 32353 1 1 1 1 22578 1 8294 1 1 1 1 8069 1 1 1 1 31161 1 1 1 33173 1 1 1 1 12396 1 1 1 1 5225 1 1 1 1 1 1 1 26213 8323 1 1 8538 201.0492 *201.0517* 201.0517@2.2042315 1 1 1 1 1 1 1 1 1 1 1 4206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7802 1 1 1 1 1 1 1 1 6521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0517 *201.0619* 201.0619@1.9690238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 201.0619 *201.0626* C3 H12 Cl N5 O3 16195 15467 12750 12427 13273 14012 14282 13980 8328 10983 14188 13731 13915 14873 12526 8640 9115 9636 18400 18992 17428 17685 12072 12140 13227 14415 12540 13625 11950 10673 13154 13441 12769 12231 9927 10666 16538 15663 16569 14863 11215 11014 18382 18906 14519 14450 11155 10878 11219 11170 11965 11804 13581 14136 17681 17324 14955 15032 17343 17835 7503 8631 11639 11218 13597 13505 14227 14918 12549 13073 20122 20006 13769 14066 13639 12806 18616 19041 14030 14253 18170 18181 22137 22466 20481 20469 15098 16548 12583 12602 201.0626 *201.0634* 201.0634@1.6470803 1 1 1 1 1 1 1 1 3285 1 1 1 1 1 1 3920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0634 *201.0666* C8 H12 Cl N3 O 3026 3730 3361 2999 3964 3806 3928 3953 1 1 3559 3257 1 1 1 1 3134 3340 1 3032 5857 6001 1 1 1 3198 4795 4997 1 1 1 1 3108 1 1 1 1 1 8385 9135 1 1 1 1 4502 4512 1 1 1 1 3910 3926 1 1 3779 3822 3789 1 4830 5036 1 1 3225 1 4096 3767 1 1 1 1 1 1 3942 3496 1 1 1 1 6469 6797 5528 5881 4372 4325 4236 4304 4265 4339 1 1 201.0666 *201.0673* C8 H12 Cl N3 O - 2.9285357 1 1 13383 12497 9991 9976 10830 9271 4300 5180 9117 7269 7665 7219 15854 16005 13451 14284 1 1 1 1 11034 11553 18778 15398 1 1 1 1 9689 8540 1 1 10912 12183 1 1 1 1 1 1 1 1 1 1 1 7224 15325 16567 28539 30293 19542 18296 1 1 1 1 8345 8116 12696 11819 9000 1 1 1 1 1 8490 7110 1 1 1 1 11555 11813 18025 17728 1 1 1 1 30576 32126 1 1 1 1 9342 10019 201.0673 *201.0675* 201.0675@2.663188 1 1 1 1 1 1 1 1 1 1 4492 5266 1 1 1 1 1 1 12677 11901 3933 3998 1 1 1 3084 4976 4488 1 1 1 1 1 1 1 1 1 1 11682 10818 1 1 1 1 2873 3464 1 4481 1 1 1 1 1 1 1 1 1 2249 3079 3680 1 1 1 1 1 1 1 1 1 1 1 1 3974 1 1 1 1 1 3984 4721 13182 14072 1 1 5827 6288 3895 4031 1 1 201.0675 *201.1355* 201.1355@2.3073816 6130 6235 1 1 1 1 7897 12201 1 1 1 1 6541 6254 1 1 1 1 13114 11226 1 1 1 1 1 1 1 1 1 1 1 1 1 6317 1 1 1 6243 1 1 8836 8056 1 1 9342 8067 1 1 1 1 6916 10095 1 1 1 1 13575 13406 1 1 1 1 1 1 1 1 1 1 2626 5994 1 1 1 1 1 1 1 1 1 1 8237 7654 9428 9828 1 1 1 1 11898 11805 201.1355 *201.136* 201.136@2.3431332 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 1 1 1 6338 7683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.136 *201.9567* C6 H2 O6 S 6130 1 1 5495 7214 4521 6528 5673 6613 5484 5582 5302 5365 5789 4819 4829 5538 5800 5146 5220 5828 5717 5889 4090 4147 4436 4819 6807 5066 4772 3652 4145 6038 1 4721 4746 5248 4565 5205 4257 1 4997 4950 4723 4969 4125 4495 4777 4738 1 4855 3677 5491 4258 4959 4340 4653 5095 5254 4142 3712 4763 4722 4217 4344 4235 4013 3622 4209 1 4047 4493 1 3929 5130 4276 1 1 1 1 5905 4521 4956 1 1 3592 1 4044 1 1 201.9567 *201.9569* 201.9569@1.0786182 1 1 1 1 3310 1 1 1 1 1 1 1 1 1 1 1 6703 6108 1 3043 1 1 1 1 1 1 1 1 1 1 1 4434 1 2996 1 1 1 1 1 3751 1 1 1 1 1 1 1 1 1 1 1 3202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.9569 *201.957* 201.957@1.2057106 1 1 1 1 4830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.957 *201.9571* 201.9571@1.6444095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.9571 *202.0268* 202.0268@0.7546184 1 1 1 1 1 1 8743 7749 1 1 1 1 1 1 1 1 1 1 23503 26477 1 1 1 1 1 1 1 1 3792 4025 1 1 15620 15662 1 1 9134 9184 1 1 1 3563 1 1 4109 3870 5299 4859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2047 1 1 1 1 4273 3489 1 1 6876 1 1 1 1 1 3246 1 1 1 1 1 1 1 1 1 1 1 202.0268 *202.0283* 202.0283@1.055282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4149 2928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 202.0283 *202.0295* C11 H6 O4 12893 13830 14865 14051 6794 7235 1 1 7595 7755 1 1 1 1 45841 43958 4450 5132 1 1 1 1 2897 1 18553 20626 4328 4267 1 1 25430 25465 1 1 5666 6459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5413 5440 16094 17304 1968 3391 1 1 1 1 19501 18359 10177 8631 1 1 1 1 1 5672 33626 33221 5006 5203 1 1 1 1 1 1 9484 9026 1 1 5953 5464 202.0295 *202.0324* 202.0324@1.4035175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5171 1 1 1 1 1 1 1 1 1 1 1 9103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0324 *202.0331* C8 H11 Cl N2 S 1 5768 2568 1 4184 4469 3678 8285 6190 1 8156 7409 6562 5529 1 5960 1 1 7039 5938 6339 11716 6330 4371 5072 4724 5707 7256 4415 11743 11572 7790 1 1 4657 10424 4616 5959 6015 6794 1 10909 9296 7839 8333 6294 14898 10868 9358 7313 1 1 10757 12626 6452 8101 9431 6865 1 1 11263 16145 7577 6492 6539 5479 4568 7747 9237 8585 9306 1 13254 7937 8095 4902 7130 7458 1 1 5863 8490 11198 4784 6979 12532 2512 4568 10218 7969 202.0331 *202.0332* 202.0332@2.8868673 1 1 1 1 1 1 8423 1 1 2394 1 1 1 8234 1 1 1 8429 1 1 1 1 1 1 1 1 1 1 1 1 7820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11283 1 1 1 1 1 1 1 8618 1 1 1 1 1 1 202.0332 *202.0336* 202.0336@1.4596351 1 7501 7575 1 6190 1 1 5634 2767 5486 3796 1 3420 1 1 1 1 5067 1 5645 1 1 2306 1 1 3949 1 1 10182 3208 4719 1 5298 1 10608 11664 1 1 1 1 1 5461 1 1 1 1 12794 1 3682 4926 1678 1 1 4183 1 5065 1 1 1 1 3442 1 1 1 1 1 1 3236 1 1 8294 9851 8817 1 1 1 1 1 1 1 1 1 1 4774 1 1 1 1 7886 1 202.0336 *202.0336* 202.0336@2.8153086 1 1 1 1 1 1 1 1 1 10292 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0336 *202.0338* 202.0338@1.8203192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0338 *202.0345* 202.0345@1.6036155 1 1 1 1 1 1 1 1 1 3767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 8843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10566 1 5535 5901 5232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0345 *202.0354* C6 H10 N4 S2 10007 16498 9293 12716 16354 18989 15020 5347 1 7201 16254 18435 18252 23224 8363 5339 9460 8188 18138 1 1 14320 1 10418 6161 1 12082 15382 3231 1 15422 19016 25198 17709 12312 10368 16862 18868 16697 12689 1 19133 21183 21088 14349 18241 1 19613 18962 20596 24989 88428 11615 3945 12109 1 26862 18541 14556 1 1 1 22179 17215 18987 11942 19449 1 14368 14133 31714 24718 1 24070 24822 1 1 13215 21082 18107 22974 15285 18686 10944 25697 28536 19077 23303 32472 22747 202.0354 *202.0369* 202.0369@2.1012132 7470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7057 1 1 1 1 1 1 1 1 1 1 1 1 28577 1 1 1 1 31882 3690 1 1 8207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7411 2134 1 1 1 1 16732 1 1 2491 1 1 20166 16261 1 1 1 11605 1 1 1 1 1 1 1 15233 1 1 1 11043 1 1 1 1 1 1 1 1 202.0369 *202.0383* 202.0383@2.0431967 1 1 1 1 1 1 1 1 1 1 1 51188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49432 55253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0383 *202.0384* 202.0384@1.5581428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5932 4311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0384 *202.0393* C15 H6 O 39637 3157 1 1 3571 2083 4031 73119 1 1 1 2621 1 1 1572 2247 2618 3857 1 1 77054 1 1 1 10537 1 1 1 1 1 1 1 3556 20448 1 26037 2975 3080 1 15947 1 1 1 1 21782 1 102843 1 1 1 5235 5343 3089 4279 3797 4081 1 1 4980 1 1 5212 4077 93694 4252 3815 1 106253 1 4244 1 3147 4949 1 4185 1 1 78978 1 1 1 1 6246 4225 4276 59098 66318 21683 1 1 202.0393 *202.0403* 202.0403@2.951109 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8476 5845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0403 *202.0441* 202.0441@6.4081154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4970 1 1 1 1 9730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11983 1 1 8042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0441 *202.0445* C4 H6 N6 O4 - 5.123831 37637 14434 33876 1 1 16566 1 29260 34323 29094 18176 44585 16514 12941 49316 1 14511 22705 29831 26885 1 26442 32088 1 13201 27212 1 1 62269 20903 27294 15763 35115 30225 32311 58270 28216 74792 1 1 20298 25161 23647 24008 71611 11844 29045 23466 28396 30397 23920 39822 19747 38612 1 29311 1 21337 49551 1 45239 28290 46099 1 1 30047 54353 1 1 30127 29107 37561 52980 27712 1 32217 1 42199 1 1 1 11904 30047 45423 33192 38147 1 1 36053 1 202.0445 *202.0445* C12 H10 O S 4309 5087 5015 5073 4548 5200 3978 4072 4044 5212 5998 4626 4247 4612 4917 5581 5254 5117 11103 12003 6183 5138 6628 5251 7144 5684 8942 10544 8175 10031 4780 6131 11042 10139 7588 7961 10263 12064 15623 13215 5772 9371 9249 7501 12247 11248 10956 11453 12724 8052 5682 7481 8665 9065 12147 12177 11033 12316 10356 12198 9825 9287 12805 7537 11487 18326 11064 11886 18408 8826 15546 12751 14866 15502 7073 7077 9417 10345 11363 11336 13498 14463 7688 6508 15912 24584 8637 11969 9925 10379 202.0445 *202.0445* C12 H10 O S - 5.820351 2202 2304 2215 2357 1 3297 1 1 1 1 3043 3919 1 2832 7622 3598 1 1 21986 9189 2606 4232 1 3011 5966 5420 12661 11027 7622 8133 1 1 9790 19615 6478 5465 9640 12897 12741 13549 10088 7640 9018 14018 8266 12387 12980 12091 10458 9212 8654 6373 9936 10619 10624 12074 12610 13261 11490 15465 15179 14873 14296 11484 14986 13933 19708 18178 11411 11520 27673 25624 12117 12050 1 6109 10708 1 16035 17020 21111 21864 9574 12996 22359 32608 20878 17285 14089 15662 202.0445 *202.0445* C12 H10 O S - 5.94126 1 1 1 6011 1 5684 1 1 1 1 1 1 3578 1 3743 1 1814 1 10676 13190 4455 11746 4379 3886 4190 1 4723 1 1 1 1 4817 1 2608 11438 1 12342 3581 1 1 1 13907 14249 7007 8510 1 11973 15824 5811 11799 1 1 11797 6032 1 5598 1 2383 14798 1 6920 1 1 1 12495 13373 14246 1 1 1 14756 1 14920 8212 4347 1 1 1 1 1 1 5861 10093 10679 1 1 19050 1 1 4137 202.0445 *202.0445* 202.0445@4.9967456 1 1 1 1 1 5034 1 1 1 1 1 1 1 1 7910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15434 1 1 1 14840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3645 1 1 1 7098 1 1 1 1 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 202.0445 *202.0445* 202.0445@5.9184856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4857 1 1 1 1 1 1 1 1 2793 1 1 1 1 1 1 1 1 1 11850 1 1 1 1 1 1 1 1 1 1 3985 1 1 1 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 202.0445 *202.0445* 202.0445@4.5983887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 1 1 1 13444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0445 *202.0445* 202.0445@5.014493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0445 *202.0446* C4 H6 N6 O4 1 20867 1 14681 26203 5048 1 10046 4675 7056 1 1 18717 1 6939 1 23224 29161 12195 1 1 11184 1 15888 1 1 1 1 1 1 7097 1 1 8066 28386 10432 1 1 22165 1 1 44451 1 18193 1 2072 23555 18695 13044 4876 17112 1 37714 4858 1 36272 1 1 1 1 1 1 1 39895 1 18128 18054 1 1 32092 42391 1 20348 1 1 27896 1 1 15292 20325 1 7999 1 22595 1 1 1 1 21716 38659 202.0446 *202.0446* 202.0446@4.2832723 1 1 1 1 1 1 1 1 1 1 1 1 1 5349 1 1 1 1 6340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4322 1 1 1 9948 1 1 1 1 1 1 1 3585 1 1 1 16738 1 1 1 8712 1 1 1 1 1 1 1 1 1 1 14157 5865 1 1 1 1 6649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0446 *202.0446* 202.0446@5.111423 1 1 1 1 1 1 1 1 2451 1 1 1 1 1 1 1 1 1 6135 1 1 6842 1 1 1 1 1 1 1 1 6587 1 1 27954 1 1 1 1 1 1 1 1 1 1 1 29081 1 20627 14334 10987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3084 1 1 1 11185 1 1 1 1 1 1 1 1 1 1 29362 1 1 1 1 1 1 3951 1 202.0446 *202.0446* 202.0446@5.8911424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0446 *202.0446* 202.0446@4.332971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0446 *202.0447* C12 H10 O S - 5.735309 9775 9216 6020 6332 1 5775 5258 1 5414 1 10605 9928 5222 5110 2638 8192 7637 7311 7068 22272 10225 9780 7852 7497 10952 10801 16920 17303 16627 14073 5399 5922 17065 2040 13318 14381 15561 16650 24713 23473 14674 17615 16897 18021 21927 21017 19591 18199 16780 14410 11408 13045 13705 14482 17100 18675 24569 23225 20321 20842 19961 19848 21955 18615 22378 1 25135 24615 1 19571 33680 31148 22610 23254 13863 14390 20083 19017 29400 29073 32988 34020 18169 18616 29029 1 18991 23394 23642 21097 202.0447 *202.0454* 202.0454@1.9661148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4948 4277 1 1 1 1 1 1 1 1 202.0454 *202.0488* 202.0488@3.0822198 1 8188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11666 1 1 1 3275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0488 *202.0504* 202.0504@0.82231903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0504 *202.0526* 202.0526@3.0796404 1 1 1 1 1 1 6784 1 1 1 1 1 1 3069 1 1 3192 6864 1 1 1 1 7324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7228 1 1 1 1 1 1 1 1 11077 1 1 1 1 1 1 3663 1 1 1 1 1 1 1 1 202.0526 *202.0539* 202.0539@2.8399117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9670 1 3196 1 1 1 5780 1 1 1 1 1 1 1 1 3620 1 7638 1 1 1 1 1 1 1 1 1 202.0539 *202.0543* 202.0543@1.9700247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7114 7444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16787 1 1 202.0543 *202.0549* 202.0549@0.8230972 1 1 1 1 1 1 1 1 3907 3614 1 1 1 1 2971 3798 1 1 11280 1 1 1 1 1 11325 1 1 1 1 1 8144 10694 1 1 1 4496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4869 5274 1 1 1 1 1 1 5477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0549 *202.0578* 202.0578@2.98493 1 1 1 1 1 1 1 1 1 1 10799 1 1 1 1 1 1 1 1 1 1 14112 1 1 1 1 1 1 1 1 1 1 1 1 6782 9479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0578 *202.0632* 2-Naphthaleneacetic acid, 6-hydroxy- - 2.938551 1 1 43814 43496 26063 7120 35477 42801 17182 24621 1 16451 36543 29015 61388 66551 53746 57944 1 1 1 1 43801 48680 20565 76799 1 1 1 1 33003 31495 1 1 40807 35308 1 1 1 1 1 1 1 1 1 1 1 1 67773 54255 110112 115676 76021 82102 1 1 1 1 25670 29828 40615 37039 1 1 1 1 1 1 1 1 1 1 1 1 42423 38625 54161 51145 1 1 1 1 110787 129092 1 10800 1 1 26967 28536 202.0632 *202.0636* 2-Naphthaleneacetic acid, 6-hydroxy- 13864 12862 11333 11559 14982 15711 14195 13494 1 1 13050 14195 5676 5732 1 1 12396 11638 1 9229 21456 21962 6211 7524 1 10399 17072 17704 11061 10706 1 1 10029 7898 4327 1 7868 8323 34322 34970 7740 7156 11562 11060 16189 15528 8342 7417 7896 8403 13845 13199 7666 9318 12647 14076 14064 14084 17503 16707 6038 6584 12256 11471 1 1 1 1 6653 6602 6754 6584 11402 11200 1 1 9396 9255 25669 26553 22048 21742 15084 14834 12897 13549 15462 14280 4335 1 202.0636 *202.0636* C8 H6 N6 O 6595 6207 8326 9203 12350 1 1 1 1 1 18617 34575 1 1 1 1 1 1 3589 1 11874 13762 1 1 45569 1 1 17675 3507 5072 1 1 1 1 1 1 6835 8151 1 1 1 1 1 4653 7648 9140 8466 1 1 10762 1 1 1 1 1 3313 8271 7005 7020 10397 1 1 25536 16363 3227 4098 5341 5162 1 1 8087 8385 1 1 1 1 16825 15998 14318 17364 1 9026 1 1 1 20664 10284 9884 1 1 202.0636 *202.0642* 202.0642@2.5707407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46413 50546 1 1 1 1 1 1 18287 1 1 1 1 1 1 1 1 1 1 1 45119 43655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54124 56485 1 1 19040 1 1 1 1 1 202.0642 *202.1179* 202.1179@1.3438349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5666 1 1 1 1 1 1 1 1 7926 6182 1 1 1 1 1 1 1 1 1 1 5831 6279 5534 1 1 1 4566 5631 1 1 1 1 1 1 1 1 1 1 1 5221 1 6867 1 1 8052 8222 1 1 3973 4256 202.1179 *202.1225* 202.1225@1.1648777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1225 *202.1249* C8 H18 N4 S 1 1 18556 6163 9332 9627 25505 24369 3038 1 1 1 1 1 1 1 3893 4114 1 1 1 1 1 1 20461 18163 8064 7740 1 1971 1 1 1 1 1 1 6621 7245 19700 19049 1 1 1 1 1 1 1 1 1 1 16822 6124 1 1 1 1 1 1 1 1 7068 5903 19499 18949 9275 9506 1 1 1 1 1 1 1 1 1 1 1 1322 17610 15203 1 1 1 1 15048 7520 18911 18437 1 1 202.1249 *202.1311* 202.1311@1.1573262 1 4658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6203 7070 1 1 1 1 1 1 1 1 20151 20846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6513 1 1 1 11448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8576 1 1 1 1 202.1311 *202.1398* 202.1398@1.1526777 4969 1 1 1 1 1 1 1 1 3889 1 1 5363 1 1 1 1 1 5117 5088 1 1 6757 6587 1 1 1 1 1 1 1 1 1 12803 4670 4480 2228 1 1 1 1 1 4219 4333 1 1 1 1 7749 1 1 1 6647 1 1 1 20868 1 1 1 1 1 1 1 1 1 11583 6180 1 5941 12144 12241 4923 1 1 1 1 1 1 1 1 1 8225 8039 1 1 1 1 1 1 202.1398 *202.1458* Asymmetric dimethylarginine 1 1 1 1 1 1 1 1 1 1 8119 8850 1 6574 8235 8453 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 1 1 11704 1 1 1 1 1 1 1 6864 7208 1 1 5979 1 10290 9377 1 8948 1 1 1 1 6622 5453 1 1 1 1 1 1 1 1 1 1 1 1 5828 1 1 1 1 4594 8656 12092 7518 1 1 1 1 10515 1 1 1 1 1 1 11510 11545 HMDB03334 202.1458 *202.1469* 202.1469@1.1492064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11673 1 1 1 1 1 1 1 1 1 202.1469 *202.1472* 202.1472@1.9726652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7225 1 1 1 1 1 1 1 1 1 1 202.1472 *202.1511* 202.1511@1.148858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9771 9000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5848 1 1 1 1 1 1 1 1 1 1 1 1 9789 9349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6189 1 1 1 1 1 1 1 1 1 1 1 1 202.1511 *202.9632* 202.9632@0.6604957 1 1 7357 1 1 5881 1 1 1 1 1 1 1 1 1 7356 1 1 1 1 4873 4690 6526 6560 1 1 7878 1 1 7758 1 7075 1 1 3210 1 2463 6255 7870 1 1 1 1 1 1 1 1 1 1 1 6175 1 4884 1 1 6741 3981 1 6995 8877 4850 1 3553 2654 1 6989 1 5528 1 1 1 1 1 1 1 8535 1 1 4873 1 1 1 1 1 5445 1 1 1 4307 1 202.9632 *202.9633* 202.9633@2.010128 1 1 1 1 1 1 1 8412 1 1 1 1 1982 1 1 1 1 1 1 1 1 1 19083 1 18443 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9633 *202.9635* 202.9635@1.3512039 1 1 1 3610 5176 1 3875 1 1 1 1 1 1 1 1972 1 1 1 2875 5984 1 1 1 1 5107 4128 1 1 1 1 1 1 1 1 4356 6359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 1 1 1 1 1 1 1 1 5601 1 1 1 1 1 1 1 1 1 6574 1 1 1 1 1 1 1 1 1 1 1 1 1 4151 1 1 1 1 202.9635 *202.9636* 202.9636@1.9689193 1 1 1 1 1 1 1 13212 17877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19066 1 1 1 1 16856 1 1 1 1 17901 1 1 1 1 1 13912 1 1 1 1 202.9636 *202.9636* 202.9636@2.9200232 1 1 1 1 6755 8240 1 1 1 1 1 7749 3552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5416 6979 1 1 1 1 1 1 1 1 1 1 1 1 4181 1 1 1 1 1 1 1 4851 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9636 *202.9636* 202.9636@2.9680426 1 1 1 1 1 1 1 1 10747 1 1 1 6121 1 1 1 1 1 1 1 1 12160 1 5620 1 1 1 1 1 1 2159 1 1 1 1 16866 1 1 9116 1 1 1 1 1 1809 1 1 3207 11231 4622 3188 1 4940 1 1 1 1 1 1 1 1 1 8805 1 3601 1 1 1 1 8614 1 4555 1 1 1 1 1 1 7250 1 7835 1 1 1 1 1 1 1 11516 1 202.9636 *202.9638* 202.9638@1.6328014 5918 1 1 12147 6828 1 9510 4120 4995 7114 7654 8586 6615 1 1353 1 8914 9755 4082 5443 8873 1 1 1 8876 7204 8119 1 7328 6230 1 9725 8447 1 7637 4342 1 7056 9729 1 6469 7349 10021 6509 9756 1 9307 6201 1 9277 1837 1 5602 9848 7550 1 7813 6954 1 5465 9461 8734 8134 5555 7162 7489 1 1 5093 5234 1 8520 7158 7143 5755 6583 1 4690 1 1 7211 1 8489 10736 5934 6938 1 11795 3561 4135 202.9638 *202.9639* C7 H6 Cl N S2 - 1.318665 2641 7813 10245 9370 6209 1 6350 9206 3044 6055 1 6168 2390 6980 8411 1 1 15007 2686 5774 5393 8639 1 5585 8324 4639 7406 6087 2780 9781 1 8666 5049 2111 7749 4308 1 11906 1 1 3979 8250 10893 1 1 1 1 1 6680 1 11575 1 5331 4553 1 6295 1 1 1 8227 8981 4329 1 5661 9253 1 1 1 8952 1 3094 4053 7986 1 11359 1 1 1 1 8064 7440 1 9030 1 1 9694 1 1 5384 1 202.9639 *202.9639* 202.9639@1.4844087 1 1 1 1 2423 1 1 1 1 2164 1 1 1 1 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9639 *202.964* C7 H6 Cl N S2 2609 5047 3622 1 5861 8053 1 1917 1 1 4688 1 5031 4511 1 5185 2052 2290 6378 7102 5573 1 1 1 6692 5512 1 5322 14888 1 1 1 18782 4072 5003 1 1 1 1 1 1 1 1 1 1 6903 2707 1 1 1 1 1 4488 9965 5188 5165 1 3827 6218 6099 1 3025 1 1 1 6315 4702 2719 1 1 1 6532 5240 1 1 5001 1 4044 1 6336 1 4741 3626 5583 1 3850 4706 2653 1 1 202.964 *202.9651* 202.9651@1.0503477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.9651 *203.0233* 203.0233@0.9663649 1 1 1 1 1 1 1 1 1 4453 1 1 1 1 1 1 1 1 4377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4942 6967 1 1 1 1 1 1 7115 9689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0233 *203.0247* 203.0247@0.83085024 1 1 1 1 1 1 1 1 1 4256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0247 *203.0412* 203.0412@2.0427756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4198 1 1 1 1 1 2473 1 1 1 1 6246 1 203.0412 *203.0467* C5 H9 N5 O2 S 1 1 1 1 1 1 1 1 1 1 1 1 4759 1 12425 7677 6119 1 1 1 1 1 1 1 10872 23255 1691 1 1 1 1 1 1 1 1 1 1 1 1 1 7450 7262 1 1 1 1 1 1 17177 11311 10158 1 6756 7847 8837 10087 1 3248 13863 10975 1 1 1 1 1 1 1 1 5048 1 8158 1 6831 5665 1 1 1860 1570 1 2675 11046 2758 12091 14571 2965 5835 1 1 1 1 203.0467 *203.0485* 203.0485@1.965212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15081 1 1 1 1 1 1 1 1 203.0485 *203.0498* 203.0498@1.1390567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0498 *203.0517* 203.0517@1.9646777 1 5616 1 1 1 1 1 1 1 1 9126 5634 1 1 1 1 1 1 1709 1 4615 1 4087 1 1 1 1 1 5826 5955 1 1 1 1 1 1 1 5233 6523 1 1 1 5272 5763 8112 7919 1 4981 1 1 1 9669 1 1 1 1 1 1 1 1 6101 1 1 1 1 1 1 1 1 6137 1 1 1 1 4790 1 5545 1 1789 1 1 1 1 1 13276 1 10310 10941 1 7764 203.0517 *203.0535* C7 H13 N3 S2 5308 1 4776 9443 5193 1 1 1 5121 10203 1 1 1 3710 1 1 1 1 1 4562 1 4482 1 3700 1 1 4465 12045 1 1 1 3790 5385 6736 3984 3785 5537 1 1 6350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8971 5345 1 1 1 1 5655 7028 5231 4902 4452 4473 1 1 1 1 1 1 1 4562 1 1 1 1 1 1 1 1 1 10041 1 1 7545 1 203.0535 *203.0542* C6 H9 N3 O5 5136 5743 6098 5761 8022 7754 1 1 6148 6468 7679 7424 6500 6448 8270 8228 5179 5592 4661 8088 4893 5689 5347 5943 8754 8471 1 1 7678 8656 7655 7137 1 1 6110 5942 7597 1 1 1 1 6730 9614 1 3120 1 1 1 10933 4601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5384 1 1 1 1 1 1 1 9788 1 1 1 1 1 1 1 203.0542 *203.062* 203.062@1.9741712 1 1 1 1 1 4948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.062 *203.0652* 203.0652@2.940703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0652 *203.0667* 203.0667@1.9727668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0667 *203.0709* 203.0709@1.9746377 1 1 1 1 1 1 6406 5411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6435 5635 1 1 1 1 1 1 1 1 1 1 203.0709 *203.0822* 203.0822@1.6421938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5455 5433 1 1 203.0822 *203.1154* 203.1154@3.228788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1154 *203.9394* 203.9394@0.93130946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.9394 *203.9703* 203.9703@1.5837783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6419 1 1 1 6856 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 4394 1 1 1 1 1 1 1 1 4902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3423 1 1 203.9703 *203.9712* C10 H4 O S2 10088 8750 9244 9908 13476 14274 11306 10909 9764 9243 14369 13043 9319 9359 9490 8828 7916 8490 20074 17665 13466 12852 12083 12916 17191 16917 16787 17326 14936 16259 5622 4031 5861 6759 4198 3738 7719 7835 6862 7221 5537 6123 9053 8771 12552 11572 8553 7726 11018 11051 8573 7854 8927 9222 5670 6233 10000 10069 6543 7007 9159 8110 9080 9576 8370 8083 9595 8958 6735 7432 6015 1 7228 7778 4668 5154 7858 7881 8814 8720 8522 10906 11627 13154 10332 10174 7088 6554 5218 5382 203.9712 *203.9718* C10 H4 O S2 - 1.5389082 22007 22961 9559 10263 25086 25034 35016 34898 13610 10759 25778 28448 26692 25662 17427 14991 15273 14431 32990 30790 52847 50248 21272 21952 24283 20336 25885 25358 55622 59012 35406 33617 25063 25655 5463 5602 23950 26389 54613 55713 12420 12258 15678 15720 49478 42921 32332 28288 7637 7487 23902 26691 13631 12720 12284 10993 35677 29445 29002 24921 7196 6959 14482 13501 16087 16707 17233 16390 9858 10618 12805 11655 14575 16036 33956 33564 18211 18843 39217 40655 18033 18280 15868 15793 18862 18536 60652 62334 11139 10781 203.9718 *204.0085* C7 H8 O5 S 92741 93545 1 235536 75480 55714 109597 104317 170463 156927 55668 47928 67973 68001 83651 82700 159572 176561 119236 98231 64493 64785 181516 185109 147673 153224 247195 247466 124891 125549 100762 83138 165057 173506 99068 70771 263506 263022 57500 53815 65789 99809 69610 73685 224339 222861 67761 62328 152206 142362 116174 114154 64893 63269 133036 127734 125434 144781 68899 70310 50657 55199 89376 89596 168359 160080 245130 232293 85468 88009 162940 157837 98620 107368 66679 66949 79455 85267 127540 131746 293704 285851 75339 79615 144516 151299 56918 58181 132120 121575 204.0085 *204.0089* 204.0089@0.79459506 1 1 237776 1 11899 19966 133735 146544 1 10076 26475 37937 1 1 1 1 1 1 1 19423 1 1 1 1 1 1 1 1 1 1 1 17699 1 1 1 30099 1 1 1 1 27542 1 5629 1 1 1 10447 34001 1 1 1 1 6154 1 1 1 1 1 1 1 1 1 1 1 1 5612 1 8233 7191 1 1 1 12098 1 1 1 8187 1 1 1 1 1 1 1 84672 77286 1 1 1 1 204.0089 *204.009* 204.009@0.76634455 1 1 1 1 1 12418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.009 *204.0093* 204.0093@0.8427633 1 1 1 1 1 2469 9344 1 1 1 3291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 1 1 1 1 1 1 5438 1 1 3620 3606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0093 *204.027* 204.027@6.8617344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.027 *204.0271* 204.0271@6.8319488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 1 1 1 6127 2922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0271 *204.0363* 204.0363@1.8813056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 1 204.0363 *204.037* 204.037@1.8792286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8953 7669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7544 5684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 4022 5550 5261 1873 1 1 1 1 1 1 204.037 *204.0421* PYROGALLIN 7642 7629 7618 7838 8390 6074 4859 3033 7287 8203 8841 9186 7642 6025 10770 12280 10719 9525 5457 5062 7152 8920 6385 5467 21244 18369 11079 7949 11448 11810 8268 4220 7086 8122 7442 5762 9862 7293 8434 9215 11461 10147 7652 6201 12360 10671 8007 8263 22144 17903 15672 15930 14472 14723 15687 17060 7784 8483 18997 16827 7154 8074 1 9509 6103 1 5223 5660 13456 10344 15011 14862 9989 7766 8304 8128 7936 10418 4031 1 16659 18745 14815 19462 13130 12665 1 16895 1 8738 204.0421 *204.0485* 204.0485@1.9748026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17490 1 1 1 204.0485 *204.0718* 204.0718@1.1165407 1 1 1 1 1 1 2426 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0718 *204.0725* 204.0725@0.6947808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0725 *204.0761* 204.0761@1.9776691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4908 1 1 1 1 1 1 1 1 1 1 204.0761 *204.0797* 204.0797@1.601868 1 1 1 1 1 1 1 1 1 1 1 1 1 4757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6669 6800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21993 23151 1 1 204.0797 *204.0807* 204.0807@1.1971139 1 1 1 1 1 1 1 1 1 1 1 1 23078 23950 1 1 1 1 1 1 1 1 4084 3361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0807 *204.0853* 204.0853@1.9840804 1 1 1 1 1 1 9686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0853 *204.0891* 204.0891@5.599122 1 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5774 1 1 1 1 1 1 4268 1 1 1 1 1 4499 1 1 1 1 1 1 1 1 1 1 2608 3820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 2886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7307 1 1 1 1 1 1 204.0891 *204.0895* Tryptophan 24660 23954 39265 35661 24231 24640 24132 22763 31499 30948 33884 34693 25708 25853 34675 35462 20866 20517 35369 40743 30126 29828 35705 34865 31144 28046 32212 32028 28178 30870 31165 28174 17507 18218 20404 20728 26037 26800 21844 21047 33637 32655 35315 34695 25300 26620 34106 33262 38340 37659 28013 28173 31828 29624 34885 35264 28899 29866 32657 35823 40253 39758 25517 24018 19845 19964 27854 29186 31044 29953 40453 42380 29354 30217 28967 30715 36474 35663 30157 31397 35781 36083 36827 31222 34457 35717 23160 22863 30657 30592 C00078 204.0895 *204.0928* 204.0928@2.0031304 1 1 1 1 1 1 1 5177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3413 3306 1 1 1 2581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2556 1 1912 1 1 1 204.0928 *204.106* 204.106@1.9777143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.106 *204.1286* 204.1286@0.7167281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1286 *204.1349* 204.1349@1.3428637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6102 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5482 6199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1349 *204.1358* 204.1358@1.3087307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1358 *205.0041* 205.0041@1.0870019 1 1 1 1 6783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8370 6368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0041 *205.005* 205.005@0.9865734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4163 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.005 *205.012* 205.012@0.7574489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3106 1 1 1 1 1 1 1 1 1 1 1 205.012 *205.0725* 205.0725@1.9801352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8280 1 205.0725 *205.0729* 205.0729@3.0453744 1 1 1 1 1 2821 1 29471 1 1 12724 1 1 1 1 1 1 1 15981 1 1 11473 1 1 1 1 1 1 1 1 9644 36750 1 16071 1 1 1 13721 1 1 1 1 1 1 1 1 1 4198 4217 1 39540 1 1 1 1 3897 1 1 1 1 1 1 1 1 6501 7670 1 1 1 1 1 1 1 3027 14449 1 1 10871 19721 1 1 1 1 1 1 1 2643 4170 9351 5883 205.0729 *205.0729* 5-Methoxyindoleacetate - 3.1318412 9117 10256 12258 9742 39526 41085 32563 27444 43826 49074 6269 19755 12618 11986 6310 6498 6972 9618 8995 24122 18068 7516 6925 7614 15721 17311 16966 15541 28323 28398 57477 25878 26134 10464 1 1 20379 6151 21384 22156 15841 15817 1 6921 10970 9812 7964 8535 5869 10008 12659 13280 1 4530 17284 18038 1 1 1 1 1 1 7340 6540 10096 6961 34866 33013 11694 12197 25058 23703 8431 5878 11902 9098 19431 8172 8055 27874 1 1 1 1 42128 41022 9821 9022 4822 10481 HMDB04096 C05660 205.0729 *205.0731* 5-Methoxyindoleacetate 1 1 52607 50031 25169 18890 95673 66220 8147 1 26739 27201 26736 25223 41835 47018 63301 60265 1 1 1 1 65845 66415 21135 19880 1 1 4419 21625 7589 8744 16687 17555 47981 44352 1 1 1 1 22696 23022 14929 13398 20309 20192 32827 29961 18170 19913 3519 41564 19357 19383 15951 14587 26497 26626 27306 24701 26423 29067 10759 8999 14698 1 1 1 12916 15125 1 1 13837 14655 9691 30141 35715 35486 1 1 1 1 51252 52441 49225 47041 1 11203 44298 46778 HMDB04096 C05660 205.0731 *205.0735* 205.0735@2.602884 32995 31714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158972 159542 14916 14271 1 1 1 1 34558 33434 17415 1 1 1 1 1 1 1 17808 19631 78346 76871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14182 14346 15899 1 1 22748 16009 1 1 1 1 1 1 3593 79794 108027 114116 1 1 1 1 11211 1 1 1 205.0735 *205.0737* 205.0737@2.614351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67855 1 1 1 1 1 1 1 1 1 1 1 205.0737 *205.0868* 205.0868@1.4607968 1 1 1 1 1 1 1 1 1 1 1 1 5730 7640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0868 *205.0876* 205.0876@1.1958076 1 1 1 1 1 1 1 1 1 1 1 1 40739 41493 1 1 1 1 1 1 1 1 5614 6005 2732 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 1983 1 1 1 1 1 1 1 1 205.0876 *205.192* 205.192@2.534367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.192 *205.9527* 205.9527@0.98258215 1 1 1 1 1 1 4644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5862 1 1 1 1 1 1 63725 38420 5169 5148 47477 42725 1 1 1 1 1 1 1 1 1 1 1 1 4970 6884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6077 4976 1 1 1 1 1 1 5412 3941 1 1 1 1 5098 4992 1 1 1 1 205.9527 *205.9534* 205.9534@0.97484684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23326 2321 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5066 1 1 1 1 1 1 2106 3753 1 1 1 1 1 1 1 1 1 1 205.9534 *205.955* 205.955@0.9966742 1 1 1 1 1 1 1 15752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31085 30954 1 1 1 1 1 1 1 1 1 1 1 1 7190 1 1 1 1 1 2652 1 1 1 1 1 1 1 1 1 4862 1 1 1 1 2913 1 1 1 1 1 1 1 1 4861 1 1 1 1 1 205.955 *205.9631* 205.9631@1.0364552 1 1 1 1 1 1 6756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3604 4019 205.9631 *205.9768* 205.9768@4.305251 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9768 *205.977* 205.977@5.241317 5669 1 1 2459 4616 3080 1 3639 1 1 3882 1 1 1 2491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.977 *205.977* 205.977@6.3828783 1 1 1 1 4661 1 1 1 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.977 *205.9772* 205.9772@6.2708836 1 4443 1 1 6493 4450 1 1 3333 1 4370 4295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9772 *205.9773* 205.9773@5.9329114 1 1 8338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9773 *205.9774* 205.9774@6.4852495 5458 4108 5298 6318 3828 2911 3846 3411 3081 2876 6618 2619 3320 3549 1 3548 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9774 *205.9776* 205.9776@5.8230896 1 1 2052 5189 1 1 3438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9776 *205.9776* 205.9776@6.707577 1 1 1 1 1 1 1 1 5329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9776 *205.9777* 205.9777@7.4010253 1 1 1 6250 2906 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9777 *205.9779* 205.9779@5.8258505 1 4646 5171 4167 4229 3355 2994 1 1 1 1 4424 1 2803 1 1 3727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9779 *205.978* 205.978@4.254281 1 4291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.978 *205.978* 205.978@6.598488 1 5207 1 1 3443 1 1 1 3683 2065 1 1 1 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.978 *205.9787* 205.9787@4.3552194 1 5519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9787 *205.984* 205.984@0.9969437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3555 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.984 *205.988* 205.988@0.9974327 1 1 1 1 1 2928 1 1 10155 8453 1 1 2822 2674 1 1 1 1 7085 6743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5765 6357 1 1 1 1 1 1 1 1 1 1 1 1 2669 3024 4441 4397 3934 4567 1 1 1 1 6304 6098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.988 *205.9893* C6 H6 O6 S 1 1 1 1 47736 50263 1 1 94757 93270 1 1 179360 182816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40171 44831 1 1 1 1 49082 51668 1 1 47981 1 43901 41198 75618 75638 1 1 1 11711 1 1 1 1 46571 47150 61355 62175 1 1 91561 86187 1 1 1 1 1 1 78456 80831 34060 32275 1 1 32392 29190 1 1 1 1 1 1 13748 15358 44015 43866 205.9893 *205.995* 205.995@1.1505413 1 1 1 1 1 1 2298 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.995 *205.9953* 205.9953@0.72545356 9440 9506 1 1 4786 1 15495 15578 1 1 13203 11331 1 1 13099 12985 1 1 1 1 10718 11191 19229 17718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8893 8993 4554 1 1 1 1 48817 1 3492 1 1 1 1 12641 2195 1 1 12879 1 1 1 3363 1 13050 13152 1 1 39038 37254 1 1 1 1 1 1 1 2779 1 1 1 1 1 1 7996 9179 28270 27088 1 1 1 1 205.9953 *205.9992* 205.9992@0.75746393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9992 *206.0026* 206.0026@0.769714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3876 1 3020 1 1 1 1 1 1 1 4041 1 1 1 6659 9479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5229 1 1 1 1 1 1 1 1 1 6047 1 1 2939 5729 1 1 1 1 206.0026 *206.0375* 206.0375@1.9673877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0375 *206.0552* 206.0552@1.1426251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0552 *206.0587* 206.0587@2.3981843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6624 4072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0587 *206.0588* 206.0588@1.9680815 1 1 1 1 1 1 2986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0588 *206.0591* 206.0591@2.3230357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 8297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0591 *206.0604* 206.0604@2.8069813 3612 3753 1 1 1 1 1 4302 4819 5971 1 4161 4414 6574 1 2177 7202 4737 1 1 3398 3357 1 1 1 1 1 1 1587 1 1 1 1 3158 4880 5032 1 3395 5914 1 1 1 1 1 1 1 1 1 1 1 3917 3947 1 1 4556 1 7667 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6136 1 1 1 1 1 1 2823 1 1 1 1 1 1 1 206.0604 *206.0617* 206.0617@1.1387789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 2511 1 1 1 1 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0617 *206.0658* 206.0658@2.815457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4780 5473 1 1 4163 3895 1 1 1 1 1 1 5786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0658 *206.071* 206.071@2.9292696 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8597 1 1 1 1 1 1 1 206.071 *206.0849* 206.0849@1.154443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0849 *206.1141* 206.1141@1.9911758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1141 *206.124* 206.124@1.1974963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.124 *206.129* 206.129@1.2301608 1 1 1 1 1 1 1 1 1 1 1 1 1 45996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25431 21732 1 1 1 1 3612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.129 *206.1447* 206.1447@1.0891521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10405 1 1 1 1 1 1 1 1 1 206.1447 *206.1663* 206.1663@1.0953225 5381 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 2773 1 1 1 1 1 1 1 1 2423 2517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1663 *206.9472* 206.9472@0.8900169 1 1 3395 3584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.9472 *207.0524* 207.0524@1.592588 1 1 1 1 5190 5845 34966 37105 1 1 3844 1 7773 7459 1 1 7783 8800 1 1 7943 8050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2704 7943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15751 18878 1 1 1 1 207.0524 *207.0527* 207.0527@1.192 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0527 *207.0659* 207.0659@5.641338 5826 4963 6367 6087 5589 6241 4440 4257 6294 5173 4994 4385 3573 3850 4668 4724 3214 3591 4310 3989 3831 3339 3452 3818 3351 1 3447 3119 2936 3365 3638 3087 1 1 1 3396 1 1 1 1 2403 1 2956 1 1 1 1 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0659 *207.0777* 207.0777@2.0531363 1 1 1 1 1 1 1 1 1 3830 1 1 4181 4181 6125 6051 1 1 1 1 1 1 1 1 5059 5511 1 1 1 1 1 1 1 1 1 1 4371 4457 1 1 4980 5245 1 1 1 1 1 1 4493 4510 3925 4022 4576 1 1 1 1 1 1 1 1 1 3693 1 1 1 1 1 1 4112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4082 1 1 207.0777 *207.0879* 207.0879@3.3091714 5175 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12809 11175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8477 7572 207.0879 *207.8609* 207.8609@0.7810475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4414 1 1 1 4210 1 2086 1 1 1 1 1 1 4360 1 1 1 1 1 1 207.8609 *207.861* 207.861@0.77069867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 1 1 1 5071 6497 1 3795 1 1 3264 1 1 1 1 1 1 1 1 1 1 3187 1 1 1 1 1 4504 3845 4195 1 6280 1 1 4680 8784 6354 13006 5381 3044 2004 7332 3618 3333 2318 6370 4791 7000 4467 4364 5067 5348 4729 1732 4490 7192 2513 1 7164 4612 207.861 *207.9508* 207.9508@0.96973604 1 1 1 1 1 1 9282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2768 2853 1 1 1 1 1 1 1 1 1 1 1 1 2807 3091 1 1 1 1 207.9508 *207.9511* 207.9511@1.0193319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4706 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 1 1 1 1 207.9511 *208.001* 208.001@0.8401367 1 1 1 1 5253 4803 1 1 4551 4048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5977 5796 1 1 1 1 1 1 1 1 1 1 9870 10493 1 1 1 1 1 1 1 1 1 1 4960 3859 1 1 1 1 3308 1 1 1 1 1 1 1 1 1 1 1 208.001 *208.0097* 208.0097@1.4349217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 3124 1 1 1 1 208.0097 *208.0183* C10 H8 O3 S 3042 2927 1 1 5870 5985 5386 4225 3753 3280 7421 8287 5404 5095 4956 4273 3524 4117 9025 10003 3097 3494 6560 6423 5248 6505 3546 3663 37119 36779 7348 7525 10777 13294 8247 8918 5211 5526 8456 8677 4212 4355 3728 3570 4932 4472 4066 3490 1 3005 3957 5287 4977 4319 4893 4770 3422 4309 3743 4072 2880 3451 2972 2952 3712 3362 5610 6141 4353 4341 7644 6645 1 1 1 2732 4905 4925 8605 9553 12889 13110 5293 6954 13701 13104 9326 9196 1 2739 208.0183 *208.0205* C3 H8 N6 O S2 5854 1 5716 1 1 5452 9669 9234 4822 8086 5552 5346 4906 3583 5207 2790 5462 5256 5695 5538 5042 5156 4892 4334 4358 4971 1 3643 4194 1 6378 6384 5868 6702 1 4220 4710 5231 5209 5388 1 1 4200 1 1 5642 1 1 1 1 6340 1 1 3843 3369 5875 7209 5987 1 4382 4431 1 4896 3245 4932 5083 1 3971 5077 1 1 1 1 3119 1 1 6572 5489 9197 5229 3577 5849 5326 4160 1 1 1 1 4746 6061 208.0205 *208.0215* 208.0215@1.1061214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4454 4971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0215 *208.0264* 208.0264@1.9703038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5585 4986 1 1 1 1 1 1 1 1 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 4428 2978 1 1 4065 3537 1 1 1 1 1 1 1 1 1 1 5474 5193 1 1 208.0264 *208.0341* 208.0341@1.972849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4353 4142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7062 5029 1 1 1 1 208.0341 *208.0506* 208.0506@1.1761525 1 1 3889 3340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0506 *208.0559* 208.0559@1.1724175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0559 *208.0563* 208.0563@1.4663651 1 1 1 1 1 1 7495 7760 1 1 1 1 1 1 1 1 2951 3607 1 1 1 1 1 1 1 1 6819 6367 1 1 1 1 1 1 1 1 1 1 1 1 5816 2495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3322 1 1 1 6724 7885 1 1 1 1 208.0563 *208.0729* 208.0729@1.1490839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2076 1 1 1 1 208.0729 *208.0741* 2,5-Dimethoxycinnamic acid 10822 11618 21545 12332 12624 13784 10145 9316 15637 15450 10120 9598 29163 30897 50498 25731 26303 25342 12123 32598 11359 11743 12333 27148 39964 40690 12042 2130 29520 30570 11715 12759 4476 4227 3476 1 19555 18808 13050 13020 21447 19083 8988 5267 6709 6775 16290 15967 38650 15238 15591 16519 18399 18077 16747 34057 15853 15979 12632 13217 15912 16055 15163 14125 6150 8321 2035 9422 16261 18404 10277 9875 5280 5340 15479 15409 12927 12666 11996 12275 16256 14742 8359 8100 11148 10169 14756 15157 5856 6422 HMDB02370 208.0741 *208.0743* 208.0743@2.0709648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 20444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0743 *208.0772* 208.0772@1.1496354 1 1 1 1 1 1 1 1 3584 3907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 208.0772 *208.1138* 208.1138@1.2017711 1 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5725 5822 1 1 1 1 2744 2448 1640 2450 7614 7823 1 1 1 1 1 1 1 1 1 1 1692 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2131 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1138 *208.1175* 208.1175@1.1911418 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 6870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3831 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1175 *208.1394* 208.1394@1.1578823 1 1 1 1 6470 1 2568 23017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4483 1 1 1 1 13158 1 1 2314 1 1 1 1 1 2581 1 1 2224 1 1 1 1 4041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 14163 23906 1820 1 1 1 1 1 208.1394 *208.1419* 208.1419@1.2127764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3980 1 1 1 1 1 1 1 1 1 1 1 1 3652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1419 *208.1445* 208.1445@1.1284001 1 12852 13489 1 5511 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 2015 1 1 1 1 1 1 1 1 1 4808 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 2994 1 1 1 1 41952 8647 1 1 1 1 1 1 1 1 1 1 17266 1 11916 7630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1445 *209.0679* 209.0679@3.1261544 1 1 1 1 1 1 22122 21860 1 1 1 1 1 1 1 1 1 1 14527 15633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7447 7335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25736 26920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5595 1 1 1 1 1 1 1 1 209.0679 *209.0702* 209.0702@2.807117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14693 16657 1 1 1 1 209.0702 *209.0706* 209.0706@2.7125626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33003 17958 1 1 1 1 209.0706 *209.9825* C6 H10 O2 S3 6046 5746 2541 1 7116 7410 11314 10566 8027 8614 4744 4523 2743 3222 3668 3560 5666 5890 4457 4215 1 1 4524 4233 3556 3517 2048 2709 4366 4347 5970 6624 8935 8701 3596 3890 5120 5159 1 1 5175 6165 2855 3027 4476 4038 9276 8795 14461 15231 4820 4691 4701 3977 2891 2532 8654 6806 2917 2996 13373 13435 13903 13845 9855 9625 4279 4107 2996 3067 4491 4982 3478 3701 3082 3255 2701 1 11742 12861 3856 3932 6365 6101 9678 10200 1 1 7508 8125 209.9825 *210.0011* 210.0011@2.0387056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8904 8350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0011 *210.0189* 210.0189@1.2511194 1 1 1 1 2476 1 6586 6336 1 1 4125 4284 1 1 1 1 1 1 4620 4148 1 1 1 1 1 1 1 1 1 1 3656 3781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3891 3628 1 1 1 1 3803 3647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5406 5501 1 1 1 1 5583 5647 1 1 1 1 210.0189 *210.0522* 210.0522@1.5154554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6211 8084 6001 4565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7075 1 1 1 1 1 1 1 1 1 10728 7228 1 1 1 1 1 1 1 1 1 1 1 1 9638 8776 7708 1 1 1 1 1 1 1 3141 5866 1 1 1 1 1 1 210.0522 *210.053* 210.053@1.6040668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7422 6635 1 3359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 6561 1 1 1 1 1 1 1 1 2987 1 1 1 1 1 1 1 210.053 *210.0554* 210.0554@1.6474842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 3919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0554 *210.0628* 210.0628@1.623544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0628 *210.0665* 210.0665@1.6353611 1 4832 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5902 5399 2805 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 1 1 1 1 1 1 1 1 1 1 2701 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7677 1 1 1 1 7773 6687 1 1 210.0665 *210.067* 210.067@1.6278101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6284 6536 3788 3734 1 1 1 1 1 1 1 1 1 1 1 1 1 5514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 1 1 1 1 1 4094 1 210.067 *210.073* 210.073@1.6320475 1 1 1 1 9253 9558 7813 7282 4054 6028 4354 4145 1 1 6221 5986 1 1 10741 12740 1 1 19741 19514 1 1 1 1 4830 2381 1 1 10084 9911 1 1 1 1 1 1 9608 9403 1 1 1 1 6142 5213 1 1 5165 5005 1 1 1 1 1 1 1 1 1 1 1 1 4766 3529 7241 6883 1 1 8955 8897 1 1 1 1 1 1 1 1 8007 1 1 1 21516 21513 1 1 1 1 210.073 *210.0734* Sedoheptulose 1 1 1 9533 12751 1 1 1 17286 1 1 1 1 1 1 1 1 1 1 1 13105 14057 13669 1 1 1 11359 11212 1 1 1 16191 4136 4131 10933 10788 1 1 1 19762 1 1 1 1 10381 9469 1 20998 1 18499 21483 1 1 19279 17732 1 1 1 1 17922 1 6810 1 1 12877 7223 1 13446 1 1 15097 14518 3316 4819 1 1 20684 21427 25507 1 1 1 11658 12561 19305 20994 17335 16971 18124 19907 HMDB03219 C02076 210.0734 *210.0748* 210.0748@2.723119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6462 1 1 1 1 210.0748 *210.0766* 210.0766@2.048288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0766 *210.0888* 210.0888@1.1177615 1 1 2916 2924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2871 2373 1 1 1 1 2520 2431 1 1 52325 52406 1 1 1 1 1 1 1 1 1 4792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9614 9791 1 1 1 1 1 1 1 1 1 1 1 1 4172 1 1 1 1 1 56473 56944 1 1 1 1 210.0888 *210.0912* 210.0912@0.8405845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0912 *210.0929* 210.0929@1.1522491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 1 1 5447 1539 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0929 *210.1166* 210.1166@1.1680982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5115 1 1 1 1 210.1166 *210.1217* 210.1217@1.1662034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4626 1 1 1 1 1 210.1217 *210.1266* 210.1266@1.1577777 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1266 *210.1341* 210.1341@1.1619195 1 1 1 1 4884 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 1 8897 3164 1 2707 1 1 1 1 1 1 1 1 3725 3146 9149 3034 1 1 1 1824 1 3402 1 1 1 1 1 1 1 1 6150 12873 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 210.1341 *210.1431* 210.1431@1.1450318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4747 1 1 1 1 1 1 1 1 1 1 210.1431 *210.1486* 210.1486@1.1603787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1486 *210.1555* 210.1555@1.1634077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5187 1 1 1 1 3917 1 1 1 1 1 1 1 1393 1 1 14553 2907 1 1 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 210.1555 *210.1603* altretamine 40987 40061 28472 30161 53967 3956 25786 58420 35128 34942 24279 6506 41703 43287 59500 43463 29737 6510 22227 38879 36643 36595 24318 123906 36403 58923 60714 60035 128012 128822 7346 57066 49124 55635 49531 8837 50009 51192 58271 54829 65685 38128 20178 21154 43069 59711 42421 42851 1 1 75158 79947 27564 39938 42065 19290 117842 7400 33013 11580 15690 96896 66553 75699 3680 87451 31698 5364 52144 8596 33286 33631 22574 23435 39013 39640 65018 81248 38629 38507 69550 30136 37038 36193 1 1 82331 74337 39349 34925 210.1603 *211.0633* 211.0633@2.713115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6515 1 1 1 1 211.0633 *211.064* 211.064@1.1255732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.064 *211.0832* 211.0832@5.82787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8526 9052 1 1 1 1 1 1 1 1 1 1 211.0832 *211.9541* 211.9541@0.74320704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3196 1 4966 4896 1 1 1 1 1 1 1 1 3262 3565 1 1 6173 3859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 3099 1 1 1 1 1 1 1 1 1 1 1 1 5755 6226 3098 3430 1 1 1 1 211.9541 *212.0314* C4 H9 Cl N4 O4 1 4066 5043 4695 4282 6074 5531 7135 5201 5451 11528 12044 8168 10539 32320 30487 11597 10964 9072 8826 8385 9403 15886 15208 1 2836 4774 4672 1 1 12868 12167 15981 14697 50268 47323 23320 23912 3245 5359 15615 15096 1 1 3704 4104 5548 6070 10069 9959 8595 7858 5071 6272 70574 66040 3521 3707 1 1 1 1 44728 87809 6894 6893 35892 34672 5810 5961 14151 24055 6459 7787 23713 20179 12826 16066 6955 6542 18897 19369 12766 12928 8021 7389 5077 5265 35542 35785 212.0314 *212.0323* 212.0323@0.7295278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3836 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0323 *212.0462* 212.0462@1.2706456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4639 5325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 212.0462 *212.0539* 212.0539@1.2025257 1 1 1 1 1409 1 3259 2332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8909 5995 1951 1 1 1 212.0539 *212.0546* 212.0546@1.3001988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9241 1 1 1 1 212.0546 *212.0555* 212.0555@1.4772184 1 1 1 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 1 1 5875 5380 1 1 1 1 212.0555 *212.0594* 212.0594@1.1922352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5940 1 1 1 1 1 212.0594 *212.0616* 212.0616@1.4606256 1 1 1 1 1 1 1 1 1 1 5094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0616 *212.0674* 212.0674@1.4351221 1 1 1 1 1 1 9228 12774 1 1 1 3490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6337 1 4474 4771 4385 4704 1 1 4780 3809 1 1 1 1 1 1 5522 6153 1 1 1 1 1 1 1 1 1 1 9523 10277 1 1 17238 20115 1 2057 1 1 1 1 1 1 1 1 1 1 4578 4230 1 1 1 1 2958 2995 1 1 1 1 212.0674 *212.0675* 212.0675@2.859548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19583 22865 1 1 1 1 14596 5847 1 1 1 1 212.0675 *212.0682* 212.0682@2.6858304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85690 1 1 1 1 1 11604 12016 1 1 1 1 212.0682 *212.0718* 212.0718@1.1226357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9987 1697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0718 *212.0859* 212.0859@1.990011 1 1 1 1 1 3591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3714 1 1 1 1 1 1 1 1 1 1 1 212.0859 *212.09* 212.09@1.7318089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.09 *212.0901* Gly His 1 1 1 1 16183 6922 8776 6723 1 1 4960 1 1 1 1 1 1 1 1 1 1 1 1 16706 1 1 1 1 5140 7103 1 1 18516 16155 12119 9757 17714 16936 1 1 3315 16842 1 1 1 1 4791 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3718 11860 20716 9365 8280 1 8190 8222 1 1 1 1 1 1 1 1 13555 12669 1 1 36202 52749 3046 2610 1 1 212.0901 *212.0908* 212.0908@1.8686259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7380 1 1 1 1 1 212.0908 *212.091* 212.091@1.6897526 1 1 1 1 1 1 1 4518 1 1 1 11780 1 1 1 1 1 1 4947 8418 1 1 21512 6335 1 1 1 1 3415 3972 1 1 8534 1 1 2595 1 2579 1 1 1 1 3238 1 1 6256 3290 3682 1 1 1 6618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10958 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 20502 11180 4523 5721 1 1 212.091 *212.0983* 212.0983@1.6245878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 1 1 11073 1 1 1 1 1 1 2321 1 1 1 1 1 7106 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 4221 1 1 1 1841 1 1 1 1 1 1 1 2672 1 4410 3895 1 1 1 1 212.0983 *212.0984* 212.0984@1.2397342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3247 3144 1 1 1 1 212.0984 *212.1013* 212.1013@1.9718565 1 1 1 1 1 1 4702 4496 1 1 1 1 1 1 1 1 1 1 21101 6414 1 1 1 1 1 4635 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2312 3565 1 1 1 1 1 1 1 1 1 1 212.1013 *212.1021* 212.1021@1.2390133 1 1 1 1 1 1 1 1 3853 3631 1 1 1 4812 1 1 4620 1 1 1 1 1 7291 8242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6825 8019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1021 *212.1034* C6 H17 Cl N4 O2 5129 5834 1 1 1 1 1 1 1 1 1 1 1 1 2820 1 1 1 6146 6181 1 1 4903 5170 4352 4928 6558 6921 8340 8748 1 1 1 1 1 1 4724 5061 1 1 7491 10035 1 1 1 1 1 1 1 1 8644 9378 1 1 3070 3133 1 1 1 1 1 4150 1 1 3407 2814 1 1 1 1 1 1 1 3015 1 1 1 1 3012 3500 8872 8738 1 1 3525 3413 1 1 1 1 212.1034 *212.1038* C11 H16 O4 37244 41029 6960 7226 1 1 6987 8457 1 1 50979 49094 25572 10912 5742 5495 1 1 166212 164589 48281 48402 114355 119910 1 1 1 1 84892 91190 14428 19641 31698 25077 1 1 1 1 1 1 4920 1 5555 1 81846 22180 33044 39072 14431 16250 1 4754 1 1 11002 11250 47987 49259 10947 13168 1 1 4272 1 1 1 1 4536 1 1 19740 22931 9384 1 7698 9551 1 1 44008 44872 21502 24754 11418 14264 9056 10184 1 1 12270 12390 212.1038 *212.1042* 212.1042@1.5497772 1 1 1 1 1 1 1 1 1 1 1 1 1 12353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1042 *212.1088* 212.1088@1.1896749 1 1 1 1 1 1 3206 1 1 1 1 2915 4942 1 1 1 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1088 *212.1114* 212.1114@1.1829295 1 1 1 1 1 1 1 3141 1 1 1 1 1 1 1 1 1 1 2781 5655 1 1 6764 7745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3792 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 3096 1 1 212.1114 *212.1233* 212.1233@1.1525266 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3771 1 1 1 1 1 1 1 1 5768 1 212.1233 *212.134* 212.134@1.1512233 1 1 1 1 1 1 1 1 1 1 4620 4869 1 1 1 1 1 1 1 1 1 1 8438 8609 1 1 3005 1 1 1 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2079 1 1 1 1 1 1 1 1 1 1 1 1 3223 1 7719 6872 4231 1 9994 9774 1 1 1 1 1 1 6675 5406 1 1 1 4777 11054 11294 1 1 1 5949 212.134 *212.1365* 212.1365@1.1471499 3334 1 1 1 1 3238 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5377 1 1 1 1 1 2659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6580 4771 6356 4625 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8766 1 6480 6997 1 1 1 1 5277 1 1 1 11419 9858 1 1 212.1365 *212.141* 12-oxo-10Z-dodecenoic acid 8701 8661 2736 2893 1 1 2996 2531 2019 1 3140 3245 3532 2733 2651 2657 1 1 6715 5583 1 2018 6266 6056 4956 5512 4613 4928 5177 5360 1 1 1 1 3395 4127 4819 4153 2400 2561 5608 4592 1 1 1 1 2293 2489 1 1 4925 4342 2514 2595 4202 3485 2095 2444 3825 3889 1 2326 1 3058 3074 2688 2256 2917 2179 1 1 2137 2940 2187 1 1 1837 1 3234 3656 4199 4392 2917 2723 3121 3236 1 1 1 1 212.141 *212.1412* 212.1412@1.1408521 1 1 1 1 1 1 1 6499 1 1 1 1 12689 8741 1 1 1 1 1 1 9259 11585 1 1 1 1 1 1 1 1 1 1 5731 1 1 1 5477 6655 1 8263 1 6021 1 1 6021 1 1 1 1 1 29476 28273 5208 1 1 1 8011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9123 1 1 1 1 1 1 1 1 212.1412 *212.1736* 212.1736@1.119785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1736 *213.0094* 213.0094@0.9731631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 1 1 1 1 1 1 1 1 1 1 213.0094 *213.0095* 213.0095@1.0943593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13616 12219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11126 10271 1 1 1 1 1 1 1 1 1 1 1 1 4197 4013 1 1 1 1 1 1 1 1 1 1 213.0095 *213.0096* Indoxylsulfuric acid 811663 820211 512507 506945 417115 413918 1330506 1317962 390421 392330 217629 239072 480073 498507 371423 367747 420718 425808 428600 426617 316733 312384 229559 228839 724100 721129 505918 502299 802924 806503 189168 188513 1269166 1269822 1022242 1016329 789224 790423 514629 511604 661098 661613 742367 749677 833398 834783 597387 582920 594552 600168 604700 604205 519660 598345 231185 233648 823035 819204 198064 199606 734973 738370 175389 180263 713868 709058 559917 560672 354769 357409 185194 186621 303407 297807 368372 370418 540306 542474 1005325 1411705 952606 959709 878217 889614 497221 485871 296656 292183 1028207 1030632 213.0096 *213.0098* 213.0098@0.8316033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359273 1 1 1 1 1 1 1 1 1 1 1 213.0098 *213.0184* 213.0184@0.7052287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4232 4414 1 1 1 1 213.0184 *213.019* 213.019@2.655358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46613 46447 1 1 1 1 1 1 1 1 1 1 5800 5299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.019 *213.0457* 213.0457@0.7365971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 3705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0457 *213.0612* 213.0612@0.7461292 1 1 1 1 2484 1 1 1 1244 1 1 1 1 1 1 1 1 1 2569 3247 3356 3556 1 1 1 1 2357 2739 1 1397 1 2354 1 1 1 1 1 1 4117 4164 1 1 1 1 2473 1 1 1 1 2970 4445 1 2537 2659 1 1 1 2399 2734 1 1 1 1 1 1 1 1 1 1 1 1 1 2035 1987 1 1 1 1 1 1 2936 3134 1 2302 1 1 1 4035 1 1 213.0612 *213.0639* 213.0639@0.7530442 1 1 1945 2674 1 3426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5060 1 1 1 1 1 4814 4023 1 1 1 213.0639 *213.0778* 213.0778@2.8071175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24426 28461 1 1 1 1 213.0778 *213.0783* 213.0783@2.711062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64426 62205 1 1 1 1 213.0783 *213.0863* 213.0863@5.641415 3871 3525 4211 4387 4535 4245 4028 4051 3773 4114 3488 3381 3019 3316 3281 3325 3128 2867 3371 3360 3432 3089 1 3482 3020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0863 *213.1071* 213.1071@1.5557255 3869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.1071 *213.1304* C10 H19 N3 S 1 1 1 1 6570 6375 1 1 5431 5429 2978 2786 7947 8335 3510 1 7128 6217 1 3038 1 1 1 1 13080 12534 6705 1 13387 14979 1 1 1 1 1 1 15421 16944 6427 5514 11300 9531 13232 14440 16267 16076 8676 9620 8810 9095 7871 9743 10326 8131 1 1 1 15095 1 1 14017 13414 1 1 13220 12572 5248 5693 1 1 1 1 3148 1 1 1731 5172 4619 1 1 1 1 1 1 6210 1 1 1 1 1 213.1304 *213.1813* 213.1813@0.79576176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3729 3746 1 3230 4754 4939 1 1 1 1 1 1 5084 5832 1 1 3748 4159 4011 4190 5239 6011 3066 3074 2744 3116 3416 3156 2716 3775 1 1 4961 5307 1 1 3934 4579 1 1 1 4202 1 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.1813 *213.9275* C3 H3 Cl N2 O3 S2 8560 9058 6106 5931 6810 7491 6378 6360 6381 6405 9133 8895 6848 6566 7121 7174 6856 6976 7322 7540 6952 6427 7003 6420 8164 7962 6794 7540 7469 7678 7134 7487 7263 7519 7823 8266 6423 6608 7130 7947 7277 7522 6019 6465 6454 6373 6026 6170 6017 5718 6237 6491 6906 6865 5536 5963 6500 6305 7095 7504 8892 8285 8668 9066 7276 6688 6706 6835 5850 5961 8426 9065 6620 6569 6411 6899 6583 6534 8223 7669 7369 7561 8341 8256 7172 6530 7827 7767 7342 7674 213.9275 *213.9497* 213.9497@0.74317414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1918 3099 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 213.9497 *213.9865* C6 H2 N2 O7 1056714 1042697 1052304 1068669 1042409 1056953 938767 938420 888660 914361 1036357 1047972 971358 976273 943935 911870 881998 887807 993090 1002388 1126626 1131237 1025897 1032529 1020260 1035768 829798 829989 888880 894175 1132884 1164573 1353352 1353970 1164667 1165819 1284563 1300725 1015750 1013405 1198800 1209163 1240373 1260846 940655 910878 889159 892065 1067169 1061839 1324355 1278940 1223328 1216705 1298976 1284931 1116773 1108414 910188 911902 1029499 1030786 1387361 1397341 1144719 1144746 1268044 1268163 1080430 1120605 1157864 1200887 928304 922449 1219111 1263801 890060 891970 813436 853989 877316 878023 1021641 1022464 1142347 1128981 829265 815311 900330 917351 213.9865 *214.0262* 214.0262@0.7976917 1 1 1 1 1 48769 1 1 1 1 22387 1 1 1 1 1 1 1 35951 42786 1 1 25381 21502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14721 1 1 1 1 1 1 1 22985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0262 *214.0318* 214.0318@0.746805 1 1 1 1 20663 16876 6895 7202 1 1 1 1 17642 1 1 1 1 1 56887 51219 1 1 35017 39007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24879 32023 31682 1 1 1 1 1 1 1 1 1 1 1 1 5369 23270 1 32412 43663 1 1 1 1 1 1 1 1 1 1 28898 30811 1 1 1 1 1 1 4932 1 1 1 1 1 214.0318 *214.0353* 214.0353@0.74673796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22217 1 1 1 1 1 1 1 1 1 1 4277 1 30828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0353 *214.0452* 214.0452@0.74787277 1 1 1 1 1 1 1 1 1 1 9445 11936 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15940 15199 1 7360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26100 21455 13342 14476 1 1 23621 38229 1 10048 214.0452 *214.0479* 214.0479@0.76260054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0479 *214.0543* SULFAGUANIDINE 1 1 30401 37581 1 1 37034 29191 1 1 1 1 1 1 1 13087 10600 1 1 1 34665 31265 1 1 15925 17645 1 1 16526 14857 21683 25570 1 1 1 1 18471 1 1 1 25510 26386 12671 11152 21804 22633 1 1 1 1 1 1 1 1 34990 27720 1 1 26175 25352 1 1 1 1 1 1 10378 9012 15175 1 1 1 22984 23861 1 1 1 1 1 1 1 1 2915 1 63271 65757 12577 1 11653 1 214.0543 *214.0552* 214.0552@6.8396115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 1 1 1 214.0552 *214.0564* 214.0564@0.76744246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0564 *214.0591* 214.0591@0.77143407 25388 20638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8933 1 1 1 1 1 1 1 1 32028 32402 1 1 1 1 59183 46298 1 1 1 1 31232 32756 1 1 1 1 1 1 1 1 1 1 42018 37693 1 1 1 1 18560 19449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84985 91730 1 1 1 1 1 1 1 1 1 1 214.0591 *214.0637* 214.0637@2.0435462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14090 12673 1 1 214.0637 *214.0859* 214.0859@1.9735404 1 1 1 1 1 1 4162 3695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0859 *214.0923* 214.0923@1.9775794 1 1 1 1 1 1 1 1 1 10090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0923 *214.0956* 214.0956@1.9790776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2874 4296 1 1 1 1 2479 1 1 1 1 1 1 1 2296 2244 1 1 1 1 1 1 1 1 1 1 1 1 24287 3511 1 1 2847 2968 1 3135 1 1 2261 1 214.0956 *214.1084* C8 H14 N4 O3 1 1 1 1 41758 14120 37709 11169 40193 11151 38093 13545 11728 11710 9356 10626 10074 10078 69494 67389 12963 92060 11729 11983 90407 94189 102438 8867 9951 9050 13849 13790 1 1 14405 13997 1 1 29067 30324 15205 12950 1 1 10049 10835 23346 10563 12432 12915 1 1 1 1 1 1 41611 13831 11054 1 12727 12800 1 1 33981 33925 1 1 39246 11638 47055 44496 108048 6194 1 1 9345 6549 5329 58392 30625 7734 45326 42249 11941 12001 19881 19549 8142 9050 214.1084 *214.1195* 214.1195@1.2574704 1 1 1 1 1 1 6125 6307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7771 5618 1 1 1 1 1 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3746 4219 4170 2379 1 1 1 1 1 1 1 1 1 1 1 1 4277 1 1 1 1 1 1 1 1 1 1 4397 214.1195 *214.1251* 214.1251@1.1788281 1 3729 1 1 1510 1 34487 36049 8242 1 1 1 1 1 1 1 1 1 1 1 1 6006 1 1 1 1 1 1 1 1 1 3172 1 1 1 1 1 1 1 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22767 22037 13831 19910 1 1 1 1 1 1 1 1 1 1 1 1 1 15136 1 1 1 1 1 1 1 1 28362 27926 214.1251 *214.1289* 214.1289@1.1754419 1 1 11029 6870 1 1 1 1 1 10647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3715 1 1 1 4000 1 32551 30592 9676 1 1 1 1 1 1 1 1 1 1 1 1 1 17870 16406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3925 1 1 214.1289 *214.1357* 214.1357@1.1569424 1 1 1 1 1 1 1 1 1 1 21719 18478 1 1 1 11206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11932 1 1 11935 1 1 1 1 1 1 1 28131 26877 1 1 1 1 1 1 1 1 1 1 1 1 17251 17733 1 1 1 1 1 1 13816 16315 1 1 1 1 1 1 1 1 31525 1 1 1 1 1 1 1 1 1 1 1 214.1357 *214.1427* 214.1427@1.1516538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1427 *214.1432* 214.1432@1.1509156 1 1 1 5067 13817 16399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20413 1 1 1 1 11824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12392 1 10166 1 1 1 1 1 1 1 1 11745 11767 1 1 28650 30628 39888 31296 1 1 2293 2536 1 1 1 1 1 1 1 1 1 1 1 1 6953 8805 1 1 1 1 21417 20652 1 1 1 1 1 1 214.1432 *214.1482* C11 H22 N2 S 15076 14650 1 1 1 1 1 2882 1 1198 1 1 15444 13315 1 1 12345 10761 14239 14985 4489 16839 10879 10345 1 1 10891 12852 25584 26022 29813 33750 4691 1 3956 1 24521 24118 26387 33848 13058 1 10551 1 1 1 1 1 7435 1 30312 30322 8525 1 18851 18757 1 1 1 1 1 1 1 1 1754 1468 14798 22278 1 1 23746 24286 15566 17916 37422 34469 23036 17733 1 11625 37266 34641 2055 1 32317 32844 62228 63283 1 1 214.1482 *214.1544* 214.1544@1.1407917 1 1 1 1 1 1 1 1 1 1 1 1 1 4115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19292 1 1 1 1 1 1 1 1 1 1 1 1 214.1544 *214.1582* 10-hydroxy-11-dodecenoic acid 1 1 1 1 4302 4343 3451 3511 3420 3450 4003 3866 3518 3341 3406 3447 3146 3100 3225 2749 4096 4308 3708 3900 3000 3683 3000 2512 2946 3188 4217 4253 1 1 4563 4440 1 1 3499 3735 4556 4205 1 1 3056 2647 1 3323 3515 3853 1 1 1 1 1 1 4116 4115 3735 3205 3662 3932 1 1 3601 3772 1 1 4041 4013 4004 4338 3385 3168 1 1 2959 2776 2808 2831 2858 2296 3428 3504 3700 3906 2015 2485 3120 2365 214.1582 *214.1636* 214.1636@0.89764184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1636 *214.9765* 214.9765@0.8112728 1 1 1 1 1 1 1 1 1 1 24349 24859 1 1 1 1 1 1 1 1 1 1 23877 22847 1 1 1 1 1 1 24235 25842 1 1 1 1 113524 118036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25434 20379 1 1 24166 24810 1 1 34489 35382 1 1 1 1 1 1 1 1 31153 36347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.9765 *214.9856* 214.9856@0.80874556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33309 27408 34538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.9856 *214.992* 214.992@0.8057832 1 1 1 1 1 1 1 1 24191 1 1 1 30782 30483 1 1 1 32044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12418 11877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18720 20344 1 1 214.992 *214.9966* 214.9966@0.8029265 1 1 1 1 25088 23527 1 1 1 24806 1 1 1 1 1 1 1 1 1 22622 18625 20269 1 1 1 1 29492 32047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29545 35429 1 1 1 1 1 1 1 1 1 1 40446 42456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.9966 *215.0046* 215.0046@0.77264094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0046 *215.0248* 215.0248@1.479069 1 1 9031 9087 5103 6569 1 1 1 1 1 1 1 1 1 1 1 1 10023 7841 1 1 1 1 1 1 5567 7309 1 1 1 1 4322 6786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15624 15324 1 1 1 1 1 1 1 1 1 1 1 1 7304 5769 1 1 1 1 1 1 1 1 9140 6091 1 1 1 1 22286 21924 1 1 7470 4471 1 1 1 1 215.0248 *215.0252* 215.0252@1.5579672 1 1 5180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0252 *215.0273* 215.0273@0.76173246 1 1 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0273 *215.0605* 215.0605@2.2884257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4683 5071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4306 1 1 1 1 1 1 1 1 1 215.0605 *215.072* 215.072@0.7866659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11382 11827 1 1 1 1 215.072 *215.0763* C13 H13 N S 22441 23385 7661 9597 8714 6884 10805 9906 1 1 5336 6354 3229 2881 5488 4988 8194 8655 8883 7938 7251 8679 4644 4838 9912 10139 10613 10233 9905 9185 6251 6296 1 11614 1 1 9025 11964 15622 15478 9142 8899 6893 8058 9464 9322 3591 4199 6631 6366 9875 9390 1 8547 10638 10652 11338 7328 10948 10543 2486 1491 7119 7722 4594 5413 5575 5164 4224 4285 1 4073 7994 7481 3970 1 7574 7946 21833 22858 13495 13563 10402 11245 1 1 1 7849 1 1 215.0763 *215.0823* 215.0823@1.9812319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6141 5852 1 1 215.0823 *215.0832* 215.0832@2.9266589 1 1 4450 4757 1 1 3232 3120 1 1 1 1 1 1 3949 4380 5051 5002 1 1 1 1 3176 3385 1 1 1 1 1 1 4121 4536 1 1 2840 3003 1 1 1 1 1 1 1 1 1 1 1 1 3331 1 10516 11052 5735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3869 4018 3945 3922 1 1 1 1 17929 17470 1 1 1 1 1 1 215.0832 *215.0833* C9 H14 Cl N3 O 5418 6079 1 1 4071 3952 3782 3941 1 1 4984 4963 1 2399 1 1 1 1 7781 7715 16284 15600 1 1 2871 2703 5212 5443 22335 21261 6659 6851 11537 13738 1 1 11489 11606 56246 55257 1 2639 2943 3376 32987 33019 10951 11319 2822 2901 7639 7275 1 1 2836 3232 19886 19984 15428 14569 1 1 3150 3166 6129 4527 5210 5136 1 1 2779 2727 3767 4466 9442 9002 5344 5443 33068 34839 18145 17296 4358 5066 11132 11143 71318 70537 1 1 215.0833 *215.0833* 215.0833@1.3974644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 3107 1 1 1 1 1 1 2343 1 2527 2509 1 1 1 1 1 1 2313 1 1 1935 1 1 1 1 3381 3135 1 1 1 1 1 1 1 1 1 1 3752 3442 1 2265 1 1 1 2264 3163 3341 3028 3151 1 1 1 1 1 1 1 1 2230 1 5265 5166 10415 9423 4684 5313 5724 5100 3425 2888 1 1 215.0833 *215.0837* 215.0837@2.568376 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4717 4587 1 1 1 1 1 1 1 1720 1 1 1 1 1 1 1 1 1 1 4075 4035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 5188 4953 1 1 1 1 1 1 1 1 215.0837 *215.1001* 215.1001@1.9772344 1 1 1 1 1 1 2451 8498 1 1 10727 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10016 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1001 *215.1039* 215.1039@1.9767091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 4175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1039 *215.1076* 215.1076@1.9990512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3109 1 1 1 1 215.1076 *215.1402* 215.1402@1.1530374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 1 1 1 1 1 1 1 1 1 1 215.1402 *215.1499* 215.1499@1.2049516 1 1 1 1 1 1179 6480 7014 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 11026 11512 1 1 9216 5997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 1986 1 1 1 1751 1926 2253 1 1 1 1 1 1 1 1 1 7281 4229 4401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 2703 2578 3939 3778 215.1499 *215.9974* 215.9974@1.198705 7798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5884 6028 1763 2597 1 1 1963 1 2399 3932 1 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.9974 *216.0001* 216.0001@1.1964598 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1489 1806 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 216.0001 *216.0034* 216.0034@1.1967452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 4211 4605 1 1591 216.0034 *216.0084* 216.0084@0.9400621 1 1 1 3225 1 1 1 1 1 3965 1 1 2736 2766 1 1 1 2349 2933 1 2712 2653 2457 1 3056 2796 3030 3233 2425 1 1 1 4839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0084 *216.0089* C9 H4 N4 O S 3106 1 1 1 24469 23827 10209 9786 16556 17365 7385 7636 3981 4033 1 1 3816 4063 1 12159 1 1 11941 12166 3107 3358 1 1 4979 4317 2691 3071 1 1 10741 10649 2830 1 1 1 20997 19866 1 1 5290 5648 24697 25761 6309 5992 1 1 1 2524 1 1 3274 3463 12519 12969 15277 12178 1 1 16484 15070 13824 13450 4354 7288 3920 4013 32210 31253 7779 7777 1 1 1 3207 1 1 1 1 13285 7678 1 1 11823 9097 216.0089 *216.0123* 216.0123@0.74553794 1 1 1 1 1 1 1 1 16524 1 1 1 1 1 1 1 1 1 11883 8426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0123 *216.0189* 216.0189@0.72690284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3221 1 1 1 1 1 1 1 1 1 1 1 1 216.0189 *216.0291* 216.0291@1.156279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3234 1 1 1 1 1 1 1 1 1 1 1 1 4530 4368 1 1 1 1 1 1 3607 4532 1 1 216.0291 *216.0309* 216.0309@1.0916969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3029 1 1 1 1 1 1 4668 5110 1 1 216.0309 *216.0391* 216.0391@2.3024707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0391 *216.0392* 216.0392@2.461696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0392 *216.0395* 216.0395@2.370631 1 1 1 1 1 14841 8649 2603 1 1 1 1 1991 7641 5353 1 1 7320 6620 1 1 3019 1 1 1 1 1 1 1 1 1 1 6604 23897 28241 4966 4483 5495 1 1 1 1 1 1 1 14839 1 1 4580 19142 1 1 5979 1 1 7598 1 1 34602 20731 1 1 1 1 1 1 14208 1 26873 1 25311 1 1 1 1 1 1 21335 1 11606 1 11235 1 1 1 1 1 1 15236 9561 216.0395 *216.0398* 216.0398@2.0431776 1 1 1 1 1 1 1 1 6454 1 1 1 3079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6618 1 1 12527 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 13292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5037 1 1 1 1 1 1 1 1 1 1 1 20001 8936 1 1 1 1 1 1 1 1 1 1 216.0398 *216.0399* C6 H14 Cl2 N2 O2 1 1 103067 1 1 1 164741 1 95768 1 172388 1 187023 196059 1 71925 1 1 1 156688 171125 167681 126702 1 1 1 1 1 150033 133969 180415 138805 204704 192133 1 2687583 224585 169188 135866 107393 142071 221419 2312711 216809 1 148011 211836 178327 177651 107349 1 1 1 1 1259001 167090 1 1 152031 1 147448 159814 1 1 241674 1 1772547 1 1 1 1 1 177417 276015 146905 306343 160599 262707 1 1 1 1 1 1 198061 143258 360661 1 1 149961 216.0399 *216.0402* 2,3-Naphthalenedicarboxylic acid 14348 15945 1 1 9880 15369 53703 39250 4403 1 1 1 5139 4502 1 1 8115 7269 8323 8497 1 1 9898 10434 1 1 13355 8971 8262 6978 23824 21494 13866 25907 4551 7710 2550 5857 1 1 5368 5428 4611 2473 1 1 17629 20678 8723 6855 1 1 1 1 7716 5606 1 1 1 3569 13727 15775 1 1 1 1 12556 10779 6525 8587 6840 6120 27444 27888 1 1 1 1 34191 40644 1 3989 1 9222 35230 64385 1 1 14746 12718 HMDB01992 216.0402 *216.0407* 2,3-Naphthalenedicarboxylic acid - 2.6398537 1868182 1 1572095 1568614 1674286 1708766 2182420 2315891 2264811 2287795 2099166 2095934 2161707 2243803 2978210 1745722 2213714 2244949 2793597 2460580 2576351 2659248 2435590 2532011 1 3151262 2353100 2313136 2443020 2469938 2455309 2684231 2171016 3825 2703457 6647 2834089 2828792 2242594 2195600 2477383 2425397 3264892 3461559 2517867 8879 2580779 2516316 9432 2661006 3902234 3878806 3138000 3033359 2449978 2397827 3308507 3347555 2790752 2853193 3630017 3684905 3051036 3067119 3426990 1 3800485 3908590 2613738 2589051 6029011 5960553 2214337 2317523 2864700 2847733 2947973 2857529 3137967 3328795 3159514 3377655 3481482 3709167 3151935 3109143 4068533 4135189 2536487 2582421 HMDB01992 216.0407 *216.0407* C6 H13 Cl O6 953149 151333 686530 798981 536448 874342 986476 1050265 958712 398099 1109820 221680 817979 853351 1 574786 198569 936663 1 1107483 966343 942174 1244307 1370485 1 356134 1252740 246505 1226028 1236287 1473192 1536526 1061955 1078182 1347954 1495618 1393159 1475844 974327 1131150 1146137 1098044 247559 2315261 1212715 1175142 1462196 1564406 1329024 1302176 1646633 1636061 1097573 1317742 259070 1455683 956439 205217 1017346 204784 1661196 1686129 206016 213469 1531570 365068 588417 388177 1035902 227341 1 1 1508748 1398921 1278382 1099068 1552491 1488656 192070 703334 100222 541646 1142537 872238 2163370 2232843 1315851 180970 1406284 1392254 216.0407 *216.0408* 216.0408@2.6456432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294353 1 1 1 1 1 1 1 1 1 1 1 2550213 1 1 2670840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0408 *216.0511* 216.0511@3.0298524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0511 *216.056* 216.056@1.8063067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7210 1 1 1 216.056 *216.0605* 216.0605@1.9131775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2301 1 1 1 1 1 1560 1 12817 1 1 216.0605 *216.0694* 216.0694@5.7491684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3579 3181 1 1 1 1 2536 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 2509 1 3523 3520 1 1 1 3069 3091 1 1 1 1 1 1 1 216.0694 *216.0726* 216.0726@2.9426298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23419 21392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57607 1 1 1 1 1 1 1 216.0726 *216.0771* 216.0771@1.9468541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 2627 1 1 1 216.0771 *216.0775* 216.0775@3.0817099 1 1 1 1 1 1 13563 9170 5012 7895 1 1 11593 11814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17263 12882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0775 *216.0779* 216.0779@1.1146017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4588 4490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13893 12992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19802 20692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0779 *216.0792* 216.0792@1.9722675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6260 3993 1 1 1 1 3376 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25313 1 1 1 216.0792 *216.0793* O-Desmethylnaproxen 78238 77160 32073 34041 27751 27429 39712 38288 8145 8294 20048 18721 11835 13905 13519 12969 53517 51736 28323 28065 28049 28517 13090 13030 29772 29480 28509 29113 26401 26764 18119 18304 1 81480 10309 9511 31096 31083 55298 54255 22178 23145 22649 22793 26892 28677 21000 20645 19340 19461 24068 22807 32087 32587 35184 34919 33733 32903 38171 37535 14105 13482 25703 26588 1 1 13004 14412 11598 11969 14519 13694 24329 24302 9817 9823 25055 24809 55497 58842 45006 43555 35491 36552 27893 27742 25089 25374 17065 17055 216.0793 *216.0798* O-Desmethylnaproxen - 1.3922814 2100 2199 2432 2204 5761 6448 2011 2154 1 1 4065 4447 1 1 1 1 1 1 13143 12963 4723 4967 3113 2970 5579 6254 11067 10406 9275 9651 1 1 7691 7806 1 1 7929 9313 8661 8577 3463 3508 6737 6961 14462 14326 6071 7118 13077 12607 6405 6124 9122 9571 5238 5806 16001 16103 9355 10343 9302 9136 9644 9923 12987 13207 12958 10908 6675 6851 6954 7098 6733 7524 3494 3520 8243 8220 20369 22306 45138 43337 21495 21605 20709 20977 13497 14361 4937 5238 216.0798 *216.0798* O-Desmethylnaproxen - 1.5370189 22706 26990 3432 3522 17629 16001 17838 16359 1 1 21386 23826 10060 9191 4356 3840 3414 3281 33533 32279 74856 74118 8158 8278 12942 12768 24898 24034 101779 98867 28814 30231 57151 58455 2091 2156 52521 53785 272060 273333 9510 12204 13321 14595 154641 154744 49167 50819 4691 5506 29143 30340 10574 9896 13257 13165 91362 94730 66936 67559 4001 3727 14138 13810 20150 21541 23919 22048 8885 9236 12403 12009 19343 19610 41075 41443 25073 25305 150282 163496 80940 79922 22159 21771 46059 43726 342327 340023 8880 8852 216.0798 *216.0811* 216.0811@1.4641438 4308 4123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0811 *216.0924* 216.0924@2.0186164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6820 7965 3236 2087 1 1 1 1 1 5363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0924 *216.0936* 216.0936@2.1234963 1 1 1 1 1 1 6772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5788 1 1 1543 1 6772 1 1 5652 5926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10824 1 1 1 1 3171 7230 1 1 1 1 216.0936 *216.0981* 216.0981@1.8561877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0981 *216.0982* 216.0982@2.0870638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4602 4468 1 1 1 1 1 1 1 1 6011 1 7818 1 1 1 1 1 7086 4757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13561 13132 5611 1 1 1 9787 11008 22159 19803 1 1 1 1 1 1 1 1 12597 11623 1 1 1 1 5021 5377 1 1 1 1 25463 28631 1 1 216.0982 *216.0987* 216.0987@2.0305896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5455 7665 1 12778 1 1 1 1 1 1 1 1 2512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0987 *216.148* 216.148@1.1495292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9267 8950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.148 *216.1553* 216.1553@1.1545477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11152 10745 216.1553 *216.1625* 216.1625@2.7312188 1 1 1 4162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1625 *216.1626* C13 H25 Cl 35423 34824 10304 10291 1 17407 22919 19763 46142 15852 22964 39430 19881 20374 58156 12752 19167 42629 1 82186 1 23558 27514 27630 27950 1 25835 23130 29980 29991 1 1 26063 24602 1 1 1 1 27626 1 1 52528 1 1 27425 28501 1 1 1 1 1 1 30578 1 1 1 1 28082 1 24854 1 1 1 43291 1 44199 1 1 35966 1 48231 1 46885 6228 1 1 1 1 1 16416 23501 15462 1 35945 1 1 1 53042 3339 1 216.1626 *216.1628* 216.1628@2.65173 1 1 25233 16533 1 1 43982 1 1 40681 40796 1 40995 43743 1 43024 44026 1 1 1 1 1 50291 1 68894 1 48077 1 1 1 1 1 1 47209 1 1 1 1 1 1 1 1 1 1 53062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1628 *216.1628* 216.1628@2.611262 1 1 1 5580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1628 *216.1648* 216.1648@1.1480244 1 1 1 1791 1 1 13716 10412 1 1 1 1 1 1 7645 7781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6965 1 1 1 1 1 1 1 1 1 1 1 1 7596 7176 1 1 1 10657 1 1 1 1 1 1 1 1 6805 8736 1 1 1 1 2566 10609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1648 *216.1671* 216.1671@1.1567842 1 1 1 1 1 1 1 1 6413 5912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 6594 1 1 1 1 1 1 1 1 1 1 1 3607 1 1 1 1 4251 15517 1 1 1 1 1 1 1 9631 10235 1 1 1 1 1 1 10041 1 1 1 1 1 2666 1 1 1 1 1 1 1 1 19253 3890 1 1 1 1 1 216.1671 *216.1705* 4-hydroxy lauric acid 12729 12931 9342 7559 13840 14605 1 1 1 1 10800 10618 11323 11745 1 1 9960 9646 19376 18441 16359 16312 12377 10922 10319 11242 11362 11460 26883 2202 21555 23327 17360 17904 1 1 18467 18794 24618 24203 9812 8754 11258 12453 15175 14871 12394 16197 2118 1859 18243 15491 1639 1 17111 16869 18062 16683 16944 19618 1 1 1 1 1 1 11333 11806 1 1 22359 22557 14600 12958 19009 19975 33868 27009 22411 23540 31063 28108 19959 1995 17120 20637 42207 42228 1 1 216.1705 *216.1706* 216.1706@1.1193383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1829 23920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1706 *216.2026* 216.2026@1.5384232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2895 3639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 1 1 216.2026 *216.2101* 216.2101@2.796517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.2101 *216.2135* 216.2135@2.658469 10253 10968 1 1 1 7953 12684 14102 1 14363 12982 12631 1 14202 18137 1 7644 14911 1 17899 1 1 13396 1 24494 32627 1 17428 1 1 1 1 11937 11520 1 1 1 1 13212 15102 1 9535 1 1 17584 1 1 1 1 1 1 1 1 1 1 1 5013 1 1 1 1 1 1 1 1 1 19557 1 1 1 1 1 1 1 1 1 1 1 6968 1 1 1 1 1 1 1 1 1 1 1 216.2135 *216.2144* 216.2144@2.7770536 1 4524 1 1 1 1 6372 6661 8851 5177 7847 6593 1 4948 1 3896 5459 4579 1 7375 1 8255 1 7788 8878 1 9085 7012 1 9996 1 1 8713 7054 1 1 1 1 8975 10127 1 6462 1 1 9467 8544 1 1 1 1 6657 1 1 9530 1 1 1 13006 6895 9029 1 1 10033 1 1 13682 1 1 1 10848 1 1 10572 1 1 1 1 14824 1 6925 5324 6832 1 1 1 1 1 15967 1 1 216.2144 *216.2162* 216.2162@2.7594957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.2162 *216.9699* 216.9699@0.81152534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.9699 *217.0378* C11 H7 N O4 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 2444 2470 1 1 2794 1 1687 1 1 2547 2568 2439 2309 2421 1 2649 1 3132 2192 2252 2397 1 2985 3362 2213 1725 2373 1 2487 2525 1 1 2120 2313 2806 2620 3468 3697 3279 3852 3917 3781 3187 3575 3340 2941 4107 4581 2338 2289 3710 3318 3635 3332 1 3448 6791 5899 2946 2576 3527 3538 3236 3185 3262 3190 4354 3579 4809 5141 4634 4278 4735 4163 3245 3042 217.0378 *217.0393* 217.0393@0.8998971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2942 2970 1 1 1 1 217.0393 *217.0398* 217.0398@1.3885489 2844 10090 1 3564 1 1 1 1 1 1 7791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9030 9915 1 1 1 1 1 1 1 1 1 1 34614 28065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16582 17981 1 1 1 1 217.0398 *217.0399* 217.0399@1.4292079 16345 1 7419 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 6978 1 1 1 1 217.0399 *217.0404* 217.0404@0.9879786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2612 2353 1 1 1 1 217.0404 *217.0408* 217.0408@1.2033228 8538 8186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 3361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 217.0408 *217.0416* 217.0416@1.5439417 7570 1 1954 6828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20180 20224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3181 3645 1 1 1 1 217.0416 *217.0428* 217.0428@2.3450518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0428 *217.0431* 217.0431@2.8076484 1 1 1 14993 1 1 1 1 1 1 1 56800 1 1 2807 1 1 1 65527 1 1 1 1 1 1 1 1 53561 1 1 1 1 1 6862 1 1 1 1 1 1 1 1 1 1 1 17839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51404 16265 1 1 1 1 1 1 1 1 1 1 217.0431 *217.0433* 217.0433@2.9327447 1 45559 1 1 1 1 1 1 1 1 1 1 1 1 25652 1 1 1 1 1 1 1 1 1 51741 54625 1 1 1 1 1 1 16800 10290 1 1 1 1 1 1 1 1 1 1 6211 6259 1 1 1 1 11786 13370 1 1 1 1 1 57239 1 54822 1 1 67407 71850 1 5460 1 100720 1 79329 1 1 1 1 1 1 1 1 76842 87591 54781 1 5025 4846 6815 6065 1 83872 1 1 217.0433 *217.0434* 217.0434@2.6747887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46179 1 1 1 1 1 1 1 1 217.0434 *217.0554* 217.0554@6.473371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4260 4461 1 1 1 1 1 1 4618 1 1 1 3364 4793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0554 *217.0632* C9 H7 N5 O2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3334 3634 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 2630 2500 1 1 1 2473 3378 3791 1 1 1 1 1 2484 3904 3629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2670 3049 4703 4458 2067 3886 7155 7210 1 1 217.0632 *217.0654* 217.0654@1.9671435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0654 *217.0685* 217.0685@1.5386733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4609 1 1 1 1 1 217.0685 *217.0762* 217.0762@1.0945799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 2101 1 1 1 1 217.0762 *217.0899* 217.0899@2.9542723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 1 1 1 1 1 1 11438 1 1 1 1 1 1 1 217.0899 *217.093* 217.093@2.9572496 1 1 4138 4106 3551 1 21272 13500 4419 4400 5436 5327 1 1 1 1 7299 7059 10908 10598 1 4217 7321 7094 1 1 5646 5194 1 1 1 1 1 1 1 1 1 1 1 1 5032 4495 1 1 5119 4747 1 1 1 1 3008 1 1 1 5165 5387 7873 8079 1 1 1 1 1 1 4202 1 1 1 6723 6727 1 1 1 1 4176 3131 1 1 1 1 5359 4863 1 10765 4617 4438 7115 6824 1 1 217.093 *217.0935* 217.0935@3.172641 1 1 1 1 1 1 9009 8167 1 1 3844 3998 1 1 1 1 1 1 6577 5721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4521 1 1 1 1 1 1 1 1 1 1 1 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 6405 6455 3568 1 1 1 1 1 217.0935 *217.9408* 217.9408@12.601809 1 1 1 1 1 4004 1 1 1760 1 1 1 1 5634 3488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9408 *217.9409* 217.9409@12.023321 1 1 1 1 1 2892 1 7154 1865 1 1 1 2623 3522 2015 1 1 1 8305 1 1 3095 1 1 1 1 1 1 1 1 6008 1 1 6202 1 5432 1 4899 1 1 1 1 1 1 1 3706 1 1 8570 2530 1 1 1 3902 1 2565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 3519 1 1 1 1 1 1 5013 1 217.9409 *217.941* 217.941@11.678119 1 1 1 1 1 1509 1 1 2206 1 1 1 5170 5134 2956 1 1 1 2210 1 1 3184 1 1 1 1 1 1 1 1 1 1 1 5513 1 1 1 1853 1 1 1 1 1 1 1 6236 1 1 1 2772 1 1 1 2789 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 217.941 *217.9411* 217.9411@12.4719515 1 1 1 1 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9411 *217.9412* 217.9412@12.203647 1 1 1 1 1 2412 1 1 4617 1 1 1 4493 1666 1697 1 1 1 4441 1 1 2348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4582 1 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 2317 1 217.9412 *217.9413* 217.9413@12.091842 1 1 1 1 1 1 1 1 2688 1 1 1 2440 5096 2549 1 1 1 1 1 1 5925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9413 *217.9425* C7 H3 Cl O4 S 4378 4561 5255 5153 5605 4806 6062 6409 5126 4961 5363 5580 4313 4004 3740 4660 4766 4937 5363 6309 5831 5683 3501 3501 4355 4611 4927 5045 4223 4600 5413 5411 5366 5703 2618 2575 5624 5368 5825 6177 5057 4438 5378 5423 6177 6868 7111 7054 6505 6241 8005 7996 5848 5387 6561 7626 8269 8768 7523 7807 7308 7646 6394 6054 9004 7605 5770 6446 6261 8402 5367 5278 6305 5946 6105 6411 8147 7328 8716 8693 7357 7571 7045 7482 7505 8671 4076 4395 7495 7633 217.9425 *217.9506* C10 H2 O2 S2 4696 4994 4148 4668 3344 1 1 2934 1 3545 4207 3849 4562 4577 4495 4058 3594 2988 7011 6115 7199 6918 4223 4770 1 3168 7578 6708 4623 5811 3211 4026 2906 4317 3359 3456 4068 3807 9305 9339 4449 4295 5521 5835 4008 1 5058 4108 2813 1 1 3311 3481 2924 1 3048 1 4023 3923 4037 3479 1 5253 4450 5347 4448 4653 4656 1 3764 7752 7262 4726 4871 1 1 4843 5910 7208 7620 4590 4691 3125 1 5204 5418 4660 4385 3755 4951 217.9506 *217.9826* 217.9826@0.9232414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9826 *217.9871* 217.9871@1.327819 1 1 1 3958 8432 8228 5651 5462 1 1 6983 4797 4277 5289 4843 4929 1 1 8389 8428 4603 4375 6748 6867 6758 5705 5598 7241 8399 5304 1 1 1 1 1 1 1 1 1 2573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9871 *217.9876* C10 H3 Cl N2 O2 26305 25866 8107 7970 33653 33145 64506 61636 16495 16330 27855 28769 19043 17853 15496 15396 29190 28544 39679 54300 11970 12122 2430 2478 11414 11718 25665 25117 10177 9995 19217 20188 32821 31046 10596 10147 11235 11060 15635 15255 9641 10570 8887 8914 19487 18623 2298 2281 7566 8019 36594 38342 3248 3462 11538 11089 15241 43755 1 1 9239 9799 3185 3225 35028 39504 27769 26722 8019 7414 22495 22945 12878 13930 7565 6895 19338 20266 29503 30337 12060 12297 5487 5363 42535 43853 6863 7310 14106 15140 217.9876 *217.9877* 217.9877@1.0075352 1 1 1 1 1 1 1 2991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9877 *217.9878* C10 H3 Cl N2 O2 - 0.98247033 24796 33560 1 1 11316 12041 34285 35520 16607 17558 82803 84679 9602 9950 5903 5487 7990 7423 62168 61304 8347 7947 19311 18782 3998 4045 1 1 3762 3582 1 1 5761 5210 150114 150457 5196 5844 19201 21843 17803 17699 3602 3269 40441 40041 3493 3760 2750 2590 1 1 10169 10471 7143 7331 36822 36327 2755 2596 5405 5411 6858 7981 42836 44794 15950 16496 19556 20920 27753 24692 3101 3022 5063 5309 49933 39777 6091 6362 11297 11042 15518 15024 70470 74702 1 1 50844 46545 217.9878 *217.9901* C7 H7 Cl N2 O2 S 5809 7808 1 2157 12707 12382 11999 11982 1 1 13364 13129 4181 4823 7815 1 8966 9671 11825 12397 4556 4829 1 1 1 3170 9735 10616 3327 3270 7597 7800 12796 11009 3804 3838 10650 4127 7433 7688 1 1 3258 3590 1 6378 1 1 1 1 11300 11728 1 1 4600 4810 1 18510 1 1 3677 9609 2905 2721 14570 12488 13300 9835 3908 3841 5795 6526 11626 4453 3320 3184 7496 9802 15471 18611 1 1 1 1 15614 15959 1 1 4362 1 217.9901 *217.995* 217.995@1.1958148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1346 1 1 217.995 *217.9962* 217.9962@0.8367405 1 1 2346 1 1 1 1 1 4606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4362 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9962 *218.0017* 218.0017@0.8482567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0017 *218.0234* 218.0234@0.7874982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2316 3962 1 1 1 1 1 1 3397 1 1 1 1 2991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4414 4912 1 1 1 1 1 1 2246 1 218.0234 *218.024* C8 H10 O5 S 8058 8311 11417 11311 34669 34305 29595 23454 51001 50535 17233 19787 12879 13422 20020 21311 27418 26838 43563 44661 3543 3000 29066 28849 11176 13335 3275 3440 12631 12280 4894 4585 17623 18422 22792 21967 10161 9795 5347 6298 38349 40073 6957 5540 12203 12901 21321 20425 28739 23909 2651 2647 5497 5304 9602 9580 2996 3066 18462 17748 9856 9539 1 3116 21841 21507 30935 29481 5881 5372 12771 13115 43298 40324 10306 9515 10435 11085 4950 4561 7631 8219 2672 2620 29042 29474 1 1 23334 24489 218.024 *218.0374* C8 H6 N6 S 1 244338 1 1 1 1 54452 1 1 1 1 351431 48040 46448 1 481966 66389 45477 883829 1 53481 1 56866 1 87158 1 1 261318 87306 81970 91407 62965 1 1 144480 1 57636 53431 111355 1 145095 161154 132037 73919 62493 1 87916 81767 1 94912 73679 97304 136525 63457 67811 73034 70040 311721 47741 149508 66561 107070 93190 95856 140684 123350 1 154133 113875 417746 1 1 1 57532 137242 63319 50329 84055 288351 246838 76822 82842 145221 139609 66363 1 89359 125971 1 85460 218.0374 *218.0376* 218.0376@2.417449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4699 1 1 1 1 1 676450 1 1 1 1 5388 1 1 1 1 1 1 1 1 1 1 1 5644 1 1 1 4228 1 1 1 4958 1 1 1 1 1 1 1 1 1 1 1 1 1 65485 1 1 13019 1 1 1 1 1 7174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0376 *218.0377* 218.0377@2.7758176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148008 1 1 1 1 1 272138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0377 *218.0397* 218.0397@2.0389953 5060 6194 1 1 1 1 1 16707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8736 10686 8626 8768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4114 17877 1 1 1 1 17871 1 1 1 1 1 218.0397 *218.0492* 218.0492@1.9782861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3446 1 3059 1 1 1 1 1 1 6717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5264 1 1 1 5683 218.0492 *218.0504* 218.0504@0.82284826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 1 1 1 1 1 1 1 1 1 1 1 218.0504 *218.0504* 218.0504@1.0405496 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0504 *218.0522* C10 H15 Cl O S - 1.9710993 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 1 1 1 1 1 2794 1 1 1 1 6568 1 1867 2192 3021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5891 4350 10382 5383 4676 5759 5963 2870 1 3088 4817 1 1 5155 5348 1 1 1 1 1 1 1 1 1 1 1 4069 1 1 1 2445 1 1 1 1 5561 1 7827 6985 1 1 10103 8572 2134 1 218.0522 *218.0539* 218.0539@3.2064738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0539 *218.0544* C10 H15 Cl O S 7092 7300 1 1 44278 46968 7839 8004 1 1 22997 27773 11366 8579 68425 67746 1 1 15942 25314 7689 3808 1 1 6525 1 1 1 7282 8399 5736 6455 1 1 1 3621 1 1 1 1 5336 1 1 1 58766 56865 1 1 6264 6623 226618 219830 1 1 1 1 6612 7332 1 1 5517 5705 1 1 98035 101073 66421 66324 1 1 64129 63587 1 1 6678 6499 17494 16168 1 1 1 1 6523 6933 8717 9791 5480 7759 1 1 218.0544 *218.0547* 218.0547@0.78181946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3833 1 1 1 1 1 1 1 1 1 1 1 218.0547 *218.0578* 218.0578@1.9762641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0578 *218.0756* 218.0756@1.9650816 1 1 1 1 1 1 12972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0756 *218.0877* 218.0877@1.1035405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3528 3030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0877 *218.107* 218.107@1.9676199 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.107 *218.1074* 218.1074@2.8954756 1 1 1 1 1 1 4490 4854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1074 *218.1105* 218.1105@2.5222754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3188 1 1 1 1 1 1 1 1 1 1 1 218.1105 *218.1138* 218.1138@1.189347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6457 1 1 1 1 1 1 1 1 4092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1138 *218.1143* 218.1143@1.7831509 1 1 1 1 1 1 7981 8003 1 1 1 1 1 1 1 1 1 1 1 1 3773 3585 1 1 1 1 1 1 1 1 10162 10453 4251 5627 1 6373 1 1 6987 6981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10145 8762 1 1 1 1 9697 9531 7915 8931 1 1 1 1 1 1 1 1 13750 14017 1 3255 9797 10833 4520 4746 1 1 1 1 20239 19770 1 1 218.1143 *218.1145* 218.1145@2.128783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5921 6588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7591 7976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6265 6319 1 1 218.1145 *218.1593* 218.1593@2.6427028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3655 1 1 1 1 1 1 1 1 3653 1 1 1 1 3995 1 1 1 1 1 1 218.1593 *218.16* 218.16@2.7226226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7800 3743 1 1 1 1 2804 1 1 1 1 1 1 218.16 *218.1602* 218.1602@2.7654974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 2459 1 1 1 1 4046 2472 2404 1 2410 4031 1 1 1 1 1 1 1 7822 1 2171 1 1 1 1 1 1 1 1 3279 7324 1 11152 3191 1 1 1 1 1 1 1 7331 7457 1 2984 3684 1 7805 14217 1 6189 1 1 1 1 5250 8396 1 7688 3105 1 1 1 1 3801 1 1 1 3582 1 1 218.1602 *218.1606* C6 H18 N8 O 1 1813 1 1 1 1 1 2197 1 4552 1 1 6069 4254 4178 1 1 2397 7411 6078 4820 9704 3032 3227 9207 15659 2972 1 6879 3086 4228 1 2916 1 3207 3372 1 3822 1 2206 2236 3742 16358 13245 1 1 1 7389 5824 3028 10114 3919 2482 19964 4790 9577 12074 3966 1 1 9084 17375 1 8252 4115 6188 12884 3993 1 3006 5102 31305 3651 1 4373 5319 7686 2678 3745 15044 2891 1 1 7579 1 1 9970 4606 4441 6409 218.1606 *218.2123* 218.2123@2.671467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5407 1 1 1 1 1 1 1 6393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6054 1 1 7461 6273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.2123 *218.9869* 218.9869@0.7145787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.9869 *219.017* 219.017@0.8160671 1 1 1 1 1 1 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.017 *219.0407* 219.0407@2.7783906 1 2224 1 1 27157 1 1 1 1 1 11353 1 1 1 16905 22680 23455 1 23568 1 1 1 7957 1 25275 17865 1 1 1 1 1 20027 1 1 1 1 1 1 1 1 1 19259 1 1 1 1 1 1 1 1 1 1 1 1 1 3405 27830 1 1 2730 1 1 38586 37089 1 1 1 45565 28393 1 39140 1 1 1 1 1 1 1 4687 1 15657 7980 33567 23640 45230 1 37037 33320 9309 1 219.0407 *219.0408* 219.0408@2.6477346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33698 1 1 1 38118 1 1 1 17099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11085 38630 1 1 1 1 1 1 75699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0408 *219.0428* 219.0428@1.9485939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 6651 7822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4895 1 1 1 1 1 1 219.0428 *219.0473* 219.0473@1.9613489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 3692 1 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0473 *219.0559* 219.0559@1.9731328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4851 1 1 1 1 1 1 219.0559 *219.0573* 219.0573@1.9681112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 6197 1 2886 1 3558 1 1 1 3307 3639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6233 1 1 1 1 1 1 1 219.0573 *219.0648* 219.0648@1.972708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0648 *219.0712* 219.0712@1.9732397 1 1 1 1 1 1 1 1 2743 2883 3257 1 1 1 1 1 2508 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 2798 4380 1 1 1 1 2297 3122 3457 1 1 1 1 1 1 1 1 4511 4403 1 1 219.0712 *219.0768* C8 H14 Cl N3 O2 4781 5075 5369 5359 3902 4174 8690 142318 1 1 1 3840 1 1 1 1 1 1 4113 5470 3521 3194 2871 2753 1 1 4045 4265 2945 2928 2955 2917 4926 5906 2701 2366 3258 3626 4729 5174 4800 4754 2551 2779 3954 4542 3219 2765 1 1 1 1 1 1 1 1 7161 6336 1 1 3116 3209 3943 3981 6783 6341 5589 5425 1 1 1 4205 2497 3033 1 1 1 1 7948 9611 6171 6403 1 1 8912 9013 1 1 4496 4524 219.0768 *219.1093* 219.1093@2.605302 1 1 1 1 1 1 1 1 6945 1 1 1 7781 10726 1 1 1 1 1 1 13831 1 11271 12545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9108 1 1 1 1 1 1 1 1 1 1 16326 17061 20838 1 1 1 1 1 1 1 1 1 1 9768 1 1 1 1 10302 1 1 1 1 1 1 1 22511 15056 1 1 1 1 1 1 219.1093 *219.1096* C13 H17 N S 1 4131 16857 8494 1 6472 4720 5331 3423 3545 8217 1 3843 5549 11864 1 5012 12301 13504 18477 10662 4896 6364 3647 1 1 1 1 1 13893 1 15856 13312 13543 12859 16364 1 1 7202 1 16268 1 1 1 8446 3744 1 22976 1 19743 6625 34860 1 14520 3236 3659 7928 8673 1642 19115 1 1 1 1 13759 1 1 1 15013 3932 1 1 16851 11776 7619 9105 1 1 1 1 1 1 7750 8491 1 1 39220 1 17936 1 219.1096 *219.1101* Pantothenic Acid 64646 63971 78977 87149 214705 216801 94669 89972 104602 107172 181673 182467 72478 67774 44500 52761 133195 125384 241856 235297 240295 260188 167428 174332 56703 57951 185056 181701 37981 21230 67172 57434 47745 45858 42993 38108 71535 70093 280609 288381 79852 94151 69579 68203 129058 125453 97324 68240 53144 32712 105679 73907 60585 42283 93555 91157 149431 151483 47363 46926 35564 35821 44752 43888 216788 226681 131495 137078 173703 175885 109140 108858 75993 84805 182913 189278 74314 75903 89359 89851 147830 146565 307141 320468 91151 91894 211215 247181 37174 59500 219.1101 *219.2358* 219.2358@2.530408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.2358 *219.9379* 219.9379@12.10098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4755 1 1 1 219.9379 *219.9396* 219.9396@12.275857 1 1 1 1 1 1 1 1 1 1 1 1 4054 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8221 2993 1 1 3360 1 1 1 219.9396 *219.9401* 219.9401@12.622211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8619 1 1 5821 1 1 1 219.9401 *219.9403* 219.9403@11.709483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6229 2935 1 1 3086 1 1 1 219.9403 *219.9446* 219.9446@11.113821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9446 *219.9475* 219.9475@11.175371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9475 *219.9648* C10 H4 O2 S2 12783 13091 13037 12970 12347 12038 10224 9657 12286 13965 13041 12136 11341 11008 11342 11840 12363 11209 11963 12643 12266 13110 12289 12000 10870 10268 12179 12562 11699 9617 11659 12276 12309 12490 1 11094 11150 11008 10859 17442 11428 11627 13085 12596 13563 12581 12933 12037 13330 15243 13445 12570 13822 10744 11707 12879 12819 14181 13296 12824 14770 13773 13389 12496 13845 12697 14726 11659 11371 11977 12509 12069 13262 11721 10582 11623 12367 12867 11698 11428 11551 12016 9784 11989 12370 12482 9011 9699 13954 14868 219.9648 *219.9667* 219.9667@8.577377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9667 *219.9667* 219.9667@8.7772045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9667 *219.9669* 219.9669@1.9562368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3785 1 1 1 1 10450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9669 *219.9673* 219.9673@9.638759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9673 *219.9674* 219.9674@9.67105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9674 *219.9674* 219.9674@4.47047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9674 *219.9675* 219.9675@5.246707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7538 1 1 1 219.9675 *219.9677* 219.9677@5.016875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8479 1 1 1 4853 1 1 6996 1 1 1 1 1 1 1 1 1 1 1 1 4302 1 1 1 1 1 1 1 1 1 1 1 1 4467 6329 1 1 9341 1 1 1 1 1 6978 5213 1 1 6509 1 6481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6750 1 1 8127 1 6505 1 1 1 219.9677 *219.9677* 219.9677@4.046947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3860 1 1 1 3553 3174 1 2470 1 1 1 7925 1 2913 1 1 4342 3948 1 1 1 3322 1 1 1 1 3099 4551 1 1 1 3300 1 3672 3451 4479 1 1 1 2819 2905 1 1 1 1 3575 1 1 3058 1 4628 3834 5384 2659 1 1 4880 3711 1 1 5339 3998 219.9677 *219.9679* 219.9679@6.627887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9679 *219.968* C7 H8 O2 S3 6491 3401 10507 12743 8601 1 2501 16057 11674 8069 5218 7479 6797 17883 10038 9619 18892 8212 6935 3739 13241 6559 5497 9387 5066 20081 13302 15800 6353 16685 7991 9937 1 12768 9269 8678 9485 3435 14444 18220 3228 12053 15824 1 9012 6047 20569 20881 9614 20132 7061 8298 20718 14898 6477 6181 9108 8270 21380 9115 6984 8698 1 1 3574 7965 3018 1 22735 9883 6706 2576 10603 6949 4368 10106 13711 18689 8664 7017 14047 8049 1 22736 4034 23109 13358 9157 20386 8794 219.968 *219.968* C7 H8 O2 S3 - 6.3704767 11863 17314 7307 16905 18101 8444 9303 17742 7827 10182 4936 15993 8331 5167 10851 13817 18610 16851 4329 7258 7300 9063 7323 8019 1 8073 1 14657 1 1 14416 1 9127 10779 18425 8635 8044 7310 1 4526 1 9183 7913 1 21080 13254 16376 1 16649 7910 1 13447 19478 12068 9628 9661 9314 23822 15930 25004 8510 6183 1 15856 15858 1 11169 18664 7465 1 10118 1 16320 5460 1 1 1 1 4129 1 7904 15146 12175 6512 1 1 21235 19693 4519 20445 219.968 *219.968* C6 H4 O7 S - 6.5597897 1 1 6748 1 1 8547 10936 5011 6334 1 7814 1 7778 1 1 10372 1 1 7636 19708 10099 9405 11248 9216 13952 8053 1 11527 11841 1 5242 1 7388 7817 9058 10852 8358 9571 1 1 1 7177 8743 1 1 8409 11718 12840 4501 5442 9959 1 1 7068 1 8285 15212 1 1 17291 10246 15466 1 1 12799 14654 7485 1 1 12906 6700 19338 1 1 1 1 1 1 10729 1 1 7115 9785 10107 1 15860 1 1 4938 9870 219.968 *219.968* 219.968@0.6550309 1 1 1 1 9925 4867 1 1 7931 1 1 7198 1 1 4512 6009 1 1 1 1 1 1 1 7066 1 1 1 8801 1 8190 1 7901 3441 1 1 1 1 1 1 10378 1 6607 5105 10402 1 4737 1 7246 1 1 1 8136 1 1 1 7205 1 1 1 6619 1 6447 9216 2171 5333 6420 2620 1 1 1 1 1 5271 6485 1 1 1 1 1 1 1 1 1 5727 1 1 1 9784 1 1 219.968 *219.9681* C7 H8 O2 S3 - 5.873025 1 1 1 1 1 2555 22063 8058 4725 1 1 1 10778 12309 6082 1 1 1 3285 3826 1 5178 1 11233 5272 14509 12493 1 1 6030 12926 1 9933 8088 1 7829 7418 14061 1 1 1 1 1 1 1 10520 1 17041 13317 4908 10453 1 11181 13232 6591 4148 1 1 8939 16223 15678 1 1 1 4904 12892 14457 1 9907 1 15612 1 9087 1 1 1 15307 1 8270 1 11705 9596 12325 6365 12952 20900 17566 22171 5640 8494 219.9681 *219.9681* C6 H4 O7 S 5944 12541 8200 7514 1 10563 6487 9255 7289 13453 16912 9787 7390 18869 18841 8299 1 1 17203 4533 8465 8209 5148 9482 9523 10031 15104 6759 8896 11106 8843 15932 4943 8680 1 5077 7607 5652 8141 22336 20843 5369 10511 10417 17868 9069 10184 9655 9590 9285 10430 21445 9723 17318 12334 6931 9491 24499 21121 6427 17167 10511 9402 12573 7740 8671 10913 9149 15430 7740 14065 7586 17307 1 1 8234 7891 10734 9514 13162 11667 8200 11022 11740 8998 9284 24382 23004 17600 9391 219.9681 *219.9681* 219.9681@7.5345864 1 1 1 6824 1 1 8080 6294 1 1 10453 8094 7555 1 6423 1 1 1 11000 1 1 1 1 5707 1 11388 1 1 1 1 1 1 1 1 1 1 1 9709 1 1 1 1 1 1 1 1 1 5700 11109 1 1 1 7630 1 1 5789 1 1 8050 1 1 1 1 1 1 1 5819 10369 1 1 14174 15053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7185 1 1 1 219.9681 *219.9681* 219.9681@6.4223747 1 1 1 1 1 4769 1 1 2902 1 1 1 4293 1 1 1 1 1 15157 1 1 8270 1 1 1 1 1 1 1 1 8843 1 5573 4010 1 3144 1 14722 1 1 1 10451 1 1 1 1 1 1 7279 6497 1 1 1 1 1 2565 1 1 1 1 1 1 1 1 1 1 17766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8291 1 1 1 1 1 1 9824 1 219.9681 *219.9682* 2,4-DICHLOROPHENOXYACETIC ACID 3667 4931 5642 5729 5644 1 3120 7066 4358 1 5142 3474 6625 4214 5135 4848 7526 6393 4564 4166 3905 7637 9374 4666 9782 6366 5392 4211 7372 6981 6521 7328 7765 2598 4602 6798 4279 2697 6417 1 8373 7287 5168 6930 4590 4737 16120 6891 6257 1 5839 4343 5845 9124 5562 4171 3527 6557 8441 4690 2833 2883 1 5514 4856 5681 2357 5586 13868 5793 6915 4736 6243 7162 4496 4263 5440 4837 3975 1 5676 4115 1 1 3558 6964 4594 7638 7191 13884 219.9682 *219.9682* 219.9682@6.801265 1 1 1 1 1 1 4956 4053 1 1 1 1 1 1 1 1 1 1 1 1 1 7531 1 1 1 1 1 1 4690 1 1 1 11222 9656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7689 1 1 1 1 1 1 6177 1 1 1 1 1 1 1 1 10425 1 1 1 1 1 6854 1 1 1 1 1 1 1 1 1 1 6622 11065 1 1 1 1 1 11452 13687 219.9682 *219.9682* 219.9682@6.5993395 1 1 1 1 1 1 1 1 8379 1 1 1 1 1 1 1 1 1 1 1 1 4222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16079 1 1 1 1 1 1 1 1 1 1 1 9471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9682 *219.9683* 219.9683@5.9883623 1 1 1 1 1 8689 1 1 6570 1 1 1 2983 1 1 1 1 1 11682 1 1 13717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14502 1 1 1 1 1 6640 1 1 1 1 1 1 1 1 1 1 15432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14885 1 1 1 1 1 1 1 1 219.9683 *219.9684* C7 H8 O2 S3 - 5.5315366 5560 11770 7097 7670 14799 3608 2855 5738 4933 5823 1 1 8360 18001 12145 12326 1 4643 9684 17310 5321 10113 1 8558 15806 10314 11360 1 6275 8895 21059 20199 1 7274 6533 17761 9949 7223 1 7684 1 17804 3209 1 1 1762 8894 11610 8888 8805 4931 11033 8356 18516 8390 4194 1 15687 15899 9453 17931 11318 1 1 9100 9508 3698 1 1 16880 1 19467 1 1 14158 18899 18966 15313 14449 1 1 11561 1 9665 21093 1 10066 23446 6283 15779 219.9684 *219.9684* 219.9684@1.6080378 1 1 1 6256 1 1 1 1 3859 1 2859 1 5280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3183 1 1 1 1 1 1 1 5460 4895 1 1 1 1 1 1 1 1 1 1 1 5983 7477 1 1 1 1 1 1 1 1 1 7123 1 1 1 1 1 1 1 1 4245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9684 *219.9685* 219.9685@6.0462656 1 1 1 1 1 5309 1 3639 7778 1 1 1 10107 11887 7945 1 1 1 13535 13988 1 8958 8939 1 1 10827 12676 1 1 14533 6800 1 7659 11522 1 1371 10578 4528 1 1 1 6915 1 1 1 10969 1 1 2273 12246 15289 1 1 3884 5771 3723 1 1 13092 1 11177 1 1 1 1 1 7203 1 1 1 3742 1 1 1 1 1 1 1 1 1 1 7152 1 1 17096 20717 1 11793 1 1 219.9685 *219.9685* 219.9685@7.1867714 1 1 1 1 1 1 5365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9685 *219.9687* 219.9687@4.0322456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2335 1 1 1 1 1 1 1 1 219.9687 *219.9689* 219.9689@1.3203931 1 1 1 1 3019 6093 1 7516 8440 1 2905 1 1 1 1 1 1 1 12378 1 1 1 1 16069 1 1 11219 1 1 5220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9689 *219.9689* 219.9689@5.394163 1 1 7762 1 1 1 3416 1 1 1 2981 1 12302 1 1 1 1 1 1 1 1 1 1 18064 1 1 1 1 1 1 11951 1 1 17053 1 4757 1 6265 1 1 1 1 1 1 1 1 1 1 8275 1 7877 1 1 3939 1 8672 1 1 1 1 1 4112 1 1 10546 1 14936 1 1 1 1 1 1 1 8390 1 1 1 14329 1 1 6324 1 1 2826 1 5500 1 1 1 219.9689 *219.969* 219.969@0.9200712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.969 *219.9693* 219.9693@1.3399749 1 1 1 1 5389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9693 *219.9721* C6 H5 Cl N2 O3 S 1 1 10699 10841 1 1 1 1 1 1 1 1 1 7956 1 8855 1 11359 1 1 8400 8293 1 6290 7841 6972 9921 9800 7489 7485 5179 8543 5791 1 5545 5087 1 1 1 9899 1 1 7837 7335 1 1 1 1 1 8831 1 4100 3154 3099 6494 6728 1 1 6651 6768 12036 7944 3356 4625 1 1 1 1 6819 5941 1 1 9628 10133 6243 8514 1 1 1 1 1 1 4536 4891 1 1 9818 8141 1 1 219.9721 *219.9722* C11 H5 Cl O S 8933 1 1 5770 8590 10248 1 1 7469 1 5684 7091 8179 1 13148 1 15052 3239 9256 1 1 1 1 1 1 1 1 4726 1 1 1 1 1 1 1 1 7437 1 13454 1 6513 7912 1 1 12802 12919 1 8052 7697 1 6208 1 1 1 3392 5386 5133 1 1 1 1 1 5277 5743 7590 1 8655 6246 1 1 4109 6530 1 1 1 1 1 8062 4543 4826 8906 8187 1 1 1 1 1 1 3564 10955 219.9722 *219.9827* 219.9827@0.84782696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9827 *219.9951* 219.9951@0.79711246 1 1 1 6414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3982 1 1 1 3051 2956 1 1 1 1 1 1 3505 3866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 1 2865 1 1 1 4200 1 1 1 1 1 1 1 3629 4044 1 1 1 6478 1577 1 1 1 1 1 1 1 3516 3988 1 1 1 1 2844 1 219.9951 *219.9985* 219.9985@0.7903102 5648 1 1 1 1 1 16561 17716 1 1 1 1 8903 8181 1 1 1 1 1 1 1 1 1 10571 1 1 1 1 1 5351 1 1 20433 1 1 1 27369 1 5653 5274 15829 13492 1 1 1 1 33064 33476 14058 14841 1 1 1 1 1 1 6260 5814 1 1 1 1 1 1 7738 1 1 1 1 1 1 1 1 1 1 1 6619 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9985 *220.0034* C8 H12 O S3 1 6843 1 1 14694 17296 43475 43550 21692 30628 10373 9012 31359 14649 43593 38711 11342 10713 1 1 1 1 15319 9584 1 1 1 1 4025 1 1 1 1 4169 7871 18223 1 24820 1 1 16874 19945 1 1 27281 27528 17839 14738 23612 27981 1 1 1 8894 1 1 1 1 18748 18904 22293 21273 1 1 17112 26028 11825 7969 1 1 1 12363 19841 20491 16534 17036 1 1 20207 25667 14580 9552 1 5370 18841 18910 21631 16652 10401 8884 220.0034 *220.028* 220.028@1.9615061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 1 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.028 *220.035* 220.035@2.506 1 1 1 1 1 1 1 21938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.035 *220.0391* 220.0391@1.9452008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0391 *220.0416* 220.0416@2.7025862 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 12288 6588 1 2673 1 1 1 16084 1 3253 1 14293 1 4735 1 1 1 1 4859 1 1 1 1 1 10968 1 1 1 1 1 15664 1 1 1 8880 1 2023 14656 1 1 1 15002 1 1 1 7583 4144 1 13081 1 1 1 1 1 1 1 1 1 4002 5963 1 2440 1 1 1 1 1 1 1 2141 15038 2562 220.0416 *220.0419* 220.0419@2.6464224 1 1 1 1 1 1 1 1 1 1 1 1 1 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 1 1 1 1 1 1 1 1 9284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3888 1 1 1 1 1 1 1 1 1 1 220.0419 *220.0521* 220.0521@3.2321072 1 1 1 1 1 1 1 1 1 1 4261 1 1 1 1 1 1 1 6822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0521 *220.0578* 220.0578@1.9688603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0578 *220.0637* 220.0637@1.2976415 1 1 1 1 1 1 1 1 6299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0637 *220.0637* 220.0637@1.9722745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0637 *220.0701* 220.0701@1.2801493 1 1 1 1 1 1 5383 5484 1 4512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6390 6080 1 1 1 1 1 1 5765 5843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3092 1 1 1 1 4501 5880 8976 9074 1 1 220.0701 *220.0701* 220.0701@1.9671068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0701 *220.074* TUBAIC ACID 19293 21502 21188 22197 16546 16953 38203 34333 10131 9519 13374 13481 5287 3999 6883 6457 9462 9777 20387 22945 15150 15080 12585 11362 1 1 15439 16294 12522 12306 12897 12717 21641 22367 10722 10219 13431 15134 19337 20700 18795 17491 11278 11597 14877 15226 11481 10789 19462 19454 21379 20892 8393 9153 13319 13158 25940 25796 10087 1 12252 11676 16042 15271 26665 26871 22398 23045 10380 10403 17134 17649 12215 11869 9109 9237 11970 12155 35957 38924 27114 26707 18425 17378 34968 34911 15847 15529 18429 18569 220.074 *220.0779* 220.0779@1.1234 1 1 1 1 1 1 1 1 1 1 3386 1 1 1 1 1 1 1 1 13865 1 1 4090 4304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4104 4696 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0779 *220.0821* 220.0821@1.1345586 1 1 1 1 26901 1 1 1 26060 26269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0821 *220.0939* 220.0939@1.4819261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0939 *220.111* 220.111@1.0931307 1 1 23541 24222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 220.111 *220.1124* 220.1124@2.5545568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6122 1 220.1124 *220.1439* 220.1439@1.1108782 1 1 1 1 1 1 1 12785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12471 1 1 1 1 1 1 1 15284 1 1 1 1 1 1 1 1 1 1 1 1 1 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1439 *220.1806* 220.1806@1.0461009 4415 4057 1 1 1 1 3718 3678 1 1 3152 3418 1 3351 1 1 1 1 1 1 1 1 1 1 1 1 23032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22165 2941 2817 51789 4488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1806 *220.8512* 220.8512@0.7519918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11485 1 1 11027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2821 1 1 1 6137 1 1 3673 1 10037 1 2451 1 3988 3912 1 1 1 1 1 1 220.8512 *220.8513* 220.8513@3.239772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1507 1 5711 5917 1 1 1 1 1 1 1 1 1 4008 4462 1 5274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5617 1 2281 1 1 1 1 2083 6095 1 1 1 1 1 6524 1 1 1 1 1 1 8147 4833 220.8513 *220.8514* 220.8514@0.67055887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.8514 *220.8517* 220.8517@1.149585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14941 1 4441 1 1 1 1 1 1 3185 27349 1 1 32543 61766 41897 30969 52348 16965 31338 1 45833 52013 1 53143 52345 1 29598 55546 50149 40231 44306 32507 55117 47137 29605 52305 49796 29976 12533 53747 50048 15103 22503 6711 1 24953 51915 30699 30024 46883 47612 1 1 27925 52447 52660 43205 1 30801 39637 28636 50905 49249 27364 1 59260 33991 57877 61842 220.8517 *220.8518* 220.8518@1.0206674 1 1 30206 30868 1 32791 10575 11095 31292 30547 1 1 32036 27258 22534 1 27224 16776 19298 11208 6224 12607 8069 17730 1 18894 13158 16046 8648 5197 9484 3254 48701 13014 3145 3368 5293 6789 42627 2299 3442 4949 5665 3751 1999 2267 54486 2150 2378 2948 4921 3800 4056 3629 4127 7575 5280 4917 3981 4305 6486 9474 9114 5778 5517 5564 4590 8269 7821 10175 3705 3988 7343 5028 6804 4062 7818 5418 5770 8063 8037 4296 4654 7606 6526 3662 3408 3390 3845 5644 220.8518 *220.8518* 220.8518@1.2336642 33921 40449 23331 23323 24194 21104 33234 34184 22196 22173 26221 16867 16972 16271 15014 17041 15946 13631 15521 16158 8810 15034 18373 17934 13167 12869 15725 15975 16210 10200 17854 32088 34660 38077 34535 32868 36227 33733 29051 30881 35083 32173 30694 32821 27579 28212 29235 17794 34077 34676 25497 29318 30960 29616 25739 31173 28451 30394 21343 62823 32905 31724 29430 31263 47710 38246 33739 16056 33935 32326 30392 31513 32578 29229 32884 32462 24940 29875 30322 27067 33085 34628 29704 30932 33951 35948 26489 28171 28778 27622 220.8518 *220.8518* 220.8518@0.8502438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5432 1 3870 6582 2570 3518 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5160 2664 4974 5246 1 4830 3597 2949 3761 3239 4977 1 4374 3621 2825 3915 1 3335 5015 1 7445 5454 1779 8230 4055 5727 4457 4788 1 1 1 4404 1 4190 220.8518 *220.8518* 220.8518@1.5292604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3340 1 1 3809 1 1 1 1 1 1 1 4069 1 1 1 1 1 1 1 1 1 4923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.8518 *220.8519* 220.8519@1.6462554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9460 10449 9222 8437 8742 6411 8977 8783 8161 8134 8658 8116 1 5234 1 7547 6589 7649 6916 2927 9592 9498 7353 6338 7220 6733 8046 7062 6942 8490 4635 2017 1 5499 10121 9817 17246 11156 8763 9856 7636 9863 17629 8766 10306 10290 8799 7798 10357 10244 8775 10003 9120 9149 10637 8416 4370 11134 9368 7553 220.8519 *220.8519* 220.8519@1.1867137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.8519 *220.8519* 220.8519@3.3258324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3824 1 1 1 1 1 1 1 1 1 1 3584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.8519 *220.852* 220.852@2.0965273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3991 1 1 1 1 1 1 1 1 1 1 1 220.852 *221.0488* 221.0488@2.1071095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6021 6151 221.0488 *221.1047* 221.1047@2.3946826 1 1 1 1 1 1 14427 15457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16147 17168 1 1 1 1 221.1047 *221.1059* 221.1059@2.5069246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3645 2753 1 1 1 1 221.1059 *221.1531* 221.1531@1.0937438 5561 3333 1 1 1 1 1 1 1 1 1 1 2143 2106 1 1841 2628 6410 3873 3947 1 1 2173 2191 1 1 1 1 2789 2667 1 1 1 1 13428 1 1734 1 1 1 2625 2555 1 1 1 1 1 1 1 1 4003 2768 1909 1 1 1959 1 1 1 1 6227 1 1 1 1 1 1408 1 1 1 1 2139 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10808 11021 221.1531 *221.1575* 221.1575@1.0308506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1575 *221.948* C7 H4 Cl2 O4 35221 34241 27018 30826 20360 20575 30698 29845 29397 29939 32031 32748 19867 17744 34263 32130 15890 15745 9505 15821 39188 41123 43114 46166 32819 34121 30149 30604 41227 42301 26386 28486 42407 41935 22781 24467 46483 45273 54413 53807 52151 52095 24698 20648 29991 29904 15614 9230 29362 29249 33498 35088 28331 26979 40046 43041 37864 37629 43897 43532 28503 29125 19481 19825 19973 20581 43939 41649 31837 31823 24934 13840 26407 25862 31025 30439 41026 40952 36306 37475 40112 40721 29134 28979 39258 23451 69093 67355 20465 20398 221.948 *221.9836* 221.9836@0.9500993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 1 1 1 1 1 1 3442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.9836 *222.0135* 222.0135@0.7696655 1 1 1 1 1 1 1 1 1 1 1 1 1 4255 1 20275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0135 *222.0145* 222.0145@0.7816064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0145 *222.0186* 222.0186@2.978326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15378 1 1 1 1 1 1 1 3143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0186 *222.0186* 222.0186@3.7197745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0186 *222.0187* 222.0187@3.1697564 1 1 1 1 1 2270 1 5117 3569 1 1 1 11862 1 1729 1 1 1 8003 1 1 5037 1 1 1 1 1 1 1 1 6434 1 1 1 1 16510 1 2041 1 1 1 1 1 1 1 10357 1 1 1 7285 1 1 1 1647 1 1 1 1 1 1 1 1 1 1 1 1 5774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4190 1 1 1 1 1 1 3966 1 222.0187 *222.0187* 222.0187@3.4990923 1 1 1 1 1 6698 1 23609 12403 1 1 1 26575 36053 24811 1 1 1 31738 8691 1 5397 1 1 1 1 1 1 1 1 14712 1 1 17081 1 9365 1 27453 1 1 1 1 1 1 1 2985 1 1 29312 6400 1 1 1 10846 1 5254 1 1 1 1 1 1 1 1 1 1 8621 1 1 1 34260 1 1 1 1 1 1 1 1 1 1 24582 1 1 1 1 1 1 3213 1 222.0187 *222.0187* 222.0187@5.3091426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3528 1 1 1 1 1 1 1 1 1 1 9824 11466 3056 1 3978 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2488 1 222.0187 *222.0187* 222.0187@3.2638783 1 1 1 1 1 14196 1 1 5699 1 1 1 7651 1 9807 1 1 1 2841 1 1 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 222.0187 *222.0187* 222.0187@3.6104069 1 1 1 1 1 5321 1 1 1 1 1 1 24103 41563 9382 1 1 1 1 1 1 12813 1 1 1 1 1 1 1 1 6063 1 1 13087 1 1 1 8072 1 1 1 1 1 1 1 11854 1 1 1 3186 1 1 1 9802 1 4431 1 1 1 1 1 1 1 1 1 1 12497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5496 1 222.0187 *222.0187* 222.0187@3.7480512 1 1 1 1 1 4641 1 1 1 1 1 1 1 7572 1 1 1 1 1 1 1 10204 1 1 1 1 1 1 1 1 13950 1 1 1 1 1 1 8192 1 1 1 1 1 1 1 5147 1 1 1 11403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21920 1 222.0187 *222.0188* C7 H10 O6 S 34601 19146 1 1 35745 31742 1 1 1 1 73228 68570 1 1 11852 1 1 1 37973 24352 24703 36830 1 1 1 1 14734 1 49295 37651 1 1 49552 56411 1 1 1 19155 10264 1 37830 43944 64667 63640 32686 22970 77292 1 4062 17366 1 1 1 14989 39387 39841 1 1 1 24006 1 1 33135 44187 30755 43474 41722 27916 1 37912 24446 1 1 47955 1 1 1 1 1 1 10956 9176 1 1 19129 21089 1 32789 2725 1 222.0188 *222.0188* 222.0188@5.222176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3996 4789 1 1 1 1 1 1 1 6960 1 1 1 1 6576 1 1 1 1 1 4903 7770 5330 1 1 1 1 1 6973 4400 1 4190 1 4328 1 1 6815 1 1 1 1 4105 1 5579 1 1 5507 1 1 1 1 1 15119 11953 8004 1 1 5776 1 1 1 1 1 7874 6470 1 1 1 1 1 9119 1 222.0188 *222.0189* 222.0189@3.9460683 1 1 1 1 1 1 1 5510 12151 1 1 1 28711 14848 5385 1 1 1 8343 1 1 5099 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 1 10130 1 1 1 1 1 1 1 8560 1 1 3503 1 1 1 1 4035 1 4090 1 1 1 1 1 1 1 1 1 1 3742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20641 1 1 1 72394 1 1 5318 1 222.0189 *222.0189* C11 H10 O S2 2883 4268 2763 3080 2664 3901 1 3045 2211 1 4728 7218 4312 3624 4973 5714 5618 5670 5806 9530 7557 5757 4709 3870 7628 7615 6287 10438 7856 8043 5286 6079 7556 8736 3486 5013 8570 10117 7674 9559 6804 4897 6922 6584 7175 10825 9242 7350 4185 5325 6190 5737 6268 7008 6565 9987 7329 7823 7617 10064 6658 4147 6967 5398 2678 8833 8916 12039 8312 8554 7278 8208 8299 8423 6501 4614 7366 5760 12620 10524 13022 11778 7377 6700 11895 9557 12635 1 7866 10236 222.0189 *222.0189* C11 H10 O S2 - 5.1221366 3958 1 1 3453 1 1 1 1 1 1 4786 3932 1 1 3513 4241 4070 4313 5325 6321 5874 4260 4201 4092 4328 4397 1 5107 5372 5330 4009 4168 7451 6141 6048 6758 1 6888 2509 4500 6167 1 1 1 5998 6736 2092 5260 5677 5634 5429 6543 5028 3727 1944 7360 6879 6343 7394 6185 6392 3481 5108 1 4752 1801 10278 8294 5569 7096 10578 8749 9016 9455 6176 1769 1 8847 10107 8439 9529 10477 5156 7507 8711 8121 8377 1 10747 7743 222.0189 *222.019* 222.019@2.7786229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4293 1 1 6850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15584 1 1 1 1 1 1 1 7603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17687 1 1 1 1 222.019 *222.0191* 222.0191@3.1831906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2492 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0191 *222.0193* 222.0193@4.8174644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6698 1 1 1 1 1 5483 1 1 1 1 1 1 1 1 1 1 1 1 10205 8607 1 1 1 1 1 7510 1 1 1 1 1 1 1 1 1 1 1 1 6221 6699 4856 7450 1 1 1 1 1 4772 5630 3474 5845 1 1 1 1 1 1 1 9686 6350 1 1 1 1 11916 11932 7929 1 1 6490 222.0193 *222.0195* 222.0195@2.716319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88707 51629 1 11179 1 1 1 1 52224 51726 12025 18400 1 1 11566 17676 1 1 1 22132 67651 83830 5660 9413 1 1 1 9558 1 1 10824 1 1 1 1 1 11293 7288 6536 1 8713 1 1 1 6417 5507 22911 21140 35063 28874 1 1 23207 37964 1 6579 1 1 1 1 23195 27028 1 44967 1 1 105841 92438 1 1 12491 1 222.0195 *222.0206* 222.0206@4.3807406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0206 *222.0922* 222.0922@1.1765238 6998 5768 1 1 1 1 1 1 1 1 3082 4050 1 1 1 1 1 1 11050 10045 4613 4809 13816 9496 1 1 1 1 5059 4297 1 1 4410 5233 1 1 1 1554 1 1871 1 1 1 1 7107 9487 5923 8401 1 3983 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 1 1 2741 1 11022 11529 8307 7750 1 1 1 1 1 1 5440 6014 1 1 1 1 1 1 2196 2755 1 1 222.0922 *222.0932* 222.0932@1.1555139 1 1 1 1 1 1 1 1 1 1 6457 5554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3172 3537 1 1 4820 4121 1 1 1 1 1 1 222.0932 *222.1143* 222.1143@1.1471709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1685 222.1143 *222.1246* 222.1246@1.1556581 1 1 1 1 1 1 2574 2935 1 1 1 1 38046 36728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1246 *222.1496* 222.1496@1.972328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1496 *222.1521* 222.1521@1.1386033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1521 *222.1582* 222.1582@1.9740703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1582 *222.1596* C10 H18 N6 16456 1 11817 5240 4497 6458 6271 7390 5931 5669 6589 7037 6065 5959 11909 130130 108835 7521 16161 12033 11078 4311 9737 9161 5633 7015 28003 201170 9006 7410 4192 3509 3699 6402 5532 5028 5126 8416 5658 7870 12644 11950 4244 4302 2713 3112 4501 4842 4632 4260 9973 9072 4611 4786 15204 7293 3527 3867 4435 4237 3956 3811 4900 4785 4982 14797 4296 4117 3671 5005 8876 3693 7161 7368 20319 14666 3194 3590 4720 6291 5729 9725 7012 4028 4351 4981 5247 6462 4162 3086 222.1596 *222.1612* 3-NOR-3-OXOPANASINSAN-6-OL 34733 48986 7508 1 1 1 1 2750 1 1 3025 1 13246 2546 27232 28597 1 1 4635 4458 1 1 10066 7865 11001 12481 18119 18773 34442 40486 1 1 1 1 2600 3076 8020 8521 1 1 21812 22561 1 1 1 1 1 3657 1 1 102611 117018 2300 1 6329 1 1 1 3238 3167 1 1 3203 3094 3037 1 1 1 1 1 1 28174 1 3148 1 1 2629 10973 1 1 1 7637 3313 1 1 1 2798 2268 1 1 222.1612 *222.8486* 222.8486@0.7908316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.8486 *222.8488* 222.8488@1.6480519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6556 5202 1 5466 1 1 1 5012 1 5269 1 1 1 1 1 1 1 1 1 1 1 3061 1 1 1 1 1 4890 1 1 1 1 4809 1 6503 6214 1 8444 1 7049 1 5638 1 1 5826 1 1 1 7544 7453 6790 1 3865 3777 8007 5046 3011 5405 1 1 222.8488 *222.8489* 222.8489@1.2318751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.8489 *222.8491* 222.8491@1.1754435 1 1 1 1 1 1 1 1 1 1 8243 1 1 1 1 1 1 8644 1 3660 5975 1 1 1 1 1 1 1 1 6574 24705 1 1 14345 1 15088 1 1 1 1 16979 1 1 25249 1 1 1 11781 1 1 1 1 18027 1 1 16916 1 1 28651 1 1 1 12586 1 4246 18214 15563 11421 17960 19485 1 1 1 20254 21388 1 1 1 16842 1 10992 16014 1 1 22457 18641 1 24748 1 1 222.8491 *222.8492* 222.8492@1.6746843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4842 1 1 1 222.8492 *222.8508* 222.8508@1.091828 1 1 1 1 1 1 1 1 1 1 1 9640 1 1 1 7777 3337 2807 1 4222 1 8105 1 1 6181 1 1 1 7590 5162 1 16392 1 1 1 8917 1 1 1 8123 1 1 1 1 1 1 1 7967 1 1 1 1 1 1 1 1 1 1 1 7997 1 1 1 2488 2851 1 1 1 1 1 1 1 1 2426 1 2949 1 1 2458 1 1 1 1 1 1 1 1 1 1 1 222.8508 *222.8521* 222.8521@1.0964926 1 1 1 1 1 1 1 4356 1 1 1 1 1 6848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.8521 *222.8662* 222.8662@1.049218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4665 1 1 1 1 1 1 1 1 1 3612 1 1 1 1 1 1 1 1 1 1 1 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.8662 *222.9622* 222.9622@1.0944961 7586 8090 23075 22174 8761 9006 12212 12162 4124 4477 5154 5588 12888 12297 2559 2195 1 1 7347 7580 23044 23432 4957 5327 4371 4607 2202 2121 2861 2930 20839 22290 7170 6746 5492 11170 11233 24972 4215 4294 7192 7100 15654 16727 4303 8574 7762 7512 6273 5843 6921 13892 5622 5868 7372 14286 5833 5738 24462 24848 7268 7170 13222 12948 9865 9794 6373 12332 16405 16015 9872 20290 14529 14558 21357 20851 21623 20837 32074 32124 7334 14253 20472 20091 20021 43769 15184 15499 26302 26507 222.9622 *222.9968* 222.9968@1.4623445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2636 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.9968 *223.0203* 223.0203@3.531544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0203 *223.0443* 223.0443@3.0730681 1 1 1 1 1 1 3301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0443 *223.0471* 223.0471@3.0065966 1 1 1 1 1 1 9245 14555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39811 33748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0471 *223.1196* 223.1196@2.372905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7020 1 1 1 6062 1 4147 1 1 1 1 1 1 1 1 1 1 1 4846 6333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4558 1 1 1 1 9019 1 1 3398 1 1 1 1 1 1 5028 5723 4674 1 1 1 1 1 1 1 1 4376 1 1 1 1 1 1 1 1 1 1 1 223.1196 *223.1201* Rimiterol 15181 16299 1 1 1 1 52535 51776 4534 6625 1 6990 5932 8682 1 1 11381 10628 8590 14349 6815 9841 20633 27158 16346 19079 6273 6717 9510 6598 5648 1 6354 8239 9561 9622 11527 8536 14302 13730 12897 13460 1 6497 20440 21043 5278 8960 1 1 13572 8768 11630 16398 10762 10785 21701 13428 25800 26320 7143 9446 19806 1 10006 10493 12456 6973 8879 9506 9265 5399 3945 1 5844 6852 12613 12716 8122 12724 32041 32047 8294 12113 69922 71728 12803 12466 23888 25916 223.1201 *223.1207* 223.1207@1.0311327 1 1 4254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.1207 *223.9481* 223.9481@0.7458614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5276 1 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9865 1 1 1 1 1 1 1 1 1 1 1 1 1 11510 1 1 1 1 223.9481 *223.9825* 223.9825@0.70065606 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.9825 *223.9915* 223.9915@0.7028729 1 1 1 1 1 1 1 1931 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1953 1 1 1 1 1 3351 3458 1 1 1 1 223.9915 *223.9949* 223.9949@0.7042401 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1325 1 3517 2981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2674 1 1 1 7467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.9949 *223.9983* C6 H8 O7 S 32932 28851 3441 3913 21211 22331 104568 102111 22375 22455 1 2831 4183 3842 32586 35374 29430 29239 8627 9208 1 1 12435 12850 18115 18078 5196 4598 10861 9084 5098 5468 41665 35828 15466 17248 6451 6749 1 1 10692 11802 2587 2959 6382 5916 75308 77815 55034 54529 12795 14035 12376 13033 11942 10885 10610 10319 3978 4177 79458 78964 5105 5104 10325 10062 8846 10125 6016 6361 7028 8131 4399 4088 1 1 7205 7312 22974 23436 4548 4837 7899 8157 62578 61669 2532 2057 22118 21301 223.9983 *223.9991* 223.9991@1.0360239 1 1 1 1 4288 1 1 1 1 1 1 1 1 1 1 1 4205 5532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.9991 *224.0115* 224.0115@0.7467873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7218 8503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0115 *224.0159* C11 H4 N4 S 3466 4906 1 1 3241 3990 7525 8859 4305 4194 1 1 1 1 1 1 1 1 13777 5094 1 1 1 1 1 1 1 2880 1 1 1 3327 5079 4616 1 1 3678 3675 4044 3822 4202 3736 9192 1 4047 3984 1 1 1 1 5069 4922 1 1 1 1 4876 4511 1 1 10027 1 1 1 4248 4201 4188 15821 5708 1 11634 1 1 1 1 1 1 1 10535 9655 4262 4174 3868 3340 5914 6005 6067 14209 1 3474 224.0159 *224.0168* 224.0168@2.7311306 1 2293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10754 4006 1 1 1 1 1 1 1 1351 6685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 3473 2173 1 1 1 1 1698 1 7759 2486 1 1 1 1 1 1 1 1 224.0168 *224.0172* 224.0172@2.66505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0172 *224.0174* 224.0174@3.4712265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0174 *224.0484* 224.0484@2.7170644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19134 27833 1 1 1 1 224.0484 *224.0487* 224.0487@2.7960773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10132 1 1 1 1 1 224.0487 *224.0513* 224.0513@1.0979306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0513 *224.0595* 224.0595@1.1046041 1 1 1 1 1 1 1 3018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0595 *224.0661* 224.0661@1.1035348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2648 2153 224.0661 *224.1038* C8 H20 N2 O S2 6543 6821 1 1 1 1 5895 5282 7932 5811 1 1 4010 4047 9412 9161 3673 4869 6363 6111 3106 4547 14445 16524 1 1 5644 4962 3341 3280 1 1 1 1 6708 7353 4753 4868 3887 4994 5807 4905 1 1 1 1 1 1 7085 7021 10862 10703 1 1 5214 1 19317 19659 11738 11523 9578 8274 1 1 1 1 1 1 1 1 1 1 1 1 18584 19052 1 1 4454 2809 4256 1 3994 3793 14993 15628 15722 16908 15633 15322 224.1038 *224.104* 224.104@1.2971889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4215 3492 1 1 8040 5401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8105 4461 1 1 1 1 15829 15337 1 1 1 1 224.104 *224.1121* 224.1121@1.202433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4528 5275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1121 *224.1354* 224.1354@1.1740327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1354 *224.1404* Methyl jasmonate 30256 29593 10449 11348 9745 9964 85827 68857 51585 53777 60173 62823 16717 26872 1 1 45168 48129 25751 25656 21709 21245 26084 25133 23028 22163 1 1 1 1 16960 15519 41378 40826 28537 35830 18673 18991 30494 39165 1 27938 9925 9213 31794 34216 18048 17981 20885 22089 1 1 23168 24281 12082 12653 30684 30181 34160 36525 12969 43315 8493 12502 10406 10109 12740 12462 17346 18112 24977 18735 12033 11507 20171 20628 23532 24476 31309 34184 31731 31421 32335 31781 61924 61394 17417 16106 44092 44529 C11512 224.1404 *224.1481* 224.1481@1.1385747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40559 34787 1 1 1 1 1 1 1 1 1 1 34377 35858 1 54820 1 1 1 1 1 1 1 1 1 1 25240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1481 *224.1539* 224.1539@1.1409655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20321 1 1 1 1 1 1 1 1 1 1 1 1 16957 1 1 1 1 1 1 1 1 21323 21418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1539 *224.1696* 224.1696@1.0988561 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 3950 4503 1498 1 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 3574 1 1 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1696 *224.1748* 224.1748@1.2861288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3642 1 1 1 1 1 1 1 1 1 1 1 4567 4095 1 1 1 1 1 1 1 1 1 5173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1748 *224.1749* 224.1749@1.0668708 11236 12060 1 1 1 1 1 1 1 1 1 1 2501 3955 1 1 1 1 1 3896 3827 1 1 1917 5959 5673 6822 4664 5978 5211 5084 4029 3753 4010 1 1 5840 5769 4710 4693 1 1 1 1 1 3065 4280 4277 1 1 6315 6385 1 1 6819 10625 1 1 4041 4656 5758 6974 1 1 1 1 1 1 1 1 5842 5477 2672 1 6141 5573 5156 5327 1 3397 12603 5868 4094 4816 7414 6721 5275 5961 1 1 224.1749 *224.8469* 224.8469@1.2134056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2727 1 1 6750 1 1 1 1 1 1 1 224.8469 *224.8657* 224.8657@1.0461289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3947 1 1 4064 1 2650 1 1 1 1 4854 4274 1 1 1 1 1 1 1 1 1 1 1 3297 1 1 1 1 1 1 3397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3786 1 1 1 1 1 1 1 1 1 1 5531 6161 1 1 224.8657 *224.9599* C6 H5 Cl2 N O4 8650 7748 1 1 9423 9507 12871 11834 4270 4262 5519 5226 1 1 2218 1 1 1 7974 8144 1 1 4742 4756 4330 4706 1 1 2995 3125 1 1 7198 7126 4938 1 12208 1 3885 3866 7657 7647 1 1 4111 1 7581 7532 5788 5577 6537 1 5531 6012 7260 1 5852 5196 1 1 7130 7252 1 1 10992 10179 5309 1 1 1 10361 1 1 1 1 1 1 1 1 1 6975 1 1 1 21438 1 1 1 1 1 224.9599 *225.0379* 225.0379@1.9518653 1 1 1 1 1 1 4481 5361 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 225.0379 *225.0544* 225.0544@1.9715021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0544 *225.0599* 225.0599@1.9732349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3207 1 1 1 1 1 3739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0599 *225.0629* 225.0629@3.690301 1 1 1 1 1 1 9204 8873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6371 5872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0629 *225.0643* 225.0643@1.9747324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4650 3999 1944 1 2444 1 1 1 1 1 1 1 225.0643 *225.0652* 225.0652@2.8091183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8771 9941 1 1 1 1 225.0652 *225.0653* 225.0653@2.7120628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21681 20478 1 1 1 1 225.0653 *225.0672* 225.0672@1.0936506 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 4524 1 1 1 1 1 1 1 1 1 1 1 2447 1 1 12358 14854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 1 1 1 1594 1 1 3328 1 1 1 9232 10205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0672 *225.0686* C8 H11 N5 O S 129299 134221 38358 42345 71861 78944 46967 145148 172111 174785 433383 426363 63487 73394 47404 49341 39349 35673 81867 60966 175433 189573 393011 385127 143677 141381 144633 138615 184745 222774 32354 34645 408481 457158 85887 86809 388921 455751 83455 71436 307591 306658 224311 254720 56375 81636 87882 93575 88365 97734 546346 520692 248683 247564 123896 119061 590281 580870 134726 155130 111372 126976 42433 41313 213138 245914 115275 97035 237779 230913 375291 405517 110461 94202 48761 49773 111762 111784 735861 907583 452767 460252 457474 426468 227721 279326 40798 41743 195362 187896 225.0686 *225.0711* 225.0711@1.1577846 1 1 1 1 1 1 1 1 1 1 2856 1 1 1 1 1 1 1 1 1 1 1 6915 1 1 1 1 1 1 1 1 1 4557 3108 1 1 1 1 1 1 4322 3044 1 2015 1 1 1 1 1 1 1 9008 1 6669 1 1 1 1 1 1 1 1 1 1 4154 1 1 1 1 1 1 4277 1 1 1 1 1 1 1 1 1 4986 1 1 2916 2679 1 1 1 1 225.0711 *225.0746* 225.0746@3.708146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2830 1 1 1 1 225.0746 *225.0775* 225.0775@3.6567264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7188 5076 1 1 1 1 225.0775 *225.1312* 225.1312@1.1358674 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1312 *225.1387* 225.1387@1.1412137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1387 *225.193* 225.193@0.9509524 1 1 1 1 1 1 1 1 1 1 2644 3238 1 1 1 1 1 1 1 1 1 1 3984 2836 1 1 1 1 1 1 1 1 3566 4118 1 1 1 4154 1 1 1892 1 1 1 1 1 1 1 1 1 4972 4814 1 1869 1 1 5359 5771 1 1 1 1 1 1 1 1 1 1 1 1 2663 2619 1 1 1 1 1 1 8150 8149 3857 3307 5054 3456 1 1 1 1 1 1 225.193 *225.2465* 225.2465@0.9514196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 2895 1 1 1 1 1 1 1 1 1 1 225.2465 *225.9729* 225.9729@0.7157175 1 1 1 1 1 1 1 3462 3301 3538 3277 3385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3713 3696 3413 1 4968 3219 2487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4546 1930 3418 1 1 1 1 5036 1 1 1 1 1 1 1 1 1 3941 5136 1 2966 1 1 1 1 1 1 1 1 4721 4608 1 1 1 1 1966 3567 1 1 2977 2714 225.9729 *225.9766* 225.9766@0.71455455 1 1 1 1 3644 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 2946 4201 1 1 1 1 1 1 1 1 3762 1 1 5966 5830 5742 5385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.9766 *226.0052* 226.0052@5.7340527 1 1 1 1 1 1 1 1 1 1 1 1 1 10326 1 1 1 1 1 14434 1 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 1 1 1 9964 9736 1 1 8750 1 8534 1 1 8601 1 1 6594 1 9080 1 1 1 1 1 1 1 1 1 1 1 8008 1 1 1 3472 2757 6183 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 226.0052 *226.0053* C16 H2 O2 - 5.298567 1 1 1 1 1 1 1 3780 1332 1 1 1 1 4639 5437 1 1 1 5794 7195 1 5416 6587 3516 5836 2503 5537 8338 1 3318 1 1 1 4759 1 1 1 2690 11794 13625 1 6414 6604 8414 2681 3060 8510 3116 1 3015 2126 1 4602 2639 1 4739 1 4941 4850 1 7553 4275 1 1 3733 1 1 1719 6620 2805 9633 1 1 1 1 1 1 1 1 1 1 5768 1 1 6149 7642 1 2220 1 1 226.0053 *226.0054* C16 H2 O2 - 5.5791574 10712 1 11718 11210 11287 10649 9472 10294 8778 1 11040 10691 9324 2004 2878 10121 8369 10046 2266 6743 12547 1 10364 10310 9263 1 12511 2057 10081 13030 8001 8451 1 1979 9769 7957 10589 9328 7496 5528 1 9286 3408 1 3260 5328 2873 4650 8889 8017 6844 6863 5505 6985 6528 7927 1 8026 1 6454 4132 6131 5792 1 2127 1 1 6439 6144 1744 2134 6195 6415 6291 2712 3835 5123 1733 4356 1 1 5697 4371 1 5532 4063 1 4539 1 1 226.0054 *226.0057* C16 H2 O2 - 5.822308 17044 12417 14618 11161 11733 14286 9947 8712 8009 11660 14252 15716 10955 10122 14203 12944 9736 11431 29534 19648 11466 16138 8406 11851 12682 12006 15478 12702 12808 12135 7827 8587 11753 12231 11917 3429 12553 14145 11613 12531 11145 11278 10954 12977 10806 10711 11682 9007 12118 11020 8396 8350 7654 9857 9209 9122 13931 6349 8603 7842 13740 15416 8970 1 7714 1 1 7924 6768 5487 15101 11816 7202 9009 4962 10395 6535 4970 9335 1 12103 11084 8862 10807 10437 1 1 7060 1 1 226.0057 *226.0058* 226.0058@4.9082212 1 1 1 1 1 10347 1 4298 7824 1 1 1 5196 7891 6811 1 1 1 3809 4577 1 5141 1 1 1 1 1 5096 3804 1 2125 1 4566 13399 1 1611 1 1 1 9684 1 1 1 1 5740 6086 10944 6871 10730 7947 2705 7544 1 3035 1 1 7579 5787 3263 8845 1 2078 1 1 3446 1 1 1 1 10375 7322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0058 *226.0058* 226.0058@5.510189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1 1 1 1 1 2801 1 1 1 1 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 1 226.0058 *226.0059* C16 H2 O2 1 1 1 1 1 7176 1 6185 7117 1 1 1 5912 4440 2323 1 1 1 6509 3061 1 6218 1 4254 5894 8551 5064 7119 5009 1 1 1 4571 7646 1 6062 1 1 4840 6946 1 7089 5476 3969 4926 5862 3840 2995 1 1 2146 4431 4872 4291 1 6866 4956 4494 1 3143 2697 5173 1 1 7110 4178 5282 6625 6347 5762 4791 3769 1 1 1 1 1 3715 3793 1 3655 5484 1 1 3389 4254 1 8125 3210 5124 226.0059 *226.0059* C16 H2 O2 - 5.7115893 1 12635 11795 1 12319 11373 10575 10347 9478 9643 11417 1 9294 8195 11031 1 10435 1 14044 14178 11144 11182 9417 9240 9338 1 12925 11850 12554 1 7164 7277 10372 7215 1 10846 1 8554 10273 10005 1 1 1842 8138 5504 8794 7867 7248 7710 1 7698 7091 7512 1 1 8973 1 4035 1 1 6197 1 8832 1 6657 1 1 8515 3960 4953 4591 1 1 1 2827 1 3588 1959 2677 1 1 4814 3048 1 3926 3072 1 6199 1 1 226.0059 *226.0245* C13 H6 O4 1 1 1 1397 3561 4043 1 1 1 1 1 1 2127 1 3853 4364 2101 2143 5786 5683 4578 4379 2162 1791 4310 4676 5947 6006 5627 6302 2469 2488 1 1076 1 1 2044 2436 2328 2379 1832 2347 4553 4521 2115 1835 1 1667 2324 2363 3524 3531 1625 2977 2642 1 3833 3517 2183 2238 3038 2478 6103 6303 1633 2026 2674 2400 3140 3690 2824 2330 6528 6710 3405 3888 5271 5348 5666 6536 3730 3907 6804 7575 6516 6593 5740 5640 2997 3207 226.0245 *226.0248* 226.0248@1.3076679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6202 6650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0248 *226.0299* 226.0299@1.1955898 1 1 1 1 1 1 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0299 *226.0314* C11 H6 N4 S 8697 8549 10194 10300 8364 8058 17453 19514 5403 7322 5370 6744 1 1 3604 2912 3960 4090 8415 8797 6886 6951 7024 7801 4026 4102 6759 6381 4471 3977 8224 9065 11054 11352 1 3195 5937 6554 6905 5824 7337 6739 4837 5101 6519 6191 3579 3935 7243 6259 7721 7349 4069 4526 5419 5730 8817 10517 3287 3540 5760 5822 6354 5312 12321 8836 8711 7700 4541 4234 5839 5410 5244 5081 4923 4370 6300 6750 12207 13442 5538 5641 6049 5801 7266 7750 1 7713 6310 6180 226.0314 *226.0404* C11 H11 Cl O3 3626 1 5479 5098 1 4967 5513 5153 5236 1 1 3690 5529 6420 12764 2707 6238 8846 1 4974 5025 4906 6617 5162 8137 11696 7047 4845 7869 6157 6202 5859 1 1 1 1 7347 7855 5824 5851 12106 8732 1 1 1 1 5870 7009 8136 7233 6481 6826 2283 8371 9773 7333 7771 5250 5469 5707 6874 7412 7163 6101 1 1 1 3950 6693 7384 1 5378 1 1 7247 7026 9606 1 7769 7784 10232 9615 1 1 1 5694 2153 10239 1 1 226.0404 *226.0408* 226.0408@2.0454662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10592 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9369 1 1 1 226.0408 *226.0569* 226.0569@2.1730335 1 1 1 1 1 1 6089 5131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0569 *226.0662* 226.0662@2.8381722 1 1 1 2854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0662 *226.0676* 226.0676@2.8306146 1 1 1 4530 1 1 1 8688 1 1 1 1 1 1 1 1 1 7897 1 1 1 1 1 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51960 1 1 1 1 12938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10704 1 1 1 1 1 1 1 1 24958 1 1 1 1 1 1 1 1 1 1 1 8024 4396 1 1 1 1 226.0676 *226.0694* Glucoheptonic acid 18303 18696 1 1 115868 115032 27268 27638 51648 26935 154840 155444 15175 14975 24993 24379 2469 1 49372 50649 1 1 28752 28103 3539 1 8918 9840 14926 15339 72299 74576 129960 132326 120398 119390 107315 108556 16835 17436 41384 41792 22792 22576 95929 95949 138966 140049 10017 9997 31560 31837 21105 19688 1 1 11379 11950 57600 59369 1 1 1 1 56858 55175 199322 197253 14504 14653 57299 57261 1 1 32356 30363 1 1 3749 1 47942 47091 38219 37169 120429 121831 117088 116960 56086 46713 226.0694 *226.0695* 226.0695@1.6829851 1 1 1 1 1 1 1 1 1 25571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10083 226.0695 *226.0711* Glucoheptonic acid - 5.512869 1 12534 18478 18470 1 1 1 10983 15356 14533 1 1 1 1 17211 15581 1 1 1 20428 1 1 16466 16118 15802 1 15360 1 1 1 1 13561 1 1 9617 1 1 1 1 1 15339 1 15704 16349 1 1 1 15474 19007 18865 1 1 15353 15231 16958 17284 1 14920 16144 16517 18604 1 12400 12151 1 1 14729 14368 15616 15003 1 22571 1 13410 13147 12707 16454 17621 14503 15006 18016 18400 19290 19387 17867 1 1 1 1 1 226.0711 *226.0725* 226.0725@2.7105613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29563 31633 1 1 1 1 226.0725 *226.0732* 226.0732@3.6642237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42837 43300 1 1 1 1 226.0732 *226.0751* 226.0751@1.068662 1 7981 1 1 1 1 1 4657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8802 6839 1 4220 1 1 1 1 1 1 7129 7788 1 1 1 1 1 1 4123 4647 5105 1 1 1 1 1 1 1 1 1 3751 1 3202 1 1 4105 1 1 1 1 1 1 1814 3231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0751 *226.0752* C6 H10 N8 S 29757 67617 10638 9470 7323 1 27669 26750 170638 99599 1 1 9518 1 1 1 1 1 9700 31308 47367 32580 1 1 1 1 1 26479 1 1 1 1 102988 1 1 1 57370 1 1 9753 1 1 1 1 23339 1 1 1 1 1 1 1 1 1 87081 91188 1 1 18013 1 19041 1 161027 160520 36557 1 1 1 1 1 1 1 1 17980 1 1 52991 56643 59321 1 1 1 1 47137 82062 1 1 1 1 1 226.0752 *226.0797* 226.0797@1.1007715 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 2588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0797 *226.0861* 226.0861@1.3248221 1 1 1 1 1 1 1 1 1 1 12698 1 1 1 1 1 1 1 1 5091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8105 1 1 1 1 1 1 1 1 1 1 1 11752 10924 1 1 1 1 1 226.0861 *226.0869* 226.0869@1.3164206 1 1 1 1 1 1 5394 5417 1 1 1 4170 1 1 1 1 1 1 4756 1 1 1 3399 3483 1 1 1 1 1 1 1 1 1 3118 1 1 1 1 1 1 1 1 1 1 8757 4401 6741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7820 1 1 1 1 1 1 1 10767 10790 1 1 1 1 1 16317 1 1 1 1 226.0869 *226.1056* 226.1056@1.2818427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4022 1 1 1 7657 6009 1 1 1 1 1 1 1 1 4726 1 1 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1056 *226.1112* 226.1112@1.2158499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23118 6107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1112 *226.1118* 226.1118@1.2182769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15943 1 1 1 1 1 1 1 1 1 3018 21612 1 1 1 4035 1 1 1 1 4657 1 2342 1 13950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27724 27632 1 3615 1 1 3816 4052 1 1 1 1 226.1118 *226.115* 226.115@1.2280431 11882 14038 1 1 1 1 1 1 8152 9929 1 2044 1 1 1 1 1 1 1 1 1 1 1 15959 1 1 1 1 11624 11663 5405 3905 1 1 1 1 1 1 6624 6061 1 1 1 4310 1 1 1 14899 1 1 1 2986 1 1 1 1 6541 6293 2792 3706 1 1 1 1 10890 12175 1 1 1 1 1 1 1 5578 5993 2952 1 1 1 1 1 1 1 1 1 1 9100 9826 1 1 226.115 *226.1195* Tuberonic acid 1 1 8036 8364 8790 8098 29036 28333 1 1 14541 13252 8784 8159 10120 8556 12049 11231 17683 19977 15848 14118 1 1 11919 11096 6279 8815 1 1 22399 23978 1 1 8521 8586 16736 16949 28707 26805 14260 13292 1 1 17561 16907 1 1 9025 8275 17318 17159 8364 8006 8441 7703 27009 25290 18419 18023 9719 10764 16937 14986 33344 32772 10537 10528 10305 10103 17603 15495 4676 1 17937 18583 8076 8782 1 1 15866 16968 13620 12495 22568 23502 30788 30577 11112 11222 226.1195 *226.1196* 226.1196@1.2636329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1196 *226.1569* 226.1569@1.036325 1759 5351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1569 *226.1615* 226.1615@1.0479836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 3579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1615 *226.1761* 226.1761@1.0549055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2883 1 1 1 1 1 1 1 226.1761 *226.1796* 226.1796@1.0604911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4932 1 3697 1 1 1 1 1 1 226.1796 *226.1877* 226.1877@1.0612323 1 1 3777 3506 1 1 1 1 1 1 1 1 2820 3383 1 2788 1 1 3533 3966 3868 60510 1 1 1 1 1 1 3131 3671 1 1 1 3692 2335 1 1 3280 1 1 1 1 3857 3661 2479 1 4239 65733 1 1 5220 4420 30548 85587 3316 1 1 1 31186 33739 1 1 1 1 1 1 1 1 1 1 4340 4875 1 1 3717 3528 3922 3175 3994 3552 1 1 1 1 3317 3388 1 1 1 1 226.1877 *226.1918* 226.1918@1.0622799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10325 9533 3396 1 1 1 1 1 7103 8029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71853 8390 1 1 226.1918 *226.2028* 226.2028@0.9696971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.2028 *227.0246* 227.0246@0.8300984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0246 *227.0247* C9 H9 N O4 S 27588 27753 20449 21111 50797 55413 98852 103943 66124 62671 163482 163017 19512 20040 75070 73679 3775 1 37862 34250 34489 31581 50558 50634 295308 295871 25167 24141 13916 12710 65869 67061 75370 77726 93804 99205 1 1 18635 19873 18933 17149 23575 24253 4063 4181 1 1 32733 28817 35526 24256 1 1 33242 30416 9792 10656 1 1 1 1 24064 23075 15991 16039 47211 47455 95804 97940 82406 84238 36118 34584 29050 29688 183077 182627 23029 23330 1 1 10496 10965 148727 146678 1 1 131818 121982 227.0247 *227.0582* 227.0582@1.0521222 1 1 1 1 1 1 1 1 1 1 6931 4926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0582 *227.0742* 227.0742@0.97001207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 1 1 1 1 1 1 1 227.0742 *227.0755* 227.0755@0.72943336 1 1 1 1 1 1 2793 2968 1 1 1 1 2864 1 1 1 1 1 10665 10089 1 1 1 1 3017 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3125 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0755 *227.0762* 227.0762@6.3086615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4549 1 1 1 1 1 1 1 1 1 1 5140 5437 3915 1 5008 1529 4423 1 3963 3838 1 1 1 1 1 1 1 1 4896 4893 1 1 5087 4757 3497 3191 3906 1 4524 1 5735 5738 4820 5751 4656 1 4641 1 1 1 1 1 1 1 1 1 3853 4083 1 1 1 1 1 1441 227.0762 *227.0763* 227.0763@6.288813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0763 *227.0769* 227.0769@1.7645447 1 1 1 1 1 1 10544 9723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0769 *227.0823* C10 H14 Cl N3 O 4438 4192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5705 5746 1 1 1 1 4698 4305 3563 3346 1 1 1 3015 1 1 4937 4484 5481 5272 1 1 4227 4332 4201 4071 3745 3704 1 3489 2544 4339 4380 4522 5157 5921 4429 4331 6521 6218 4061 3396 1 3313 1 1 3052 1 3664 4455 3285 1 3347 1 3392 3531 1 3665 1 9194 9700 9278 6787 6417 3816 4167 7197 7329 1 1 227.0823 *227.0902* 227.0902@1.1183164 1 1 1 1 1 1748 1 1 2207 2323 1 1718 1819 1959 1 1 2467 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2035 2206 1 1 1462 1 1 1 1 1 1 1414 1 1613 1 1 1 1 1 1 227.0902 *227.8363* 227.8363@0.73010916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.8363 *227.9268* 227.9268@1.2200006 3064 2720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18574 18388 1 1 1 1 2024 2048 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2776 2572 18665 19309 1 1 1 1 1 2395 1 1 1 1 3267 3262 1 1 1 1 11913 11673 227.9268 *227.9758* 227.9758@2.5407443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.9758 *227.9963* 227.9963@2.5525696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.9963 *228.0032* 228.0032@2.8917947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8257 10104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0032 *228.0036* 228.0036@2.020482 1 1 10925 5703 7185 1 1 1 6250 1 1 1 1 1 1 1 1 1 1 1 1 4462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33432 30966 1 1 1 1 1 1 3466 3883 1 1 1 1 5967 9145 1 1 1 1 1 1 1 4120 18006 3387 1 1 1 1 1 1 30246 20159 1 1 28910 1 1 1 1 1 1 1 1 1 4943 1 1 1 1 1 228.0036 *228.0037* 228.0037@1.64355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6540 7555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7985 6678 1 1 7370 6034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0037 *228.0044* 228.0044@2.0418706 1 1 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0044 *228.0308* 228.0308@0.8110576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0308 *228.0389* 228.0389@0.7956169 1 1 1 1 1 1 1 1 1 1 1 1 2497 1945 1 1 1 1 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0389 *228.0716* 228.0716@0.7717666 1 1 1 1 2819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5330 1 1 1 1 1 1 1 1 1 1 1 1 8351 1 1 1 1 1 1 1 3077 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0716 *228.079* Oxybenzone 20679 3211 14057 15737 12239 3320 20615 19050 7604 7512 10686 12990 13549 15686 10583 9000 2526 2449 32228 32687 29048 27307 10713 11728 13972 14901 20381 3317 2476 17876 14428 13694 14462 16661 6501 1 20192 22094 26132 26692 11733 10689 22559 20643 3444 5948 16287 16901 18798 15508 20675 15807 21160 21108 3920 27590 4882 22469 30500 29220 16905 16747 6319 15129 10314 12682 15744 14455 20401 20478 14267 13879 12673 12825 15282 2743 17333 16042 5533 8360 43655 10468 28029 29520 22586 21484 33228 31241 8603 8583 228.079 *228.0795* 228.0795@0.7243641 1 16845 1 1 1 11627 1 1 1 1 1 1 1 1 1 1 7847 8196 1 1 1 1 1 1 1 1 1 17413 16298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15872 13493 1 1 1 1 1 1 1 1 26452 1 19932 1 1 1 1 1 12208 1 1 1 1 1 1 1 1 1 1 1 1 13704 1 1 35813 33059 1 35708 1 1 1 1 1 1 1 1 228.0795 *228.1294* 228.1294@1.0724627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2507 1 1 1 4149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 1 1 1 1 1 11368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1294 *228.1343* 228.1343@1.2003375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3442 3627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 1 1 1 1 1 1 1 1 1 228.1343 *228.1345* 9,12-dioxo-dodecanoic acid - 1.2552382 5342 5256 1 1 1 1 1 1 1 1 1 1 1 1 4425 3514 1 1 1 3754 1 1 6677 1 1 3249 1 1 4380 3495 5334 5767 3848 4468 1 1 4882 3966 5384 4783 4177 4883 1 1 1 1 1 1 1 1 21292 21170 1 1 1 1 4875 4837 8640 7401 1 1 1 1 4745 3586 2717 3064 1 1 1 1 1 1 1 1 1 1 1 1 2736 3484 4091 4205 16412 15178 1 1 1 1 228.1345 *228.1351* 228.1351@1.0689139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 1 1 1 1 1 1 1 1 1 1 1 1 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1351 *228.1358* 9,12-dioxo-dodecanoic acid 11786 11696 12436 12547 16501 17893 43062 44806 16733 16810 22779 23711 21215 23441 34705 33084 27009 26647 20630 21769 35900 35081 41171 42046 27082 27958 26032 26561 19430 20992 78491 83840 38197 37963 12123 13199 35350 36702 77516 77793 16927 18739 6285 7740 26831 28173 20437 20097 21152 22433 149724 142887 17847 18213 33704 33682 44823 45426 61975 63387 24203 23777 44712 43921 46066 45588 24952 25154 23763 24854 27506 28015 15325 14700 29890 28672 18594 17716 39815 40667 23791 23213 46145 46770 105417 103250 82482 86706 19314 20008 228.1358 *228.167* 228.167@1.3257549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.167 *228.2074* 4,8-dimethyl-dodecanoic acid 4637 4399 4518 4132 4779 4259 7698 8128 1 1 3253 3583 4747 5278 3662 4247 3786 3742 3901 3794 8501 7135 3432 3444 3122 1 1 1 4240 4524 8240 8589 6125 6433 3406 3408 3944 4025 8630 9328 1 1 8622 9853 4262 4274 6504 6488 3669 3463 5477 5746 6623 7223 4367 3265 1 1 4571 4542 1 1 1 1 2944 3098 1 1 3341 3135 5997 6188 1 2991 3590 3264 1 3157 6737 6903 7056 6889 3045 1 4737 4782 9142 8759 1 1 228.2074 *228.2074* 4,8-dimethyl-dodecanoic acid - 1.9773146 3059 3783 3637 3551 5194 5194 16399 16011 4345 4862 5754 5309 1 1 1 1 2010 1812 2775 3242 3339 4150 1 1 1649 1794 1873 1983 1749 1962 3228 3030 3501 3290 1420 1 2465 2145 3593 3441 1976 1 3252 3954 5928 4620 4809 5043 4340 2980 10533 11029 2176 2215 4077 4921 11536 11303 7374 7751 6882 6523 4571 4919 7178 5265 2711 2989 4691 6524 1784 1698 2237 1910 1834 2332 6441 5812 10217 9509 5875 5890 9710 9891 12013 13806 1 1 8965 9485 228.2074 *228.8722* 228.8722@0.7664139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 1 1 1 1 1 1 4924 4862 1 1 1 1 1 1 1 1 3701 3704 1 1 1 1 2787 1 1 3855 1 1 1 1 3464 3774 3647 5000 6074 6557 1 1 5679 5733 5301 5190 1 1 1 1 6150 6167 4492 4431 1 1 1 1 228.8722 *229.0039* C9 H11 N S3 67237 67168 8096 8981 104579 97188 26318 30381 42908 45475 34097 33557 24690 24808 9786 9855 17554 19141 14530 16426 36478 35333 1 1 34980 35681 11102 11794 13973 14323 92710 96678 99121 96671 50411 52081 80512 81208 48576 45855 9685 9588 19584 19659 32192 32535 8887 7707 12818 11632 75964 75738 14142 15526 47688 46030 19236 18010 4178 4031 14810 16794 49901 49344 47422 46835 27787 27405 6553 6080 59480 60127 53845 53868 16604 16192 78013 90178 22189 23568 21164 18689 8654 9100 113075 124908 6355 6328 37657 37718 229.0039 *229.0041* 229.0041@0.73378646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8688 1 1 1 1 1 1 1 1 1 1 1 229.0041 *229.0043* 229.0043@0.7967641 1 1 1 1 1 1 8870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4374 4691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18381 18656 1 1 8968 1 1 8858 1 1 1 1 13006 1 1 1 1 9757 229.0043 *229.023* 229.023@0.7819288 1 1 1 1 1 1 1 1 1 3352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.023 *229.0414* 229.0414@2.0513663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0414 *229.044* 229.044@1.558878 1 1 1 1 1 1 1 1 1 1 1 1 1 264034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13942 1 1 1 189505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237266 1 229.044 *229.0852* 229.0852@0.75076765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7401 1 1 1 1 1 1 1 1 1 1 229.0852 *229.0915* 229.0915@6.035114 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2856 1 1 1 1 1 1 1 1 1 9253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0915 *229.0918* C6 H11 N7 O3 8255 9020 7603 6290 8048 8635 7516 7564 8022 8361 9890 10042 7194 7611 11125 11132 7830 9473 14588 13702 12489 12667 10495 10737 15227 15763 12970 12420 15735 15706 10594 10095 12573 12452 12166 13142 15641 15615 12359 11971 14392 14650 17421 18252 12854 12694 16493 17633 14749 15636 9964 13550 15219 15595 17262 16865 17145 18761 16856 15934 9497 19680 12979 13489 17869 17426 20021 20156 18786 18750 16690 16823 16541 17118 16445 17233 18518 17648 16664 15793 15400 16425 18913 18291 5313 15445 14520 13269 18417 16814 229.0918 *229.0922* 229.0922@0.77728784 4375 3592 1 1 1 1 5862 5687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4364 1 3029 1 1 3540 1 1 1 1 1 1 229.0922 *229.0987* 229.0987@2.886194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2474 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4838 5564 1 1 1 1 1 1 229.0987 *229.1302* 229.1302@1.98324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 1 1 1 1 1 229.1302 *229.1613* 229.1613@1.20275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1613 *229.1662* C8 H19 N7 O 2548 2605 2701 2933 1 1 4713 3062 2152 2365 1 1 2225 2203 2466 2429 3637 2129 2595 2922 1 1 3048 2887 4497 2815 2109 2087 5042 2812 1 1 1 2728 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 4068 4361 1677 2218 1 1 1 1 1 1 7523 12319 1 1521 1 1339 1 1 1 1 1 1 1 1 1844 3531 1 1 1 1 1964 4162 3104 2935 3939 3959 229.1662 *229.9569* 229.9569@0.93641925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.9569 *229.9581* 229.9581@0.9364943 1 1 2727 2806 1 1 1 1 1 1 2429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 2711 1 1 1 1 1 3113 1 1 1 1 1 2672 3236 3501 3156 3073 3048 3536 2804 1 1 1 1 2993 3273 3592 3244 3353 3344 3035 2925 1 1 1 1 1 3555 3522 1 1 1 1 1 1 1 3376 1 1 1 1 1 1 229.9581 *230.0019* 230.0019@2.0106418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10379 9933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9047 5842 1 1 5041 8572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0019 *230.0077* 230.0077@0.8654775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3309 3043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0077 *230.0262* 230.0262@0.7597395 1 1 1 1 1 1 1 1 1 1 11922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0262 *230.027* C10 H6 N4 O S 8871 8523 6484 6601 2663 1 1 1 1 1 4884 15762 1 1 5689 4890 6746 7130 1968 2134 1 1 1 1 9121 9455 3064 3559 1 1 2152 2223 1 1 1725 1 6069 5869 1 1 5461 4299 1 1669 1 1 2581 2900 9278 9210 5802 6257 2236 1 1 2359 1 1 1 1 3504 1878 6550 6310 1 1 1 1 1 1 1 1 1 7195 3295 1 1 1 1 1 1 7596 1 1 1 1 1 1 2572 2167 230.027 *230.0304* 230.0304@0.70689887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9062 1 1 1 1 3619 1 1 1 1 230.0304 *230.0423* 230.0423@0.7110615 1 1 1 1 1 1 3371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0423 *230.0472* 230.0472@1.3666471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7434 6013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0472 *230.0499* 230.0499@1.537695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4719 1 1 1 1 1 3078 1 1 1 1 1 1 5513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3535 1 1 1 2356 1 1993 2765 1 1 230.0499 *230.053* 230.053@1.5139381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20283 1 1 1 1 1 1 1 1 1 1 1 4858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.053 *230.0546* 230.0546@0.77340126 1 1 1 1 1 1 1 1 3817 1 1 1 1 3134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15573 16257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0546 *230.058* 230.058@1.5101055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20035 1 1 1 1 1 1 1 1 1 1 6720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3999 1 1 1 1 1 1 1 1 1 1 230.058 *230.0609* C13 H11 Cl N2 1 1 27201 23271 1 1 1 1 149167 150682 1 1 6040 11162 25306 32073 1 1 15511 6726 2961 3017 318471 324558 1 1 16778 10646 1608 1 2241 2285 1 1 1 1 1 1 1 1 1 1 1 1 152287 154166 1 1 1 51682 1 1 1 1 1 4434 155875 162798 1 1 21409 19103 27294 31502 4799 4889 14676 14548 6671 7134 253866 247401 2339 1 1 1 1 1 1 1 230907 232928 156957 159287 128106 143169 1 1 11261 11502 230.0609 *230.0642* 230.0642@0.7629701 1 1 1 1 1 1 1 1 1 1 1 1 8446 1 1 1 1 1 1 8781 1 1 1 1 1 1 1 11991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 4825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0642 *230.0695* 230.0695@1.541795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21160 17670 1 1 1 1 1 12418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20800 1 1 1 1 1 1 1 1 28559 1 1 230.0695 *230.071* 230.071@0.75813437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.071 *230.078* 230.078@1.3955153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3083 2913 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2462 1 1 1 2573 2728 1 1 1 1 1 1 1 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 3691 1 1 1 1 1 1 230.078 *230.0801* 230.0801@0.7769401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0801 *230.0839* 230.0839@1.3949565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3753 3020 4913 5427 1 1 1 1 1 3177 1 1 230.0839 *230.0881* 230.0881@0.780674 1 1 1 1 1 6847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4596 1 1 1 1 1 1 1 1 5216 5202 1 4494 1 1 1 1 1 1 1 1 1 1 4397 1 1 3963 4035 1 1 1 1 1 1 1 1 1 1 8352 7874 1 1 1 1 1 1 1 1 1 1 1 1 1 3991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0881 *230.0917* 230.0917@0.7799501 14269 14066 1 1 6559 1 15043 14890 1 1 3751 5114 1 1 1 1 6375 6582 1 1 1 1 1 1 6348 5227 1 1 1 1 1 5145 1 3840 1 1 5406 6268 7608 9000 1 1 4493 1 1 1 1 1 1 1 6526 1 5057 4684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1 1 1 5319 5722 11688 13302 1 1 1 1 1 1 5835 4909 1 1 230.0917 *230.094* 230.094@1.0984321 1 1 1 1 7819 7801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3342 1 1 1 1 230.094 *230.095* 230.095@2.911492 1 1 4679 4960 1 1 3324 1 1 1 1 1 3066 2968 2940 4735 8647 9854 1 1 1 1 4137 4352 1 1 1 1 1 1 1 1 1 1 3517 3769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11217 9942 4864 4557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3358 3488 1 1 1 1 1 1 23010 24536 1 1 1 1 1 1 230.095 *230.0952* 230.0952@2.6103005 2273 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6606 5704 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1496 4105 4582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3354 3054 2736 3612 6358 6587 1 1 1 1 1 1 1 1 230.0952 *230.1498* 230.1498@1.1874342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1498 *230.1516* Dodecanedioic acid 16326 17070 18001 17029 18860 23630 1 1 14226 12880 17435 1 57040 1 1 26493 1 1 14928 1 1 1 232223 235931 18589 17839 17742 1 13010 14893 72560 1 1 1 16303 15629 1 1 94348 1 17551 17443 13685 22839 1 15782 1 1 16282 16195 1 1 1 1 17357 17123 1 1 1 1 18718 18325 1 1 1 1 1 25507 1 1 30028 1 16569 18046 21926 22588 17274 33578 1 34525 1 1 1 1 1 1 1 1 1 31428 HMDB00623 C02678 230.1516 *230.186* 230.186@0.7517495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.186 *230.2793* 230.2793@1.1305543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.2793 *230.8673* 230.8673@0.76382387 21896 20368 9444 9007 2265 2979 11007 11480 22235 23927 8385 6972 19103 19761 19361 17051 10335 11001 5500 4363 5899 7331 16236 16140 11098 11503 3991 4068 4263 4480 23674 9230 1 4291 49110 63587 37280 30450 20457 18346 28415 25968 94974 97279 8999 9449 25034 28274 47094 52408 60118 56204 72855 72875 16188 17805 50892 47411 54996 60805 49865 81996 1 1 30969 32204 66198 74990 73106 98990 120983 136245 17635 17564 112170 110387 111324 112748 21080 20031 34351 35199 138722 116575 90090 84290 53215 51257 39520 41466 230.8673 *230.8688* 230.8688@0.8058716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15104 1 1 1 1 1 1 230.8688 *231.0163* 231.0163@0.86071575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4026 1 1 1 1 1 1 1 1 1 1 1 1 3255 3758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4851 231.0163 *231.0182* 231.0182@1.183 1 1 1 1 1 1 1 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0182 *231.0194* C11 H6 Cl N3 O 1509052 1607863 4057 11487 18945 19359 18850 24195 1 1 58592 63946 6630 1746441 17851 9600 1 1 22205 24512 14702 13497 1 1 67988 82590 83358 81673 6057 6154 19513 20071 23935 30283 56159 43747 1 1 4991 5844 6918 3858 13873 15489 1 1 1 4570 1 4851 13807 13052 1 1 15346 17739 1 1 1 1 1 1 23935 15092 1 1 16822 17802 60562 65526 5639 6806 17114 16950 7630 10623 38714 43094 7505 8086 1 1 1 1 14628 16139 1 1 5770 43753 231.0194 *231.0195* 231.0195@1.0475777 85649 1 1 1 1 1 1 5844 1 1 1 1 3057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12680 11508 1 1 231.0195 *231.0202* 231.0202@1.138 1 1 1 1 1 1 1 3599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0202 *231.0205* C9 H13 N S3 3712 3784 12637 9285 1 1 6469628 6463164 1 1 1 5293 1743604 7076 5063 13471 1 1 1 1 7109 3301 1 1 7885 5414 13655 12719 5706 6201 1 1 1 1 1 1 1 1 1 1 4317 7120 1 1 11914 12672 1671443 1654870 35034 21257 20935 18879 1 1 1 1 1 1 1790106 1710661 1 1 9245 9049 1 1 536884 540671 1 1 1 1 1 1 1 1 1 1 1 1 634386 631425 5765 1 1 19734 2818635 2836080 41564 1 231.0205 *231.0213* 231.0213@1.9720405 1 1 1 1 1 1 5717 6752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0213 *231.0252* 231.0252@0.74616987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8772 1 1 1 1 1 1 1 1 1 1 1 1 1 8201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0252 *231.0291* 231.0291@2.0840104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6492 1 231.0291 *231.032* 231.032@0.7607469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21214 1 1 1 1 1 231.032 *231.0459* 231.0459@6.8328495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4068 4595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0459 *231.0483* 231.0483@0.7461631 1 1 1 1 1 1 1 1 20642 20760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4893 1 1 1 1 231.0483 *231.0494* 231.0494@0.7521756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0494 *231.0559* 231.0559@2.832274 1 1 1 1 1 1 8060 8719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13351 12539 10220 9902 18825 19305 1 1 1 1 1 1 1 1 1 1 8414 8502 1 1 1 1 1 1 6493 7084 1 1 1 1 1 1 31728 31279 1 1 1 1 1 5272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9950 4140 231.0559 *231.0559* 231.0559@2.217987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0559 *231.0563* 231.0563@2.8231664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5803 231.0563 *231.0709* 231.0709@6.395153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0709 *231.0711* 231.0711@6.4083548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5272 5663 1 1 1 1 1 1 1 1 5411 5250 1 1 1 4449 5458 6088 1 1 1 1 5260 5093 5315 1 6267 6081 6087 1 1 1 1 4735 6894 3810 5532 5970 7208 6837 7382 7202 7262 7900 7919 8247 6372 6607 5073 6827 7402 7305 7032 7730 7413 7750 10131 9919 5791 5914 1 5500 6644 7369 6262 6229 8489 8694 1 5047 7583 6973 7637 7436 6497 5868 231.0711 *231.0759* 231.0759@0.8404815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3723 3609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0759 *231.0825* 231.0825@1.9686974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 1 1 1 1 231.0825 *231.1464* 231.1464@0.8403659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4546 1 1 1 1 1 1 1 1 1 1 1 1 1 10377 1 1 1 1 1 1 1 1 1 231.1464 *231.1986* 231.1986@0.8440001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4254 3042 1 1 1 1 1 1 1 1 231.1986 *231.8303* 231.8303@0.887 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.8303 *231.8438* 231.8438@0.847649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2512 1 1 1 231.8438 *231.8916* 231.8916@0.837 1 1 1 1 1 1 1 3724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.8916 *231.9668* 231.9668@1.6730766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6123 5446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.9668 *231.9918* 231.9918@1.1958148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1385 1 1 231.9918 *232.003* C9 H12 O S3 5578 5343 1 3295 7886 9974 41940 45197 3082 2967 8104 8033 1 1 3301 1 6179 6011 7135 6879 1 2835 3147 2216 3138 3910 1 1 1 1 7798 12709 8418 7343 1 1 4898 3359 4750 4642 1 6499 1 1 5766 6676 5670 1 3244 3538 5483 4833 1 1 4823 4829 11812 12872 1 4388 1 1 1 1 16748 14678 3289 5613 5586 1 1 3911 1 1 1 1 7683 7650 27154 26114 3606 2955 7729 5170 27500 27405 1 1 5676 6534 232.003 *232.003* 232.003@0.9662427 1 1 3304 1 11216 11585 1 1 1 1 1 1 1 1 1 3045 1 1 1 1 2710 1 1 1 1 1 1 1 1 1 1 1 13960 12820 3253 3284 2907 4679 1488 1 6720 1 1 1 3795 4195 1 1 1 1 15008 13798 1 1 1 1 1 1 1 1 4282 3892 1 2860 1 1 1 1 1 4663 2990 1 1 1 1 1 1 1 14847 18010 1 1 1 1 33495 34579 1 1 1 1 232.003 *232.0031* 232.0031@1.010462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26335 23090 1 1 1 1 1 1 1 1 1 1 232.0031 *232.0036* 232.0036@1.3373574 1 1 1 1 1 1 1 1 1 1 3404 3147 1 1 1 1 1 1 3319 3691 1 1 1 1 1 1 1 1 4383 3983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0036 *232.004* 232.004@0.72972417 1 1 1 1 7947 9060 1 1 1 1 1 1 39046 38309 1 1 1 1 46605 47269 1 1 1 1 1 1 4815 1 1 3942 1 1 1 1 1 1 2243 1 6886 6932 48254 46094 1 1 1 1 24025 26938 1 1 1 1 1 1 1 1 2409 1595 1 1 1 4917 8552 1 14641 14134 1 1 1 1 1 1 1 1 1 1 1 1 7962 8700 47689 48213 1 1 1 15177 1 1 1 1 232.004 *232.0082* 232.0082@1.0090766 1 1 1 1 1 1 10340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0082 *232.0104* 232.0104@1.0735251 1 1 1 1 1 1 14906 14934 1 3047 1 1 1 1 1 1 1 1 24947 24622 1 1 1 1 1 1 1 1 1 1 1 1 12694 12574 1 1 1 1490 1 1484 12835 10990 1 1 1 1 1 1 5722 5946 1 7329 1 1 7018 7556 13952 13229 3793 1 1 1 1 1 12128 10941 1 1 1 1 9675 9067 1 1 1 1 1 1 1 1 7249 7427 1 1 1 1 1 1 7698 7549 232.0104 *232.0109* 232.0109@0.73607117 1 1 1 1 1 1 1 1 5628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7384 3940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4934 1 1 8719 1 1 7857 1 2118 1 1 1 1 1 6967 8356 1 1 1 1 1 1 1 1 35041 1657 1 1 1 1 232.0109 *232.0159* 232.0159@0.7314113 1 1 3673 1 1 1 12863 11539 1 5443 11789 7062 1 1 1 1 1 1 1 1 4623 7316 1 1 1 1 1 1 1 1 15532 15843 5503 1 1 9808 1 1 1 1 1 1 3710 1 1 1 1 1 15562 17376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6769 1 1 1 1 25150 23857 1 1 1 1 1 1 1 1 2295 1 1 1 1 1 1 9956 232.0159 *232.0201* 232.0201@1.0609139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6395 6017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3255 2701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 3198 1 1 1 232.0201 *232.0261* 232.0261@0.97108155 1 1 1 1 1 1 1 1 5875 6258 1 4515 1 1 1 1 6644 6692 1 1 1 1 1 5436 11761 1 1 1 1 1 3468 4098 1 1 1 1 2147 2555 1 3334 1 1 1 1 1 1 1 1 1 1 1 1 7813 3812 11223 10656 1 1 1 92614 1 1 1 1 1 1 1 1 1 1 1 1 2555 2514 2525 1 1 1 1 1 1 1 1 2339 1 1 27261 1 10467 1 232.0261 *232.0273* 232.0273@1.0792321 1 1 1 1 1 1 1 1 1 1 4440 1 1 1 1 1 1 1 1 1 1 1 4730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5072 1 1 1 1 1 1 1 3175 2986 1 1 1 1 3478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0273 *232.0282* 232.0282@0.71337336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2587 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0282 *232.0306* 232.0306@1.079542 1 1 2600 2363 6089 5206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5783 4386 1 1 3531 3718 3767 3445 6485 5621 1 1 1 1 1 1 1 1 1 1 1 1 1 2022 2278 2419 1 1 1 1 1 1 1 1 1 1 1 1 3520 4527 2337 1974 1 1 1 1 2133 1941 2474 2349 1 1 1 1 1 1 1 2673 1 1 1 1 2604 2607 1 1 4190 3962 1 1 232.0306 *232.0385* 232.0385@0.72050124 10458 8864 1 1 1 1 1 1 10725 1 1 1 1 1 27398 27756 37777 38975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0385 *232.0404* 232.0404@0.73455083 1 1 1 1 1 1 1 1 1 9905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0404 *232.066* 232.066@0.86886466 1 1 1 1 1 1 1 1 4512 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5586 1 1 1 1 1 1 1 1 1 1 1 1 1 2585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3374 1 1 1 1 1 1 1 1 1 1 1 232.066 *232.0661* 232.0661@6.47705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4942 5584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0661 *232.073* 232.073@0.85344404 1 1 1 1 7850 8086 1 1 1 1 4077 4673 1 1 1 1 1 1 1 4713 1 1 1 3745 1 3556 1 2708 1 1 1 1 11707 10803 5239 6950 6324 1 1 1 16378 16486 1 1 1 1 1 1 4082 1 5427 3482 1 1 5039 5586 5310 4954 1 1 1387 12393 1 1 1 1 1 1 1 4780 3541 1 1 1 1 1 1 1 5823 9257 1 1 3313 1 4895 1 1 1 8120 8538 232.073 *232.0739* 232.0739@1.963099 1 2520 1 1 1 1 3856 3715 1 1 1 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3825 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 4104 4576 1 1 4454 4010 1 1 1 1 232.0739 *232.0741* 232.0741@0.8412496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0741 *232.0833* 232.0833@1.0918604 32797 32070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0833 *232.1262* 232.1262@1.6446056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5003 1 1 232.1262 *232.1512* 232.1512@0.84350705 1 1 1 1 1 1 15860 21897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1 1 232.1512 *232.1979* 232.1979@0.84964526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3264 1 1 1 232.1979 *232.1999* 232.1999@0.84353435 1 1 1 1 1 1 12415 11878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1999 *232.9374* 232.9374@4.2820287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9374 *232.9375* 232.9375@3.1062355 1 1 1 1 1 1 1 1 2291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 1 1 1 1 1 1 232.9375 *232.9377* 232.9377@1.9753164 12773 10602 13747 13425 12465 11898 11438 12672 10998 10978 13247 11443 16052 15089 9882 15626 12700 13063 15045 14923 13169 18762 17255 17228 10342 13427 19462 19312 11979 14346 13283 13977 16562 14348 12272 12622 12970 12188 11671 18231 17815 15944 15671 9009 13085 14884 13628 14734 14598 14281 12539 13930 12741 18937 12236 13894 13461 7590 13223 16741 11947 12187 12154 12200 15048 15802 12705 19900 12325 13245 12434 17475 15661 18762 12587 16519 5864 13472 13680 13887 14233 14827 14992 12423 12465 11132 16800 16306 12848 11524 232.9377 *232.9377* 232.9377@1.4521134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 3820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9377 *232.9378* C5 H3 N3 O2 S3 - 1.638067 5352 6604 10025 7063 6019 6780 7873 5321 4584 1 4567 1 7443 7102 7121 1 1 6987 5108 9183 6624 8882 1 1 7538 9668 7591 3777 1 1 12657 12469 1 5399 8076 2817 7865 9029 9147 8520 1 8588 9268 1 1 3421 8627 11524 7521 5114 14018 11143 7657 8002 1 1937 9281 1 8237 6949 9688 8881 1 5231 6313 6297 1706 1 1 6632 9020 9125 1 1 1 1 1 1 1 1 1 4542 7345 5662 1 6856 15100 14430 1 1 232.9378 *232.9378* 232.9378@2.9559124 1 1 1 1 1 1 1 6876 17082 1 1 1 7758 16725 1 2748 1 17701 7758 1 1 1 1 16641 11220 1 1 9097 1 1 1 1 1 1 19612 17049 1 1 1 1 1 10883 1 1 1 1 1 1 6917 10716 1 1 8165 6524 1 10027 1 1 4941 1 1 1 1 1 9828 1 5215 1 1 6529 13723 1 17274 1 1 15318 1 14736 1 3357 1 7298 1 13719 1 1 1 1 15834 14451 232.9378 *232.9378* C7 H4 Cl N O2 S2 1 1 1 1 1 1 1 1 1 1 6726 7699 4783 1 6882 4797 1 1 7027 1 1 3614 1 6346 8153 7459 8704 8675 7989 6260 1 1 7284 1 1 1 1 6770 7223 8116 1 7362 1 1 1 6641 4367 7691 7308 5923 8232 8132 5857 8828 7899 9011 7014 1 8676 6479 1 7483 1 2772 7672 9143 4515 5757 1 1 1 4280 2225 1 6627 9924 1 5773 7262 7597 1 1 8787 10783 7307 1 8606 8621 5207 8991 232.9378 *232.9379* C5 H3 N3 O2 S3 - 1.2204664 1678 1 6757 1 4620 9590 2928 3182 1 8697 5514 7123 3432 3171 8296 9877 1 1 6882 1 4729 2698 9447 7430 1 4717 1 1 5039 5655 2813 1 5421 1 7190 2303 13624 12969 1 1 9250 6176 13553 10862 7601 8231 2648 1715 3229 3053 11960 8696 1 7797 11326 7729 4725 4626 2054 2138 11591 1 11248 13872 4097 5442 1898 4483 9133 10567 4304 4509 4869 1 7651 11316 1 7855 5670 4768 2378 3847 2768 5270 5365 4521 1 3515 3699 2567 232.9379 *232.9379* 232.9379@1.3289706 1 1 1 1 3463 1 1 3337 1 1 1 1 4228 1 1 1 1 1 3179 1 1 5809 1 1 1 1 1 1 1 1 7644 1 1 5112 1 3775 1 3629 1 1 1 1 1 1 7288 2609 1 3669 3750 3169 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 4927 4398 1 1 1 4130 4764 1 1 1 1 1 1 1 8320 8637 1 6790 1 8651 1 1 1 2705 232.9379 *232.938* 232.938@2.9019184 1 1 1 1 1 3371 1 3320 1 5161 7373 9623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 8150 1 1 1 1 1 1 6598 1 1 4528 1 1 1 6011 1 1 1 1 1 3481 1 1 1 1 7014 1 4812 1 5074 1 1 1 4493 1 1 1 1 1 1 1 10319 1 1 1 1 10219 1 1 1 1 1 1 1 1 1 1 232.938 *232.938* 232.938@3.2632928 1 1 1 1 1 1 1 1 4642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.938 *232.9381* 232.9381@1.3136894 2610 1 1 1 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 1 1 1 1 1 1 1 1 1 1 1 1 1 2994 1 2060 1 1 1 1 1 1 1 1 1 4395 1 1989 1 1 1 4609 1 1 1 1 1 3007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6434 1 1 1 1 1 1 1 7405 232.9381 *232.9381* 232.9381@1.1138742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9381 *232.9381* 232.9381@2.0086174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5598 1 1 1 1 1 1 1 1 1 1 2068 1 1 6654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8099 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9381 *232.9383* C5 H3 N3 O2 S3 4011 1 1 3509 5577 5452 3538 3523 6676 6844 4031 1 3351 3083 7249 7983 13924 14696 7415 13851 6906 5600 6143 4921 3976 8287 8134 7758 1 14329 10116 9393 24937 24293 4807 3861 12258 7862 11453 9487 10015 9575 8401 7144 6860 8847 5449 5219 5397 5796 13148 12297 11661 3785 7467 6202 8924 7685 6665 6707 3123 3899 1 1 24488 8314 2188 4343 1 1 1497 7933 3186 3853 5412 4622 11890 9776 9328 8050 7937 6363 2794 3272 7405 6925 10758 12210 4541 3130 232.9383 *233.0169* 233.0169@0.7567109 1 1 1 1 1 1 1 1 1 1 4803 1 1 1 1 1 1 1 1 1 1 1 1 1 5021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0169 *233.0346* SULBACTAM 1 1 4433 4693 1 5179 4180 4577 4094 4430 1 5032 4664 4705 1 1 3958 1 9511 7571 1 1 1 1 1 1 1 1 1 1 7963 6676 1 1 1 3598 1 1 1 1 4871 3751 1 1 1 1 50139 41833 7387 6278 5498 5812 1 1 1 3889 4422 3808 3677 2846 4688 5294 6539 4420 8580 6370 1 5211 1 1 6723 8094 9801 9391 1 1 1 1 220172 234513 1 5493 5868 8329 18819 16624 1 1 7970 9235 233.0346 *233.0355* SULBACTAM - 1.9685525 4533 1 6622 6778 6819 6419 9091 8643 6550 7892 5014 1 6008 4705 1 1 1 1 6877 5974 1 1 1 1 1 1 1 1 1 1 8358 7964 6197 5104 1 2939 3356 3768 2902 2660 3804 3600 5575 1 3593 3257 62987 70082 7212 8361 1 1 1 1 4408 1 8317 7914 1 1 6995 7142 6793 6322 10483 9905 6400 6630 1 1 8338 7605 9369 9627 4247 4890 3929 3440 451246 445650 5560 1 1 1 25566 27485 1 1 11159 10053 233.0355 *233.0575* 233.0575@1.1186185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0575 *233.0649* 233.0649@5.742635 1 1 1 1 1 1 4473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 233.0649 *233.0653* C8 H7 N7 O2 17152 17130 18254 18757 18708 17939 11179 14785 19418 20857 18325 19364 18548 18731 23379 23192 17709 19386 23264 24331 19751 21056 18495 19825 21555 21459 22434 23397 22816 23199 23590 24146 22462 22242 24331 24378 23646 23954 20513 20474 22935 22539 25908 25552 23456 23348 22761 23808 28821 29527 24195 23332 26002 24956 25591 26190 28515 28207 34376 34254 34803 34472 21271 20816 24072 24962 28312 28608 24868 25644 35378 35076 22947 23241 22691 24019 26237 26426 28073 28441 31880 32066 40375 40444 30869 30303 29043 28660 29977 29463 233.0653 *233.0659* 233.0659@0.9300045 5069 5637 1 1 1 1 1 1 1 1 6173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12590 1 1 23935 19075 1 1 2621 1 1 1 1 1 1 1 1 1 1 31772 1 1 1 1 1 1 1 1 1 1 1 1 2246 1 4496 1 1 1 11171 1 1 1 1 1 1 1 20649 61744 1 5631 18254 1 1 1 1 1 1 1 233.0659 *233.0664* C8 H15 N3 O S2 1 1 1 1 9332 14352 1 1 7106 15606 2972 20802 1 1 6354 3530 4256 1 7188 8719 7915 6750 31215 32371 1 1 4518 9481 7499 12780 6740 8983 78397 21063 6777 1 4317 7701 1 1 13973 17578 1 1 1 1 1 1 3077 1 16811 5736 4694 5838 8489 8305 25943 24709 1 1 1 3257 10474 24617 2691 4295 1 8093 10706 1 2705 2623 2790 1 1 1 6626 6541 4128 13820 17235 2995 5807 24291 31917 34354 1 1 15309 15415 233.0664 *233.0674* 233.0674@0.9415911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9633 1 1 1 1 1 1 1 1 8401 1 1 1 1 1 1 1 1 1 1 1 233.0674 *233.0857* 233.0857@1.9719238 1 1 1 1 1 1 3128 3134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 1 1 233.0857 *233.1638* 233.1638@1.9687972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4631 1 1 1 1 1 1 1 1 1 1 1 233.1638 *233.2141* 233.2141@1.9687972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 1 1 233.2141 *233.249* 233.249@0.8500689 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.249 *233.9308* 233.9308@6.9940085 1 1 1 1 1 3675 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3742 1 1 1 1 1 3758 1 1 1 1 1 1 1 4511 1 6206 1 4513 1 1 1 1 1 1 1 5752 1 7203 4722 1 4436 1 4955 1 1 5714 1 1 1 1 1 1 4155 1 1 1 3947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3651 1 233.9308 *233.9311* 233.9311@4.1657815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5318 1 1 1 1 1 1 1 1 1 1 1 7944 1 4669 1 1 1 1 1 1 1 1 1 5764 1 1 4918 1 1 1 6488 1 9727 1 1 1 1 1 1 1 1 1 1 1 1 6948 1 1 6260 7770 1 1 1 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6937 1 1 1 1 233.9311 *233.9311* 233.9311@6.615119 1 1 1 1 1 4674 1 1 3872 1 1 1 1 1 8613 7701 1 1 1 2809 1 1 1 1 1 7055 1 1 6665 1 1 1 6583 1 1 1 1 5583 1 1 1 1 1 1 1 1 1 1 1 7397 1 7952 1 1 12209 5362 1 1 1 1 5359 1 1 1 1 1 4702 1 1 1 3996 1 1 1 1 1 1 1 1 1 1 1 1 1 6392 1 1 1 7126 1 233.9311 *233.9311* 233.9311@7.5422974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 2489 1 1 1 5729 1 1 1 5980 1 1 1 5269 5314 1 1 6495 1 1 1 233.9311 *233.9312* C7 H6 O S4 1 1 1 1 1 1 17166 18009 8096 2298 6958 1 6067 12525 6773 1 1 7810 5258 13730 4744 7580 6648 1959 15382 14431 4721 16551 4948 19051 6310 1 10311 1 1 7295 7808 1 17682 21493 1 8132 1 6930 23598 12897 18161 6729 19430 13052 1 18835 22759 6700 21863 18928 20282 6321 1 10672 10571 1 19469 7922 9668 22385 1 2634 12322 21241 16656 7394 6605 5643 3513 19890 13139 19141 5166 14994 17235 14522 1 17256 4998 7606 16327 1 21835 17350 233.9312 *233.9312* C7 H6 O S4 - 6.042406 1 1 1 1 1 1 1 1 4483 5630 1 1 1 1 1 7055 1 1 1 6208 1 5760 1 7554 6641 15409 1 1 8867 1 1 1 1 3286 1 1 1 6877 6493 4018 1 1 8022 10702 4723 7942 1 1 1 1 1 5606 1 6613 9603 8366 1 15471 1 1 1 1 1 1 7340 1 6055 1 1 7736 1 1 1 1 1 6617 7758 1 1 1 1 1 5885 8090 1 5789 1 9054 4426 4364 233.9312 *233.9314* C7 H6 O S4 - 4.144288 9824 9195 1 3357 1 2610 1 8989 10286 9322 5020 1 11121 7951 10087 10042 14031 13159 6183 1 10169 8100 15021 13192 9778 1 5018 7226 7310 8670 9353 12510 11281 14494 1 12461 14607 1 6374 11740 3541 8528 1984 12809 15745 7887 12236 2909 5731 1 13770 9870 7130 1 16663 9296 12107 7931 15771 14937 7434 9169 12074 5200 7689 19092 10424 9364 3257 2948 13449 5105 4933 13868 5161 13208 2587 1 10350 17812 10294 9556 4349 10514 16026 11977 12029 9987 10831 13304 233.9314 *233.9314* 233.9314@4.011761 1 1 1 1 1 1 1 1 1 5978 1 1 1 2006 7744 1 1 1 12778 1 14216 6106 14224 1 1 1 12069 1 11680 1 8811 1 1 1 1 1 1 1 4957 1 1 13225 1 1 1 6143 1 13900 6619 1 1 2734 4691 1 1 1 1 13355 1 5854 4252 1 4129 6518 2749 1 1 1 3099 3771 1 10524 7565 3407 1 1 1 1 1 6172 1 7246 1 6768 15116 15027 1 1 1 1 233.9314 *233.9314* 233.9314@6.3428264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 233.9314 *233.9315* C7 H6 O S4 - 6.403024 3727 6310 1 7707 7010 3564 10423 8664 5561 8289 8118 6498 6876 6006 6305 7402 8089 1 5273 7687 4549 6912 7380 7436 13061 8777 7650 6312 3805 7354 11963 1 5478 9779 10874 6176 10960 7852 6468 4345 1 14708 7947 10128 12533 3829 4384 4900 3309 11013 12904 8079 11397 9330 12660 3043 1 9586 1 6217 6917 11877 1 7967 13728 1 15831 12238 6058 2837 14814 20777 7477 11246 7729 6706 2239 8070 1 7823 8243 7705 7008 7215 6536 7272 6129 8454 6321 8876 233.9315 *233.9317* C7 H6 O S4 - 6.429925 1 1 1 1 6226 2242 1 1 6408 1 1 1 3646 2153 5479 2361 1 1 5903 6185 1 1 3896 5854 10426 6897 2286 1 4840 5006 1 1 2225 1 1 1 1 4205 3007 4485 1 1 1 5676 1 1 1 2927 5979 7156 7196 5537 4421 4797 5880 6714 1 1 1 1 3091 1 1 3192 4629 1 1 1 6977 5040 5513 3694 1 7176 1 1 4635 1 1 1 1941 2536 1828 2589 5041 1 7327 1 2947 1 233.9317 *233.9317* 233.9317@7.4943776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 233.9317 *233.9318* 233.9318@3.8253636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5735 1 1 1 1 1 1 1 1 5776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5143 1 1 1 4111 9435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9318 *233.932* 233.932@2.5032914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.932 *233.934* C5 H8 Cl2 O2 S2 4464 4206 3938 4620 4281 4413 5713 5012 4621 4075 5136 4634 1 1 3800 1 4150 4899 1 4566 4460 1 1 1 4166 3715 1 1 4499 4506 4748 4412 4739 6175 3984 4220 4632 3718 4433 1 1 1 5563 4788 5054 5866 5113 4739 4699 4901 6792 5007 4201 1 5056 4791 5419 5904 5623 6054 5189 5528 4956 5248 6089 5811 5128 1 4227 5448 3951 1 5727 1 4148 1 5780 4945 5914 4827 5094 4754 5440 4883 5260 5798 1 1 5128 5428 233.934 *233.9813* 233.9813@1.0840791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9813 *233.9833* 233.9833@1.0676085 1 1 4167 4253 10070 9794 5592 6199 6704 7028 2659 3021 1 1 1 1 1 1 6204 6993 1 1 5195 5467 1 1 3287 1 1 1 1 1 1 1 2934 2627 1 1 1 1 1 1 1 1 1 1 38416 36932 1 1 1 1 1 1 2570 2735 1 1 1 1 2164 1 1 1 1 1 1 1 1 1 1 1 1 2902 1 1 1 1 5855 5531 1 1 1 1 3695 4575 1 1 1 1 233.9833 *233.9858* 233.9858@0.8914767 1 1 1 1 2832 1 1 1 1 1 1 1 1 1 1 1 1 1 10265 6936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9858 *233.9903* 233.9903@0.86528623 1 1 1 1 2990 6268 1 1 1 1 1 1 1 1 1 1 1 1 1 4349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3607 3374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5507 7245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9903 *234.0054* 234.0054@0.75468785 1 1 1 1 1 1 1 1 1 1 1 1 12959 12243 1 1 1 1 1 1 1 1 1 1 16691 19229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14813 15491 1 1 1 1 7305 6802 9857 11580 1 1 1 1 43014 44777 1 1 1 1 26011 28964 234.0054 *234.0086* 234.0086@0.8749598 1 1 1 1 1 1 3586 3280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0086 *234.0111* 234.0111@0.7744204 1 1 1 1 1 1 1 2409 1 1 5275 6569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6332 1 1 5283 5631 1 1 1 1 1 1 7324 6326 1 1 1 1 1 6336 4204 3603 2840 4348 1 1 1 1 1 1 1 1 4648 1 1 1 5586 3253 2961 4915 1 1 1 1 1 1 4117 1 1 1 1 1 1 1 1 1 1 15331 1 1 1 1 234.0111 *234.0162* 234.0162@0.7722218 1 1 1 1 4921 7764 1 3839 3788 4994 1939 2338 1 1 1 1 1 1 8505 8028 1 1 4524 7746 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 6502 1 1 1 1 1 1 1 9256 4012 1 2803 1 1 1 1 6828 5848 1 1 7470 7895 15702 15825 3380 5814 1 1 1 1 1 1 3349 4109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0162 *234.0176* 234.0176@0.7697387 1 1 1 1 2697 1 1 1 1 1 1 1 1 1 1 1 12123 10945 1 1 1 1 3511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5422 4788 1 1 1 1 1 1 1 1 1 1 1 8666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0176 *234.0176* 234.0176@0.9027755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0176 *234.0375* 234.0375@1.8443849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0375 *234.0579* 234.0579@2.9593391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6022 2343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5820 6189 1 1 1 1 234.0579 *234.0631* 234.0631@1.278273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0631 *234.0721* 234.0721@1.0227891 1 1 1 1 1 1 1 1 10924 8001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9483 4681 1 1 1941 6327 1 1 2484 2686 1 1 1 1 1 1 1 1 1 1 1 1 4457 5386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7745 10633 1 1 3305 6458 1 1 1 1 1 1 234.0721 *234.0732* 234.0732@2.982686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3862 5337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0732 *234.0736* 234.0736@1.0717094 1 1 1 1 1 1 1 1 1 2887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6175 1 1 1 1 1 1 1 1 1 1 1 234.0736 *234.0788* 234.0788@1.9743547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5592 6553 1 1 2438 1 234.0788 *234.0818* 234.0818@2.978881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3568 1 1 1 1 1 1 1 1 1 1 234.0818 *234.0841* 234.0841@1.9725106 1 1 1 1 1 1 1 1 1 1 2020 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2207 3393 3751 1 3380 1 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 3357 2485 2308 1 1 1 1 1 1 1 1 1 1 3571 1 1 1 3481 1 1 1 1 1 1 1 234.0841 *234.0853* 234.0853@1.1070033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0853 *234.0903* 234.0903@1.9786876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11717 1 1 234.0903 *234.1569* 234.1569@1.1309842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8847 10508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7382 1 1 1 1 1 1 1 1 1 1 234.1569 *234.1601* 234.1601@1.1322923 1 1 1 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1601 *234.161* C15 H22 O2 10038 4590 24816 5257 1 3136 1 1 7468 7453 6646 7024 5138 5400 2882 1 2776 2912 3500 3877 5327 4215 1 1 3354 8971 1 1 1 1 3447 1 1 1 32390 10528 7696 7701 3823 1 5094 4119 5353 5635 6043 5701 2902 4359 3975 3511 1 1 3596 3863 7512 4996 1 1 4748 4927 3885 1 6113 9665 7236 7275 8753 8505 1 1 4250 4306 17936 18290 3018 3147 2523 2384 12755 5192 5295 4310 5748 4898 5203 5329 1 1 6493 6095 234.161 *234.8737* 234.8737@0.8018756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 1 1 1 1 1 234.8737 *235.0471* 235.0471@2.834854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4013 1 1 1 1 1 1 1 1 1 235.0471 *235.0519* 235.0519@0.739772 21316 21435 1 1 1 1 1 1 1 1 10973 10771 1 1 1 1 1 1 1 2971 5640 5398 1 1 1 1 1 1 1 1 1 1 1 1 17924 17737 1 1 1 1 1 1 1 1 1 3054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21837 23296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14054 13765 235.0519 *235.0761* 235.0761@1.9708693 1 1 1 1 1 1 1 3493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2838 1 2957 1 1 1 1 1 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 2376 4204 4574 1 1 1 1 235.0761 *235.0837* 235.0837@1.9927709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2440 9113 11211 1 1 1 1 1 1 1 1 1 1 26946 19357 1 1 1 1 1 15809 1 1 1 9124 1 1 1 1 1 1 1 1 235.0837 *235.0972* 235.0972@1.9757102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5824 5337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.0972 *235.9945* C10 H4 O7 1 1 1 1 1 9411 1 1 1 1 9104 10090 1 1 9131 3908 1 1 10733 1 1 1 10975 10885 10123 8795 8130 6406 10486 10040 1 10060 1 1 1 1 1 8772 10931 1 1 11088 1 1 1 11352 9355 8878 1 1 8839 10046 1 1 7908 9417 1 1 12018 11960 7781 1 1 1 10408 12942 1 10408 1 1 1 1 7952 1 1 9295 1 1 10053 10740 1 4047 1 12485 9280 9210 1 1 1 9932 235.9945 *235.9974* 235.9974@0.93499684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4349 4381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9974 *236.0212* 236.0212@0.7185791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.0212 *236.028* 236.028@0.7145607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6602 6904 1 1 9169 7592 1 1 1 1 1 1 1 1 1 1 6488 7457 1 1 1 1 10831 9995 1 1 1 1 1 1 5355 4606 1 1 6628 6958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.028 *236.033* 236.033@3.0414157 1 1 1 1 1 1 4195 1 1 6856 4094 1 5449 5400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12189 14851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5917 8363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.033 *236.0332* 236.0332@3.2210515 1 1 1 1 1 1 1 1 7789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.0332 *236.0336* C11 H9 Cl N2 O2 1 1 7064 6534 1 1 1 1 1 1 2402 1 1 1 5261 6100 5565 7744 7121 6545 4432 5451 9431 10266 3645 5832 3525 3493 1 2239 1 1 1 1 6666 7109 1 2493 5227 6693 1 1 1 1 4078 3021 1 1 3254 6191 12314 4313 8885 8902 1 1 1 1 3801 3394 7088 6440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10986 8329 4539 4966 5800 5585 11724 9647 8638 8349 1 1 1 1 236.0336 *236.0387* 236.0387@0.7368385 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3712 4063 4406 3755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3726 3777 1 1 1 1 1 1 3368 1 1 1 1 1 7754 8146 1 1 1 1 1 1 236.0387 *236.0482* 236.0482@0.7392637 1 1 1 1 1 1 1 1 1 1 50785 50253 1 1 1 1 1 1 11782 1 1 27858 5131 5214 1 1 1 1 1 1 1 1 1 1 83061 84209 1 1 1 1 1 1 1 1 13154 13796 1 1 1 1 1 1 1 1 1 1 5271 5022 1 4945 1 1 1 1 1 2111 1 1 1 1 1 105375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67218 65418 236.0482 *236.0623* 236.0623@1.9722265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2592 1 1 1 1 1 236.0623 *236.065* C8 H16 N2 O2 S2 20434 27984 15090 12945 11397 11062 47233 52171 18736 15006 23190 23072 11137 11185 6379 5896 4646 5633 25472 23660 11732 5884 7395 10390 6961 7099 13055 13497 10961 12005 9874 9474 16870 17525 11323 11370 13356 12881 9964 9633 15030 15582 10026 10362 11474 11728 13120 12975 9297 10122 15839 16464 8188 8675 12704 12160 20980 20345 12915 14870 11141 10573 12638 12416 8768 9631 12733 13690 10173 8201 17307 18067 9893 8706 7415 7578 7314 7847 16797 18038 18080 17644 15642 15367 18503 17352 16744 16784 18083 18645 236.065 *236.0654* 236.0654@2.456119 6897 1 3227 4556 1 1 8380 1 1 4538 1 1 1 1 1 1 1 1 1 1 1 4640 3690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.0654 *236.0683* 236.0683@1.9671314 1 1 1 1 1 1 3791 3833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2052 2308 2721 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 1 1 2120 1 1 1 1 236.0683 *236.1015* 236.1015@1.9752094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4886 4885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1015 *236.1032* 236.1032@1.3580012 1 1 1 1 1 1 1 1 1 1 1 1 1 4480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1032 *236.104* 236.104@1.2794695 1 1 1 1 1 1 1 1 1 1 1 1 269819 285957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.104 *236.1044* 236.1044@1.2058389 1 1 1 1 1 1 1 1 1 1 1 1 138116 129776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1044 *236.1423* 236.1423@1.1085676 11738 11572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1423 *236.1495* 236.1495@1.109095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4558 4935 4305 4283 1 1 1 1 1 1 1 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1495 *236.1549* 236.1549@1.1046844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3006 3605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 4927 1 4241 1 1 1 1 1 1 1 1 1 23519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1549 *236.1571* 236.1571@1.1001493 1 1 1 1 1 1 1 1 1 1 1 1 4661 3672 1 1 1 1 3463 3507 1 1 2296 3046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1571 *236.1694* 236.1694@1.0925108 1 17951 1 1 1 1 1 1 1 1 7796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 2628 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4534 1 1 1 1 1 1 1 1 1 236.1694 *236.176* 236.176@1.0981904 1 1 16496 1 1 1 1 1 1 1 1 1 1 1 1 1 3559 3386 1 1 1 8230 1 1 1 1 1 1 1 1 1 1 2047 2739 1 1 1 1 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 2634 2771 1 1 1 2264 1 1 3017 3189 144183 23005 82943 67172 2937 2945 2762 3330 5777 6513 6598 38288 4520 4983 3376 2844 5922 6100 1 4122 4405 4648 6171 5357 4394 4753 4053 24934 236.176 *237.0158* 237.0158@3.0374713 1 1 2633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6197 1 1 1 1 1 1 3396 1 1 1 1 8191 13370 1 1 1 1 1 1 1 13555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5450 1 1 1 1 1 237.0158 *237.016* C6 H8 Cl N3 O5 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 1 1898 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 2149 1 2286 2812 2969 2731 2649 1 1 2394 2841 2480 2755 3270 2891 1 1 1 1 1 1 1 1 1 1 1 1 1672 1 1 1 2101 1 1 1 3155 3348 3111 3237 3058 2854 1 1 1 2715 237.016 *237.0163* C7 H12 Cl N3 S2 1 1 5187 7753 8382 10723 20811 14482 1 1 18559 19388 17120 18212 1 1 4929 1 1 5729 1 1 1 1 5167 1 1 1 13402 19922 1 1 10227 8310 6531 3162 1 1 1 1 9216 5648 1 1 1 1 6528 6263 24680 10512 1 1 1 1 1 1 1 1 1 1 8694 8567 1 1 8132 5875 22486 17855 1 1 9279 8995 1 2356 1 1 1 1 1 1 22478 31884 1 1 2390 8389 1 1 1 1 237.0163 *237.0276* C11 H11 N O S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5051 4850 1 1 1 1 1 2098 2982 3239 1 1 1 1 2832 3158 1 1 1 1 12727 12314 3423 4036 3741 3295 2426 2402 5712 5393 4087 3998 3469 3672 2606 2821 2816 2588 4698 4857 3483 3346 3684 3136 1 1 3328 3958 3700 3787 3238 3643 12511 12358 2893 2915 1 2169 1 1 1 1 3463 3780 2611 2477 4557 5005 1 2516 3045 3032 237.0276 *237.0648* 237.0648@2.7120628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11417 10358 1 1 1 1 237.0648 *237.0998* 237.0998@3.7476094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4763 5245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4459 4861 1 1 1 1 1 1 1 1 1 1 1 1 4942 4739 1 1 1 1 1 1 1 1 2615 5657 1 1 5648 5352 1 1 1 1 1 3819 1 1 1 1 1 1 4791 4793 4248 3970 1 1 4717 1 1 1 4308 4229 237.0998 *237.1025* C12 H16 Cl N3 2031 1 1 1 4359 4185 1 1 5769 5292 3519 3163 10736 10082 8536 7628 5762 6613 7830 8205 2501 2326 4724 4630 1 1 6598 6519 1 1 7617 7435 1 1 1 2243 21211 22132 10437 11012 4322 3904 1 2244 3299 3372 5827 5565 3268 2620 1 1 6235 6187 5615 5207 3355 3162 6738 7161 1 1 8677 8708 11758 13487 9705 9338 1 1 11448 11987 7590 7591 2975 2538 3023 3330 4512 4964 1 2413 2726 2939 4175 4691 5264 5398 1 1 237.1025 *237.1068* 237.1068@1.1254228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1068 *237.1083* 237.1083@5.8206267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1083 *237.1099* 237.1099@1.9733517 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3435 1 1 1 1 237.1099 *237.1111* 237.1111@1.1036532 1 1 4676 4414 4473 4246 2801 3973 3914 4843 4860 5350 4143 4131 5299 4976 6058 7002 9185 10213 4063 3439 4598 5734 3886 3766 4796 5060 7048 6603 4139 3489 5207 4403 3160 4307 4235 4123 5216 4793 6149 7958 4055 3363 4198 3794 3820 3371 4474 4423 6097 5906 3807 4089 3619 3064 2766 3119 3008 3391 3167 3005 3972 2957 5356 3368 3069 3246 2581 3827 4886 9572 4102 4049 4372 4414 3018 3404 3619 4098 3333 11593 3271 3593 3685 3368 2825 3609 2564 3010 237.1111 *237.1157* 237.1157@1.1078708 7160 6069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1157 *237.956* 237.956@1.4020215 11023 30724 1 1 1 1 1 1 1 1 26619 1 1 1 1 1 1 1 4494 6286 9219 12927 1 11292 1 1 1 1 1 1 1 1 1 1 1 20945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51962 20475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15857 18763 237.956 *237.9561* 237.9561@1.2925965 8019 7184 1 1 1 1 1 1 4373 6230 37993 41531 1 1 1 1 1 1 11050 15749 15467 20852 9310 1 1 1 1 1 1 1 1 1 1 1 3512 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3473 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2506 3389 237.9561 *237.9561* 237.9561@1.4507626 9005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20946 1 237.9561 *237.9563* 237.9563@1.1968676 4913 5105 1 1 1 1 1 1 1 1 7610 8094 1 1 1 1 1 1 1789 1620 4040 3867 1 1 1 1 1 1 1 1 1 1 1 1 3839 4276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4793 4376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2475 2868 237.9563 *238.0134* 238.0134@1.9713964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2295 2395 1 1 1 1 1 2744 1 1 1 1 1 3484 1 1 1 1 1 1 2184 1 1 1 3318 1 1 1 3071 3224 1 1 1 1 5142 4758 1 1 3340 2965 5032 5124 1 5082 1 5483 1 1 3368 3410 1 1 1 1 3482 4449 1 1 1 1 1 1 1 4030 1 1 6480 6548 6412 5621 1 1 1 1 1 1 238.0134 *238.0146* C8 H6 N4 O3 S 3060 3331 2223 2421 1 3112 1 1 1 1 3349 3682 2162 1 1 1 2469 1 1 1 2614 1 1 1 2997 3449 3026 1 1 3200 1 1 2826 3420 1 1 2807 3218 1 3865 1 3782 1 1 4583 4510 4073 3871 1 1 5249 5068 1 1 1 1 4716 1 5995 1 3743 3775 1 1 4260 3654 3213 1 1 1 1 1 1 1 2712 2667 3771 1 3699 3714 1 1 1 1 6211 6354 3155 2728 4636 4642 238.0146 *238.0193* 238.0193@1.9672327 1 1 1 1 3034 1 3651 3295 3112 1 1 1 1 1 1 1 1 1 1 3166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3054 1 1 3052 4046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0193 *238.0862* 238.0862@1.2915437 1 1 1 1 1 1 7504 7239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0862 *238.0938* 238.0938@1.2853069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0938 *238.1003* 238.1003@1.2923594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5126 1 1 1 1 1 238.1003 *238.1098* 238.1098@1.1636497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4565 33091 1 1 1 1 1 1 1 1 1 1 1 1 1 4738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4398 4274 1 1 1 1 1 1 1 1 1 1 238.1098 *238.1156* 238.1156@1.187285 1 1 1 1 1 1 1 1 1 1 1 1 3607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1156 *238.1225* C11 H18 N4 S 1 1 3338 1 1 3360 9462 1 5189 4870 5543 7263 5936 7988 7411 6581 5458 6237 1 3358 7685 7496 1 1 12131 11643 7590 7966 20620 1 1 1 1 1411 4615 4902 1 1 1980 2507 11831 10825 3660 4445 1 1 1 1 1 1983 7333 4590 5130 4905 1 1 1 4223 1 1 1 6884 1 1 5052 5954 1 2100 4770 4898 1 1 3865 1 1 1 1 1 1 1 1 1 6233 5431 1 1 1349 1 5156 4470 238.1225 *238.1227* 238.1227@0.8318471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15434 14005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1227 *238.128* 238.128@2.87937 1 1 1 1 1 1 10578 9679 5963 4666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.128 *238.1299* 238.1299@1.1507794 1 1 1 3699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5858 1 1 1 1 1 8736 1 1 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1299 *238.132* 238.132@1.1491987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8054 1 1 1 1 1 1 1 1 1 1 3233 1 1 1 3526 1 1 1 6664 4691 1 8050 1 1 1 1 1 1 1 5738 3560 1 1 8784 7569 1 3310 1 1 5219 1 1 1 9051 7681 1 1 6856 7333 1 1 1 1 238.132 *238.1404* 238.1404@1.143058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8188 1 1 1 1 1 1 1 1 1 1 1 1 1 6102 1 1 7749 1 1 1 1 1 1 1 1 1 1 1 1 2695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8416 1 3064 1 1 1 1 1 1 1 8935 1 1 238.1404 *238.1462* 238.1462@1.1414781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4884 1 1 1 1 1 1 4225 8214 1 1 1 1 1 2625 1 1 5416 1 1 1 1 1 1 1 1 8486 1 4907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5178 5386 1 1 2274 1 1 1 1 1 1 1 7354 1 1 1 238.1462 *238.1526* 238.1526@1.1283714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1526 *238.1593* 238.1593@1.0861293 1 1 1 1 1 1 4429 4949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 2525 1802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1593 *238.1625* 238.1625@1.0685457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1625 *238.1801* 238.1801@1.0491815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8660 8675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1801 *238.1848* 238.1848@1.10279 1 5168 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 3605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1848 *238.1878* 238.1878@1.0502994 4626 1 1 1 1 1 1 1 1 1 1 1 2656 2608 1 1 1 1 3318 2666 1 1 1 1 6814 7073 1 1 1920 2271 1 1 4230 2942 1 1 3466 2803 1 1 1 1 1 1 1 1 1 1 1 1 6399 5505 1 1 3880 2922 1 1 1 1 1 1 2848 1808 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1878 *238.1917* 238.1917@1.1124586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1917 *238.957* 238.957@1.4010488 4421 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.957 *239.0131* 239.0131@3.0380242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7348 1 1 1 1 1 1 1 1 1 239.0131 *239.0532* 239.0532@1.9782777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0532 *239.0564* C8 H14 Cl N O5 4301 4088 5040 4854 4929 5084 6564 6437 4543 4922 4270 4557 1 1 1 3444 3777 3857 6451 6185 5503 5002 1 3816 4134 3742 6446 10037 4593 4910 5395 5615 6630 6871 1 1 5639 5385 4628 4689 4747 5031 4722 4532 5313 5410 4948 5148 1 1 5167 5883 1 4231 3785 3772 6059 6035 1 1 4800 4996 6669 6701 3143 5637 6108 5505 1 1 5218 5332 5317 5271 1 1 5666 5186 1 10179 6737 6762 6366 5861 6849 6911 8447 4856 6129 5862 239.0564 *239.0609* 239.0609@1.9928185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9394 1 1 1 1 1 1 1 1 1 1 1 239.0609 *239.0778* 239.0778@2.6939971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10711 1 1 1 1 1 239.0778 *239.0783* 239.0783@2.814622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5463 6449 1 1 1 1 239.0783 *239.0784* 239.0784@2.7270744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9316 17874 1 1 1 1 239.0784 *239.0841* 239.0841@0.88599485 1 1 1 1 3258 1 1 1 1 1 1 1 1 1 1 5444 1 1 12956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0841 *239.0843* C9 H13 N5 O S 44387 48495 35309 39274 36916 39424 25755 25109 108998 119019 154328 151654 15355 16613 23634 17487 31781 30885 7938 26926 54494 61086 125985 115070 30554 32786 98302 94116 43514 47328 15238 14535 202316 248026 11406 10969 187296 190685 33588 36614 189289 191377 53486 53734 71163 74234 75320 74715 12171 28782 141147 132358 83585 87301 166231 160177 92437 93259 39030 39973 51821 50139 45508 43756 24648 12776 58873 57885 61743 80674 111464 110236 56226 53364 13521 13790 33389 34000 356741 372535 129701 129588 178144 167019 124059 124830 16722 16057 68142 76709 239.0843 *239.0854* C5 H13 N5 O6 11622 11186 11816 12332 12828 14327 12556 12986 3191 14585 14293 14233 14372 13951 15066 14327 15561 14757 17664 18400 15689 16243 15864 16320 18385 16945 16360 15757 16897 16572 19975 20093 18990 18207 20150 20077 17591 16673 16290 16446 20248 20561 17440 17570 17879 17355 18263 18814 19688 19107 21991 22139 22168 21755 18412 18115 19226 18393 17995 17149 17693 18534 22578 22671 19618 19277 22803 22514 21360 23359 25925 24464 20558 20493 23420 24047 21225 20925 19631 19815 20682 21285 21363 22285 22945 23273 23492 22909 19127 19494 239.0854 *239.0859* 239.0859@5.6352863 1 1 1 1 1 1 1 1 11807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0859 *239.2128* 239.2128@0.86085653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3086 2098 1 1 1 1 1 1 1 1 1 1 239.2128 *239.9695* 239.9695@0.97731364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9695 *239.9752* 239.9752@1.5385457 1 1 1 1 1 1 3298 3292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9752 *239.9754* 239.9754@1.4610907 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9754 *239.9935* 239.9935@0.71403086 1 1 1 1 1 1 10743 7330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9935 *240.0024* 240.0024@0.71010697 1 1 1 1 1 1 1 1 2653 3021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3393 3410 240.0024 *240.0087* 240.0087@0.7073197 1 1 1 1 1 1 1 1 1 1 1 1 3680 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0087 *240.0411* 240.0411@1.6521666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19695 17231 1 1 240.0411 *240.0413* 240.0413@1.4576793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16443 13209 1 1 240.0413 *240.0699* 240.0699@1.0500884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 2472 1 1 1 3603 2462 1 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 5095 4001 1 3888 1 1622 4078 3103 1 1 1 1 1 1 1 1 1 1 2429 4583 1 1 240.0699 *240.074* C10 H12 N2 O5 53128 51790 86948 86447 64556 67108 102403 99468 90619 89545 80070 79133 143647 148337 31472 29235 61437 62193 17344 20998 37298 34194 38352 42552 19225 20252 6619 7728 13490 13592 13865 13993 18229 1 40232 39269 27408 22730 18564 17361 15206 16069 10953 14719 15298 15983 13888 16157 6270 4135 1 1 68876 67384 28222 27836 20765 17556 33911 33928 4930 4903 3333 2570 9184 10509 12136 9429 3646 1 6414 6055 7168 19215 7223 6096 8693 10283 1 10012 4501 6352 9386 11200 3181 1 1 3315 1 3591 240.074 *240.0767* 240.0767@2.7120624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14094 12235 1 1 1 1 240.0767 *240.0781* 240.0781@2.8076172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6101 6849 1 1 1 1 240.0781 *240.0796* 240.0796@0.9531796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6259 1 11530 1 1 1 1 1 7806 1 1 1 1 1 6769 4613 1 1 5047 1 240.0796 *240.0822* 240.0822@1.9000803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3448 1 1 1 1 1 1 1 1 240.0822 *240.0888* 240.0888@0.88309246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5417 1 1 1 1 7688 1 1 1 1 1 1 1 1 1 1 1 5663 98187 1 4868 1 1 1 1 1 1 1 1 1 1 1 1 1 7829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7796 12860 18215 1 31588 35436 1 1 1 1 1 1 1 1 1 1 1 33230 1 1 1 1 24977 16684 240.0888 *240.0911* 240.0911@1.0999043 1 1 1 1 1 1 2798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0911 *240.0932* 240.0932@1.9749687 2428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4682 4218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4620 1 1 1 1 1 1 1 1 1 1 1 240.0932 *240.099* 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid - 1.2696713 187495 214136 17581 17613 14988 15908 3820 41584 9599 10079 168843 172723 36389 38344 7406 8147 46224 46122 541779 575083 118859 133180 515932 538497 35187 33288 4681 5179 198714 203123 37916 37333 245504 246604 6531 6224 13122 11273 16922 17347 12039 12682 13437 14466 331674 333592 231332 211464 93230 89403 16057 18679 17249 18751 25922 28437 98405 104330 79017 80825 14113 13943 22679 21106 45096 93909 41834 39070 7563 8182 188636 188356 27248 28972 25809 26850 26843 26656 231559 232122 95314 94553 133601 139828 72184 68211 9651 9941 63963 66528 240.099 *240.0991* 240.0991@1.357203 3417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4131 3601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0991 *240.1* 240.1@1.1510826 1 1 1 1 1 75466 1 1 49303 47702 1 1161548 262859 259709 1 1 288543 296851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1 *240.1002* 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid 1597368 1592387 105741 105000 70355 3284 243952 241937 4458 3380 1174222 2240 4043 3563 34724 33041 6226 6779 3095097 3085174 906447 903504 2393445 2412703 212372 215457 23450 24080 1146432 1143652 249676 259326 1502600 1494018 47120 47289 68356 69440 112377 112016 59118 1 82068 83178 2054152 2048733 1225508 1210093 599007 586205 99782 100130 102861 107813 175599 173148 697814 689169 461717 467281 1 1 127519 130099 169315 171209 259533 255758 41218 40069 1339519 1315895 179460 182475 149895 151733 174625 173063 1412712 1475798 585137 580839 910690 931939 409026 398941 46700 54396 484683 486002 240.1002 *240.1058* 240.1058@1.1150763 1 1 4025 4419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1 1 1 70595 71474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1058 *240.1226* 240.1226@1.0606903 1 1 1 1 1 1 1 9656 1 1 1 1 1 1 1 1 1 1 1 1 7226 6289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1226 *240.1301* 240.1301@1.0520668 1 1 8164 1 1 7061 1 1 8531 200633 12530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1301 *240.1353* C9 H16 N6 O2 14522 12161 1 10156 3653 1 8582 1 1 1 1 10504 9027 11418 1840 9915 11212 11511 12753 11839 1 1 12011 11066 13025 11184 14976 16180 10344 8854 3809 4012 3966 4116 12979 12473 13272 11987 4111 4283 20124 15137 9939 9349 6672 5480 8962 9093 8085 6821 11040 9140 8382 7075 15220 15365 5349 4674 7155 8037 10984 11263 12383 14411 10823 10792 9251 8910 9937 7681 7583 9729 15296 14787 7978 8645 7379 7912 10671 5457 12566 11921 11906 13147 8412 7250 2919 1 8909 10604 240.1353 *240.137* 240.137@1.050693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.137 *240.1644* 240.1644@1.1369154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6806 1 1 1 1 1 1 1 1 4534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6919 4944 1 1 1 1 1 1 1 76922 76508 1 1 1 1 1 1 1 1 1 1 60277 1 1 1 1 1 1 36932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1644 *240.1675* 240.1675@1.1316365 1 1 3593 2955 1 1 5214 3219 1 1 2674 2586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42590 1 5805 1 49894 1 4010 31518 1 28963 32098 21030 20162 1 1 1 3908 1 1 1 1 1 3133 1 1 1 35152 7613 35399 1 1 1 1 1 1 1 70546 7278 6338 1 1 5217 1 1 1 1 1 1 76032 1 12389 1 1 1 1 1 1 1 64255 1 1 1 1 240.1675 *240.2282* 240.2282@1.2027122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7219 1 1 7749 6458 1 1 1 1 34235 38092 1 1 58984 1 1 1 1 1 1 1 1 1 1 1 1 3622 43273 41038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.2282 *240.284* 240.284@1.1741033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1227 1 1 1 1 2231 2431 1 1 1 1 1 13788 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 2850 1 1 1 3837 240.284 *240.2852* 240.2852@1.1490232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12181 1 1 1 17705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.2852 *240.8302* 240.8302@1.160606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.8302 *240.8436* 240.8436@1.1522382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.8436 *240.8493* 240.8493@1.1495823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.8493 *240.8673* 240.8673@1.1525168 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.8673 *240.8861* 240.8861@1.15015 1 1 1 1 1 1 1 1 1 1 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.8861 *240.9155* 240.9155@1.1505383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.9155 *240.9256* 240.9256@1.1468694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 3033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.9256 *240.9347* 240.9347@1.1470332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 240.9347 *240.9391* 240.9391@1.1545593 2525 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.9391 *240.9659* 240.9659@1.1520785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.9659 *240.9765* 240.9765@1.1478386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 1 1 1 1 1 1 240.9765 *241.0006* 241.0006@1.1507647 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0006 *241.0016* 241.0016@1.1491076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0016 *241.0264* 241.0264@1.0955185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8815 8572 1 1 1 1 241.0264 *241.0407* 241.0407@2.1294222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8762 11954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0407 *241.0551* C14 H11 N O S 1 2167 2012 1 1658 1973 1 1 1 1 3192 2655 1 2121 3449 3356 1 1 7061 6989 2224 2374 2121 1 4897 4851 5493 5645 7883 7788 2496 2543 3983 4408 2799 2749 4099 4299 4987 5222 6328 6969 4255 3908 5589 6621 5288 5351 5583 6228 2922 3095 3507 3738 6707 6747 6811 7011 20303 20412 6863 6871 8322 8982 8890 9209 10414 9855 9150 8707 12794 11855 5808 5765 2896 3238 3885 4287 6334 6657 11556 11595 3176 3422 8812 8956 8551 8093 7672 7672 241.0551 *241.0718* 241.0718@2.7130628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22867 24790 1 1 1 1 241.0718 *241.0783* 241.0783@0.7118425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 1 1 1 1 1 1 1 241.0783 *241.2311* 241.2311@1.1490998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12386 1 1 1 7975 1 1 1 1 1 1 1 1 1 4258 1 1 1 1 1 1 1 1 1 1 4985 6043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2311 *241.2791* 241.2791@1.1507638 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2791 *241.2878* 241.2878@1.1482154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5431 6117 1 1 5278 4255 1 1 1 1 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2878 *241.2911* 241.2911@1.1527553 1 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2029 1 1 1 1 1 1 1 1 1 1 1 241.2911 *241.8229* 241.8229@1.1471337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.8229 *241.8772* 241.8772@1.148137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.8772 *241.9897* 241.9897@0.7358055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4980 5570 1 1 1 1 1 1 1 1 5880 5603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.9897 *242.0081* 242.0081@1.0966002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 2027 1 1 1 1 1 1 1 1 1 1 1 1 242.0081 *242.0364* 242.0364@2.8267305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4798 1 1 1 1 1 1 1 242.0364 *242.0448* 242.0448@5.542432 5569 1 1 8008 1 1 5098 1 1 1 8314 1 1 1 1 6887 1 1 7486 8096 1 1 1 1 1 1 1 1 5565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7461 1 1 6481 1 1 7696 1 5767 1 1 1 1 1 1 1 7195 8258 1 1 1 1 1 1 1 1 1 8926 1 1 1 1 1 6812 1 1 1 1 7805 6644 1 6397 1 1 1 1 6205 242.0448 *242.0458* 242.0458@1.0975016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 2588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4629 5445 1 1 242.0458 *242.0692* 242.0692@2.8086176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414307 585418 1 1 1 1 242.0692 *242.0805* 242.0805@1.663743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5360 5936 1 1 1 1 1 1 1 1 1 1 1 1 3652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5851 6794 1 1 1 1 1 1 1 1 1 1 242.0805 *242.0936* 242.0936@1.3270434 1 23765 1 1 1 1 201207 190090 1 1 1 1 1 1 1 1 444180 179936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24366 29009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28898 30316 302017 289795 1 1 242.0936 *242.0942* 242.0942@1.2194326 28097 1 1 1 1 1 252725 263234 1 1 1 1 1 1 1 1 1 192559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26742 14699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16111 367641 370709 1 1 242.0942 *242.0944* 242.0944@0.75214607 3368 1 1 1 1 1 6804 8663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6509 12487 1 1 1 1 1 1 1 1 1 1 242.0944 *242.0946* 242.0946@1.21481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0946 *242.1125* 242.1125@2.1763139 1 1 1 1 1 1 3129 3862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3768 1 1 4960 1 1 242.1125 *242.1135* 242.1135@2.019901 1 1 1 1 1 1 4672 2706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1135 *242.114* 242.114@2.1325247 4402 1 1 1 1 1 7670 8524 1 1 4739 3372 1 1 1 1 1 1 1 1 1 3504 1 1 1 1 1 1 1 1 7750 9321 7171 3576 1 1 1 1 7610 7553 1 1 1 1 1 1 1 1 2670 1 1 1 1 1 1 1 12698 15154 1 1 1 1 4225 6572 8303 7482 1 1 1 1 1 1 1 1 18001 18904 1 1 12339 10900 3132 3884 1 1 4664 4589 17206 12705 1 1 242.114 *242.1254* 242.1254@5.192079 1 1 1 1 1 1 2845 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2639 2600 1 1 1 1 4138 4422 1 1 242.1254 *242.1257* 242.1257@2.4727376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8160 8444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4035 1 1 1 1 1 242.1257 *242.1316* 242.1316@1.1617856 1 1 1 1 1 1 1 1 1 1 11189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1316 *242.1376* 242.1376@1.2280757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 6099 1 1 1 1 1 1 242.1376 *242.142* 242.142@1.1514133 1 15884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.142 *242.1425* 242.1425@1.274205 1 11230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6636 1 1 1 1 1 1 1 1 8326 10887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 10270 1 8892 4218 1 1 1 1 242.1425 *242.1497* 242.1497@1.418758 1 3797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3800 3338 4970 1 1 1 4885 5431 1 1 1 1 1 1 1 1 1 1 8429 8258 1 1 1 1 1 1 1 1 3336 3598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2897 1 1 1 1 1 1 6126 1 1 9135 7633 1 5054 1 1 1 1 1 1 242.1497 *242.1501* C14 H18 N4 1 1 26795 1 1 1 75107 76706 23993 24656 24472 38849 1 1 4595 1 1 1 1 1 1 1 1 14065 1779 5547 6642 7090 1 8801 1 7614 77415 73886 1 1 1 7174 9844 10016 43296 15474 1 1 20513 36589 42391 39584 26446 28717 10477 11386 1 1 1 1 66414 66940 52293 1 68880 69199 1 1 35040 38166 1 1 32980 1 1 1 1 1 1 1 1 1 52112 1 15801 14311 1 1 1 1 1 1 46034 44145 242.1501 *242.1503* 242.1503@1.3230522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11475 1 1 1 1 1 1 1 1 1 1 1 14812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1503 *242.1513* C13 H22 O4 15095 15529 10693 10197 11020 10618 9851 9541 12202 12312 10488 9054 15506 14068 12545 13676 15759 17636 17612 18469 1 1 1 17214 15078 15264 14953 15763 1 14653 1 1 12476 11501 16356 17165 2628 20358 1 1 1 19660 16285 17780 64375 15302 1 12714 8244 1 1 1 14641 15826 18195 19014 9318 9403 3326 13374 15669 15651 21834 21035 16530 14935 16875 15607 16249 21196 20540 19152 16064 16193 16674 16610 16710 17960 8409 10682 22902 22038 16675 15521 12194 13643 16471 1 16235 17318 242.1513 *242.1513* 242.1513@0.8881313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2680 2476 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 3214 1 1 1 1 1 1 1 1 242.1513 *242.1592* 242.1592@1.1419989 1 1 1 24630 1 1 1 1 1 1 1 1 1 1 1 19885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56758 1 1 1 1 1 1 1 1 1 1 242.1592 *242.1627* 242.1627@1.151677 18060 1 1 1 1 1 1 1 1 1 1 1 1 1 25713 1 1 1 1 1 32772 36229 1 1 19138 20679 1 1 1 1 1 1 1 1 1 1 1858 1 1561 1 1 1 1 7386 1 1 1 1 1 1 1 1 19368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1627 *242.1654* 242.1654@1.1407199 1 13223 1 1 25413 26190 1 1 1 1 1 1 23641 26522 1 1 18734 18117 1 1 1 1 1 1 1 1 1 1 40762 1 1 2417 1 1 1 1 1 1 1 1 1 1 20700 12498 1 1 1 1 1 1 1 1 1 1 27107 1 1 1 47176 47426 1 1 1 1 1 1 16907 20329 1 1 1 1 22524 23028 1 1 1 1 1 1 55611 55339 40109 28436 39828 1 1 1 1 1 242.1654 *242.1738* 242.1738@1.1355519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27580 1 1 1 1 1 1 1 1 1 38844 47628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1738 *242.1807* 242.1807@1.1400787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35622 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27591 29531 48288 48968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48638 34102 1 1 1 1 40106 40356 1 1 1 1 1 1 1 1 84606 82969 1 1 242.1807 *242.2196* 242.2196@1.9791563 1 1 1 1 1 1 3152 3646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2906 2978 1 1 1 1 3306 3151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3335 2910 1 1 2863 2942 3833 3977 1 1 2615 2654 242.2196 *242.9846* 242.9846@0.76756585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4851 5076 3212 3403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.9846 *242.9934* 242.9934@0.76995176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3064 1 1 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2670 1 1 1 1 3597 3342 1 1 1 1 1 1 1 1 1 1 242.9934 *242.998* 242.998@0.7671411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.998 *243.0089* 243.0089@0.7718179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4754 3105 1 1 1 1 1 1 1 1 1 1 1 1 243.0089 *243.0168* 243.0168@0.7762526 1 1 1 1 1 1 1 1 1 1 2620 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0168 *243.0196* C10 H13 N S3 1587 2179 4800 1 26512 29830 7956 13521 18960 18605 8829 13376 5245 1909 19236 19321 1 1 10248 7783 16313 9935 6093 9127 98824 101110 1 1 1 1 4907 35286 21311 11414 29546 28237 1 1 2931 2538 1 1 9017 9766 1 1 1 1 1 5544 13618 14776 1 1 29363 28330 1 1182 1 1 1 1 7424 8428 1 1 6315 12190 2845 22697 32436 29035 14943 12028 6590 6561 68497 66275 1 1 1 1 1 1 27587 22688 1 1 7512 39790 243.0196 *243.02* 243.02@0.83693755 1 1 1 1 3689 1 1 1 1 1 36552 31006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10897 6648 19277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37404 1 243.02 *243.0257* 243.0257@0.87420654 1 1 1 1 1 1 8250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6674 1 1 1 1 1 1 1 1 1 1 1 11713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5149 243.0257 *243.0329* 243.0329@0.87051857 1 1 1 10264 1 1 1 5341 1 1 1 1 1 4077 1 1 1 1 1 1 1 1 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11375 5905 1 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3798 1 1 1 1 1 1 1 1 1 1 1 7027 1 1 1 1 243.0329 *243.0417* 243.0417@0.87006474 1 1 6066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 1 1 1 1 1 1 8577 10368 1 1 1 1 1817 1 1 1 1 1 1 1 1 5279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0417 *243.0525* 243.0525@0.87196517 6049 6228 1 1 1 1 1 1 1 1 1 1 2228 1 1 1 4195 4166 1914 1 1 1 1 1 1 1 1 1 4664 5846 1 1 1 1 1 1 1 1 1 1 5624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9024 1 1 1 1 1 1 1 5481 1 1 1 1 1 1 1 1 1 1 1 1 7351 7787 1 1 6068 5624 2729 1 1 1 1 1 243.0525 *243.0538* 243.0538@2.040291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0538 *243.0549* Mono-N-depropylprobenecid 1 1 1 1 1 1 1 1 4251 4410 1 1 4410 4876 8237 7894 4451 3883 1 4149 1 3823 4329 1 6781 6815 1 1 4965 4683 4417 1 1 1 1 1 6309 6681 3916 1 7329 7374 1 1 1 1 5469 5264 6628 6113 5720 5790 6199 6527 5600 5627 1907 5669 4775 4328 5893 6193 5328 5501 1 1 1 1 5984 6393 1 1 1 1 5616 5883 5186 4772 4789 1 5814 5866 1 1 4209 4260 6621 5989 1 1 243.0549 *243.0552* 243.0552@0.86917555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 1 1 1 1 1 1 1 9326 1 1 1 3348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6773 1 1 1 1 1 1 1 1 1 243.0552 *243.0555* 243.0555@2.9376569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29056 28211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0555 *243.0654* 243.0654@0.8569923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12921 8699 1 1 1 1 7137 6859 4939 1 1 1 1 1 1 1 1 1 1 1 4907 5310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3582 9934 1 1 1 1 1 1 1 1 243.0654 *243.071* 243.071@4.8056154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4734 5184 1 1 1 1 1 3998 1 1 1 1 243.071 *243.0759* 243.0759@0.84098554 1 1 1 1 1 1 1 1 1 1 1 1 3292 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1 1 1 5380 5475 1 4336 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12380 3844 1 1 243.0759 *243.076* 243.076@0.84145266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7994 1 1 243.076 *243.097* 243.097@1.2755299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5697 1 1 1 1 243.097 *243.1072* C7 H13 N7 O3 6805 8079 4282 4594 6384 11271 4311 4672 5988 6384 7729 8129 4992 4978 10680 10228 4893 5710 16176 16358 10413 10435 8423 9232 18879 23189 14786 15960 18942 24091 11578 10976 13456 12982 11209 23508 20847 35864 12479 12830 29677 16252 24692 29157 13419 13879 18854 19508 19796 25368 21080 21206 16599 17913 26801 21609 20260 23228 19710 43692 30671 39247 13295 13335 26105 25420 33031 30847 21702 23101 32120 30496 21069 20283 15755 16390 26150 25692 25609 28490 30024 31136 26546 28475 26103 25729 18859 19134 19792 18191 243.1072 *243.1073* C6 H17 N3 O7 19631 20443 11797 13221 9875 6536 13503 13424 17046 18671 18926 19319 11611 11374 19710 18367 11960 12049 36284 37681 19983 21137 14922 15238 30294 28426 30813 30444 32981 27815 12207 13621 28828 29401 24655 10955 35713 22158 29651 28820 16334 30496 39953 37768 35482 36193 39010 37816 33640 28690 24632 24092 32234 31702 31530 34909 52901 53798 42449 18957 56439 47823 26231 26066 46157 46608 51365 51162 43316 43419 60755 60780 41495 41224 38439 38454 52948 54731 59144 59437 57908 57036 57263 57175 50536 49446 33510 32217 42770 42718 243.1073 *243.1585* 243.1585@1.1272727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 2125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1585 *243.1603* 243.1603@1.1577885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1603 *243.1613* 243.1613@1.1419882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2737 1 1 1 1 4840 1 1 1 1 1 1 243.1613 *243.1706* 243.1706@1.1433647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1706 *243.1809* 243.1809@1.2881885 6506 5898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 1 1 1 1 1 1 1 1 1 1 1 6606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6704 8353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6648 5753 9007 10942 243.1809 *243.1817* 243.1817@1.3248941 1 1 1 4614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1817 *243.1826* C13 H25 N O3 43976 43340 36184 35417 13947 13950 24572 25873 24341 25658 16469 16206 20557 20193 21623 19855 17963 18016 29037 27485 12609 14072 22791 24476 17159 17663 18652 18815 23568 23121 11232 11965 25672 24554 4631 4551 11389 10977 11360 11655 12967 11542 11452 11628 11278 10811 9744 9247 13306 12949 19354 18473 12769 12281 55698 55765 21244 23872 11328 10352 15525 15402 13587 14024 9995 12422 14138 13619 12364 12130 7390 7028 13548 14457 13823 13889 10130 10505 15933 16036 13363 10643 15576 15445 25586 24719 48361 48944 57496 56008 243.1826 *244.0068* 244.0068@0.7234231 5626 6042 1 1 1 1 5331 5239 16060 14472 14950 15881 7571 7451 1 1 1 1 1 1 1 1 18284 17057 1 1 1 1 6435 6755 1 1 1 1 21485 19928 1 1 1 1 15071 16218 1 1 1 1 20954 29530 1 1 1 1 1 1 1 1 1 1 1 1 9717 10329 1 1 1 1 14146 16380 1 1 1 1 12491 13584 3230 9874 1 1 1 1 2639 1 1 1 10555 13633 1 1 15410 14586 244.0068 *244.0074* 244.0074@0.91918665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1 1 1 1 1 1 1 1 244.0074 *244.0118* 244.0118@0.72409856 1 1 1 1 5400 5126 1 1 1 1 1 1 1 1 1 1 1 1 19765 20517 1 1 1 1 10317 5872 1 1 1 1 1 1 1 1 1 1 3924 4091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10466 9712 1 1 1 5984 20060 6844 1 1 1 3481 7666 8881 1 1 1 1 1 1 1 1 1 1 1 7372 1 1 1 1 1 1 244.0118 *244.0192* 244.0192@0.75078595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5903 3153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4527 1 1 1 1 1 1 1 1 1663 1 1 1 1 3026 1 1 1 1 1 1 1 244.0192 *244.0233* 244.0233@0.7195399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13018 9500 1 1 5611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11773 11938 1 1 1 1 1 1 1 1 244.0233 *244.0244* 244.0244@1.5387242 1 1 1 1 1 1 4954 4602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 1 1 1 1 1 1 2275 1 1 1 1 244.0244 *244.0268* 244.0268@0.7217431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3793 3450 1 1 1 1 1 3325 1 1 1 1 1 1 1 1 1 5867 1 1 1 1 1 1 1 1 1978 3896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0268 *244.0369* 244.0369@0.75729585 3051 1 1 1 15966 14983 1 1 1 1 1 1 1 1 13600 12976 1 1 12314 11505 1 4574 1 2870 1 1 1 1 4285 4268 1 1 3542 1 1 1 1 1 1 1 6248 5907 1 1 11036 12707 1 1 5033 9114 1 1 1 1 1 1 3191 3038 1 1 1 1 1 1 2890 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 6511 1 4760 4614 1 1 244.0369 *244.0428* 244.0428@0.771947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4739 1 1 1 1 244.0428 *244.0519* C12 H9 Cl N4 13414 11673 12860 11940 14297 12159 9516 8466 11598 12162 12098 12196 20343 22492 39465 38689 21218 25295 16383 14895 18243 17122 20037 18192 38829 39031 18505 23253 26282 25916 22147 18408 1 5205 3059 2825 34547 32677 20393 20172 34836 35309 9965 5433 13064 10551 24653 29761 29033 32252 26546 25560 31148 29203 30235 31059 23246 20395 22962 24908 29143 28376 27940 28211 13036 11892 15099 11508 19348 31420 15666 14360 11034 4618 29917 31150 26766 26699 19421 17082 22781 24979 12094 10731 13801 18969 33998 32577 5314 6128 244.0519 *244.0596* 244.0596@0.84260154 1 1 1 1 1 1 1 1 3595 1 1 1 1 1 1 1 1 1 1 3440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5005 5769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0596 *244.0668* 244.0668@0.8418693 1 1 1 1 9886 10107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3926 1 1 1 1 7290 1 1 1 1 3478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5465 1 1 1 1 1 1 1 1 1 1 1 4693 4725 5116 3892 1 1 5108 1 1 1 1 10823 1 1 1 1 1 1 1 10832 1 1 8499 7515 244.0668 *244.0681* 244.0681@1.7885293 1 1 3185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0681 *244.0681* 244.0681@0.8389858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0681 *244.069* Uridine 409419 404987 334064 336439 355028 351319 361442 361316 286613 288644 371509 368100 383947 382739 343977 333516 247936 255448 514351 515213 491134 494633 319403 319475 387697 388575 378015 377265 289565 294727 348121 362369 364963 368999 280516 280915 436304 437127 432250 427718 314578 311747 534258 545951 393367 393851 283976 283909 311254 304329 310770 316183 375545 372207 492858 484651 402890 411611 490001 503762 206985 210111 309222 309393 378807 379483 379927 379779 356992 364159 580291 579355 393700 398093 380525 386057 568034 573365 373688 378966 554237 542416 649690 655409 583039 586180 416797 422994 329658 325127 HMDB00296 C00299 244.069 *244.069* 244.069@2.2611294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.069 *244.0695* Uridine - 2.1736543 759934 745841 701441 712758 791829 795741 2620610 2599876 750885 759278 775928 773606 501869 494815 505185 493480 522985 530390 946371 947646 627894 630028 617252 616780 408460 413776 570961 568934 487373 494448 936088 954881 1199322 1207156 482363 476050 667991 675137 597849 591429 703337 711051 434316 441852 706875 708292 473836 475306 546295 549304 1024443 1014068 485773 480494 553160 549124 1007861 1013977 419278 425463 535074 536090 606736 618722 573338 586960 851736 823504 463912 476839 704499 689910 448165 446234 504142 503819 579767 569113 1788197 1828744 868032 871654 682757 688395 1211291 1209021 759606 756654 809741 801560 HMDB00296 C00299 244.0695 *244.0696* 244.0696@2.3278756 1 1 1 1 1 1 1784 4446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5145 1 1 1 1 1 1 1 6585 1 1 1 1 1 1 1 1 1 1 1 4204 1 10051 1 1 1 1 1 1 1 1 1 3890 1 1 1 1 1 1 1 1 4625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0696 *244.0726* C9 H13 Cl N4 O2 9297 12270 7344 5882 1 1 8879 8208 1 1 15665 19938 20521 20589 1 1 1 1 1 1 14766 15458 6978 7394 1 1 18670 4447 9588 9223 1 7806 19846 16300 1 1 14403 14987 47186 48976 7975 7641 10459 5671 19292 17908 9864 13159 8900 9722 27942 25631 6627 5771 1 14105 12390 12978 10843 10524 3831 4548 5670 5632 4115 4471 1 1 1 1 1 1 1 1 5762 5738 14311 1 7136 7408 16273 16351 12987 13673 1 1 50663 8517 1 1 244.0726 *244.0749* 244.0749@0.8262768 3770 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38316 1 1 244.0749 *244.0834* 244.0834@3.3568847 1 1 5772 7619 1 1 9594 9933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8056 9708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14205 13186 1 1 1 1 1 1 1 1 15859 15756 1 1 1 1 4977 1 1 1 1 1 1 1 1 1 244.0834 *244.0839* 244.0839@2.5234904 1 1 6878 5047 1 1 6860 8462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5144 1 1 7081 7372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9904 10330 1 1 1 1 1 1 1 1 9835 10262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0839 *244.0934* 244.0934@2.527126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5780 5551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4034 1 1 1 1 1 1 1 1 244.0934 *244.0991* 244.0991@2.537582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3757 1 1 1 1 1 1 1 1 1 244.0991 *244.1031* 244.1031@0.7626553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3844 1 1 1 2987 3339 1 1 1 1 1 1 244.1031 *244.1095* 244.1095@0.76179814 9921 11311 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1095 *244.1106* 244.1106@2.7730598 2268 2227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5251 5234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5976 5442 1 1 1 1 1 1 244.1106 *244.1241* 244.1241@1.5698013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2526 1 1 244.1241 *244.1299* 244.1299@1.5061793 1 1 1 1 1 1 8566 8525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4849 4701 1 1 1 1 5800 5415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5133 5370 1 1 5359 5170 1 1 12866 12296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1299 *244.1299* 244.1299@1.2960833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1299 *244.1678* 244.1678@1.1265831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11210 1 40589 30351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18253 1 244.1678 *244.1732* 244.1732@1.1303428 1 1 8844 1 1 1 21798 18973 6495 7156 10195 10049 11290 11267 10537 9750 1 1 1 1 1 1 9094 9740 13210 12795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9234 9346 1 1 25079 29390 15407 19798 9015 9474 1 1 9877 1 1 1 15915 15989 1 1 9356 8343 1 1 1 1 9257 9043 15492 14361 1 1 1 1 1 1 1 1 1 1 1 1 1 16269 1 1 1 1 1 17826 244.1732 *244.1824* 244.1824@1.1312324 1 1 1 10686 1 1 1 1 1 1 1 1 1 1 1 1 7251 7420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16585 16001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9391 9595 1 1 13081 13726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17407 17395 1 1 1 1 13412 1 1 1 1 1 244.1824 *244.1892* 244.1892@1.1334901 10917 10097 1 1 10351 10565 1 1 1 1 1 1 1 1 1 1 1 1 1 15583 18085 12824 1 1 1 1 1 1 1 1 25092 17456 1 1 1 1 12387 12217 27580 18023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13377 7174 6924 13033 12006 1 1 1 1 18045 17703 1 1 1 1 1 1 1 1 244.1892 *244.1908* 244.1908@1.1321957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1908 *244.1959* 244.1959@1.1357522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16227 16816 1 1 1 1 1 1 1 1 1 1 1 1 8031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14094 13620 1 1 1 1 1 1 1 1 27226 26381 1 1 244.1959 *244.1982* 244.1982@1.6068987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1982 *244.2003* 244.2003@1.6284732 1 4769 1 1 1 1 1752 1 1 1 1 1 2062 1 1592 1 1 1 4543 5306 5439 5603 1 2815 1 1 1 3513 1 1 1 1 2219 1 1 1 2725 3352 1 1 2213 1 4008 4561 2507 1 1 1 1 1 1 1 1 2587 1 4656 1 1 3336 5186 1 1 1 1 1 1 1 2601 1 1 1 4260 2384 1 1 1 5834 5282 1 1 1 4290 7306 1 1 1 1 1 1 1 244.2003 *244.2007* C10 H24 N6 O 13315 14473 11304 11766 13005 13758 1 1 11937 8124 11478 9757 1 4786 6558 7416 6233 7251 18116 19413 10139 7449 9873 1 1 1 1 8050 7741 5603 1 19036 1 1 5402 1 8504 9784 9814 9187 12754 11870 4257 5767 10428 12122 5158 6562 8887 6247 20601 19520 5362 6521 1 6062 17565 19367 4531 5217 1 1 8111 9437 5750 4493 15133 14866 2096 4442 11933 12499 5409 4987 7054 5852 7849 8381 1 1 15464 1 10135 11550 1 1 8707 1 9983 10630 244.2007 *244.2008* 244.2008@2.1987004 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 1 1 1 4407 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 1 1 1 244.2008 *244.2514* 244.2514@2.1731753 3802 1 4061 3351 2502 4360 1 1 4106 3961 2619 4246 1 1 1 1 1 1 5593 6513 1 1 1 1 1 1 1 1 1 1 6026 3956 1 1 1 1 3029 3296 1 1 3809 3284 1 1 3625 4385 1 1 1 1 6742 5556 1 1 1 1 5813 6276 1 1 1 1 1 1 1 1 4764 4200 1 1 3817 1 1 1 1 1 1 1 1 1 4783 5028 1 3140 1 1 3866 1 4109 3555 244.2514 *244.7713* 244.7713@1.023572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7949 1 1 1 1 1 1 1 1 1 1 1 244.7713 *244.9061* 244.9061@0.9094103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 3427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 3486 4145 1 1 1 1 6972 7630 3399 3050 1 1 3851 5280 6184 5694 5332 5117 7834 6944 3931 3503 3023 2845 1 2309 244.9061 *244.9738* 244.9738@3.7110195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1969 1 244.9738 *244.9739* 244.9739@3.6461215 1 1 1 1 1 1 1 1 1 1 1 1 5049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 5221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1 244.9739 *244.9739* 244.9739@3.1121206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.9739 *244.974* 244.974@3.0136015 1 1 1 1 1 1 1 1 1 1 1 1 1 2975 1 1 1 1 4763 1 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 10724 12828 1 1 4884 1 1 1 33619 1 1 1 4721 1 2399 1 1 1 1 1 1 1 1 1 1 8801 1 1 1 8890 1 1 1 1 1 1 1 1 1 1 14850 1 1 1 1 1 1 3672 1 244.974 *244.9741* 244.9741@3.3320591 1 1 1 1 1 1 1 1 2957 1 1 1 5151 6291 3440 1 1 1 1 1 1 5126 1 1 1 1 1 1 1 1 4786 1 1 1 1 4262 1 4112 1 1 1 1 1 1 1 3087 1 1 1 1 1 1 1 3296 1 3240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7092 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 1 1930 1 244.9741 *244.9741* 244.9741@3.5649962 1 1 1 1 1 1 1 1 5802 1 1 1 1039 5741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1 1 4347 1 2610 1 1601 1 1 1 1 1 1 1 4016 1 1 1 1 1 1 1 4846 1 4613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9043 1 1 1 1 1 1 1 1 1 1 4961 1 1 1 1 1 1 10197 1 244.9741 *244.9741* 244.9741@3.862871 1 1 1 1 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4715 1 3299 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 3974 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3765 1 1 1 1 1 1 1 1 1 1 7510 1 1 1 1 1 1 7308 1 244.9741 *244.9741* 244.9741@3.6680546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1 244.9741 *244.9742* 244.9742@2.9125404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5147 1 1 1 1 1 1 1 12842 1 1 1 1 1 1 1 5043 1 1 1 1 1 1 1 1 1 1 1 1 7921 1 1 1 7499 1 1 1 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 244.9742 *244.9743* C6 H3 N3 O6 S 1 6019 1706 1 1 1 1 1 1 1 1 1 1 1 5144 1 5885 5488 4491 1 7304 1 6366 3142 4686 1 3868 1 5256 6262 1 1 1 6926 1 6092 1 5317 10754 1 6100 2661 8705 3984 6290 1 1 3840 7131 4166 1 1 5488 5281 1 6162 8343 1 6134 5343 1 1 1 1 5735 1 5258 1 1 6491 1 5157 3109 6070 1480 1 5794 1 1 6680 1 1 4245 1 1 1 1 9892 1 4327 244.9743 *244.9743* 244.9743@2.606974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9493 5978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7539 8723 1 1 1 1 1 1 1 1 2885 8548 1 1 1 1 1 1 1 1 244.9743 *244.9743* 244.9743@3.9351742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 244.9743 *244.9744* 244.9744@4.1032233 1 1 1 1 1 2060 1 1 7148 1 1 1 1 4923 4272 1 1 1 5379 1 1 6407 1 1 1 1 1 1 8317 1 1 1 1 1645 1 4807 1 7262 1 1 1 1 1 1 1 2325 6360 1 5974 6909 3620 1 1 3783 1 2566 1 1 1 1 1 1 1 1 3144 1 5707 1 1 5186 11806 1 1 1 1 1 1 1 1 1 1 8103 1 1 1 1 1 1 14555 4830 244.9744 *244.9744* 244.9744@4.0339394 1 1 1 1 1 3428 1 1 1 1 1 1 1 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4476 1 3366 1 1 1 1 1 1 1 1 1 7590 1 1 6622 1 1 1 1 3779 1 1977 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 4232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5445 1 244.9744 *244.9745* 244.9745@2.9516475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.9745 *244.9747* 244.9747@5.2116833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4989 2436 1 1 1 1 1 1 1 1 1 1 1 1 1 2906 1 1 4622 1 1 1 1 1 1 1 1 1 7251 1 1 5388 5181 1 1 1 1 4822 1968 1 1 1 1 1 1 1 1 1 1 244.9747 *244.9747* 244.9747@3.752064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 1 244.9747 *244.9748* 244.9748@5.032213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 2672 1 6547 1 1 1 4934 5054 1 4053 1 1 5979 1 1 1 1 1994 1 1 1 2281 1 1 1715 1 1 1 1 1 1 1 1 1 2146 1 1717 3047 1623 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 244.9748 *244.9749* 244.9749@4.931138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.9749 *244.9988* 244.9988@0.7487254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9306 9813 1 1 244.9988 *245.0376* 245.0376@1.982324 1 1 1 1 1 1 1 1 12659 6802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0376 *245.0418* 245.0418@2.0070639 1 1 1 1 1 1 1 1 1 5988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0418 *245.0542* 245.0542@1.9728006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3055 1 1 1 1 1 1 1 1 1 1 1 245.0542 *245.0706* 245.0706@1.7012678 1 1 1 1 1 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0706 *245.0715* 245.0715@2.7870533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0715 *245.0729* 245.0729@2.2441895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62786 61913 1 1 1 1 1 1 1 1 1 1 1 4002 1 1 1 1 6480 1 1 10705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6704 1 1 1 1 1 1 245.0729 *245.0732* 245.0732@1.9670916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 2545 2352 2421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 2411 2650 2133 1 1 1 245.0732 *245.0744* 245.0744@1.9620084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 1 1 1 1 1 1 1 1 1 245.0744 *245.1788* 245.1788@1.1300834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2324 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1788 *245.2018* 245.2018@2.1660671 1 1 1 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.2018 *245.9141* 245.9141@0.76687044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5820 1 1 4453 1 1 1 1 1 1 1 1 245.9141 *245.9146* C8 H Cl3 N2 O 228998 234957 237168 238343 139932 143038 118499 119336 201919 201660 327189 325460 120234 119806 304523 297950 56546 55692 118431 117345 249839 249863 343445 348217 160129 159485 189697 186961 302517 291329 242353 250667 450112 453695 330934 331156 512629 523094 162841 164104 194339 194323 327777 332553 152106 153178 179442 178372 427861 420133 617982 613280 257027 257135 208579 208088 188669 193534 168958 173977 90557 89262 258642 259112 257447 260284 199376 196759 174481 177138 503039 505737 111916 113130 150093 152154 1018938 1024406 159526 172835 124533 119732 376245 379065 374289 372228 919117 928316 196223 199242 245.9146 *246.0109* 246.0109@0.707192 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0109 *246.0157* 246.0157@0.7221829 1 1 1 1 1 7255 7770 6518 14703 14757 1 1 5421 5791 1046 1 3065 2241 1 1 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15066 16329 1 1 1 1 9817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12682 1 1 1 1 1 1 15051 15614 5296 1 6706 1 46288 47431 1 1 1 1 1 1 1 1 1 1 246.0157 *246.021* 246.021@0.8822404 1 1 1 1 1 1 1 1 1 1 11665 12008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5225 2270 1 1 1 1 1 1 1 1 1 1 1 246.021 *246.0222* 246.0222@0.87907994 1 1 1 1 1 1 1 1 1 1 1 1 5633 1 1 1 1 1 8410 8074 1 1 1 1 1 1 1 1 17866 19052 1 1 1 1 1 3236 1 1 1 1 1 1 1 1 5966 1 9859 1 1 1 1 1 7707 6047 2783 1 1 6498 1 1 1 1 1 1 1 1 5009 8504 1 1 1 1 1 1 1 1 1 1 1 2979 13206 12440 1 1 1 1 1 1 1 1 246.0222 *246.0328* 246.0328@1.1257813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0328 *246.0334* 246.0334@0.89245147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6636 1 1 1 1 1 1 1 1 1 1 6256 1 1 1 1 1 1 1 1 1 1 1 1 1 3258 2820 1 1 1 1 1 1 1 1 1 1 2559 4952 1 1 1 1 1 1 246.0334 *246.0397* 246.0397@2.8819087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0397 *246.0412* 246.0412@0.88664395 1 1 1 1 1 1 1 2701 1 1 1 1 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0412 *246.0447* 246.0447@0.7705369 1 1 1 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3944 1 1 246.0447 *246.0497* 246.0497@0.8634984 1 1 2993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26942 1 1 1 1 3313 1 1 1 1 1 246.0497 *246.0508* 246.0508@2.6413126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5371 5763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7257 10757 1 1 1 1 1 1 1 1 1 1 246.0508 *246.0514* 246.0514@2.0552697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0514 *246.0557* C10 H14 O5 S 148578 147146 36585 36152 111428 109513 278016 276055 87436 71967 6780 9783 23341 22171 34625 35741 127292 125645 48452 48667 87704 68737 102056 115140 69302 69126 1 1 58751 58240 65435 66138 273697 251668 39739 41468 71555 58588 19758 19818 269263 264646 1 1 140522 138129 3686 6353 72186 74399 15903 18308 172066 175453 1 10594 159827 156016 125735 126161 190298 270916 8789 1 30063 28895 12274 13624 185784 187807 78017 77475 32224 42602 22980 21160 1 1 34968 1 72769 74476 77937 74370 233039 286997 20726 23957 37965 25533 246.0557 *246.0591* 246.0591@1.0819033 1 3310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 1908 1 1 3094 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0591 *246.0607* 246.0607@0.8118671 1 1 1 1 1 1 1 1 1 13441 1 1 1 1 1 1 1 1 1 1 1 17847 10359 1 1 1 1 1 1 1 7552 7181 1 1 1 1 1 15986 1 1 1 1 9618 1 1 1 1 1 1 1 1 1 1 1 14844 1 1 1 1 1 88649 1 8924 1 1 1 1 1 1 1 1 1 15250 6012 1 1 1 1 21426 1 1 1 1 1 48787 1 1 1 1 14441 246.0607 *246.0612* 246.0612@0.810719 1 1 1 1 1 1 1 1 1 1 7869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6135 1 1 1 1 1 20335 1 1 1 1 1 1 1 1 1 8769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5376 1 1 1 1 1 1 1 1 1 1 1 5035 1 1 1 20750 1 1 1 1 1 1 1 1 1 1 246.0612 *246.0662* 246.0662@0.81062853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5708 5637 1 1 1 1 1 1 1 1 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0662 *246.0695* 246.0695@1.9657525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2556 1 1 2557 2890 1 1 4454 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3795 3939 1 1 3131 1 3257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0695 *246.0736* C14 H14 O2 S 2577 3027 2526 3382 1 3252 5427 4992 1 1 2835 5511 1 1 1 1 1842 1 1 4106 1 1 1 1 1 1 1 2806 1 1 2488 1 4005 4584 2236 1 1 1892 2751 2975 3880 3410 1 1 2846 3314 1 1 1 1 7404 3487 1 1 1 3453 1 4776 3564 1 1 1 2447 1 6445 5195 4159 3092 1 1 3228 2829 1 3800 1 1 1 1 1 1 4200 11560 4643 3542 5056 6694 4529 5031 4938 6457 246.0736 *246.0746* 246.0746@0.8408896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4949 1 1 1 1 1 1 1 1 1 1 1 1 246.0746 *246.0824* 246.0824@1.8444439 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0824 *246.0825* 246.0825@6.466052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3885 4017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0825 *246.084* 5,6-Dihydrouridine 76831 74411 65204 68273 74263 70832 235688 232593 68416 68418 71071 72119 48730 47496 54732 52991 55318 55741 85293 85673 67741 68575 54307 55961 47528 47312 52528 51991 43682 46751 82066 84995 98921 101432 61365 59448 58696 60075 50492 50987 62625 60785 44540 43188 64474 65363 37256 37013 62242 58550 98057 95247 45697 50710 51569 49818 79511 80192 39043 39588 45038 44796 51081 52682 50394 50441 68298 67246 40379 41732 60976 63103 41840 41738 48072 49768 55006 53253 165115 167984 90264 89871 67378 68165 106242 105243 73365 72436 75414 75213 HMDB00497 246.084 *246.0858* 246.0858@1.1421852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 3755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0858 *246.0961* 246.0961@3.0412111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0961 *246.102* 246.102@0.7216875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1 1654 1438 1 1 246.102 *246.1359* 246.1359@5.4236016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4915 5111 1 1 9224 9400 1 1 1 1 1 1 1 1 1 1 1 1 3117 3300 1 1 5526 4584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.1359 *246.143* 246.143@1.6766787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3737 1 1 1 246.143 *246.1446* 246.1446@1.5445044 1 1 1 1 1 1 1 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7452 4957 1 1 1 1 1 1 5892 5869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4176 5587 7971 1 1 1 1 1 8993 8364 1 1 1 1 1 1 1 1 8319 8004 1 1 7112 7437 1 1 1 1 1 1 9549 13776 1 1 246.1446 *246.1453* 246.1453@1.4600635 1 1 1 1 1 1 10525 6780 1 1 1 1 1 1 1 1 11491 11159 2318 1 1 1 3883 5074 1 1 1 1 1 1 1 1 1 1 1 1 5829 6824 1 1 1 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3680 2758 1 1 1 1 1 1 5671 6960 1 1 1 1 1 1 1 1 8024 7765 1 1 1 1 9244 8254 1 1 1 1 10509 10330 1 1 246.1453 *246.1858* 246.1858@0.7742486 1 1 1 1 1 1 3125 4584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3163 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 2381 1 1 1 1 246.1858 *246.9032* 246.9032@0.9142893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.9032 *246.9532* 246.9532@0.66036755 1 1 1 1 1 1 1 1 1 1 1 1 5542 1 1 3957 1 1 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3304 1 1 1 4083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 3987 1 1 1 5138 1 1 1 1 1 1 246.9532 *246.9533* 246.9533@1.3230305 1 1 1 1 1 2870 4500 1 1 1 3585 1 1 1 1 1 5664 1 5766 1 1 1 5664 4507 1 1 1 1 2304 2169 3124 1 6651 1 1 1 1 1 1 1 1 1 1 1 5799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8540 1 1 1 1 246.9533 *246.9534* 246.9534@1.0668281 1 1 1 1 1 3805 1 1 1 1 1 1 2551 1 1 1 1 1 4752 5455 5025 1 1 2885 1 1 1 1 6155 4682 1 1 3510 10583 1 1 1 1 1 1 1 1 1 4531 4493 3945 1 1 1 1 4623 1 1 1 1 1 1 1 5503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3375 1 1 1 1 1 1 6498 1 1 246.9534 *246.9539* C14 H N S2 1 3168 1 1 5004 3794 1801 2567 6089 6651 3766 5034 3918 4549 5893 6441 9235 10970 4405 4476 3944 4070 6982 7003 1 1 4814 4472 4418 5818 3948 4839 3401 1970 1 1 1 1 4796 6209 4526 7458 5981 6783 3682 7040 4806 6124 6997 1 4789 5265 5448 1 1 2832 4125 4227 3661 5757 1 1 3800 6185 12089 10259 1 1 1 5632 1 4498 4706 1 6167 1 1 1 5373 4654 7648 3897 6165 1 3491 5081 7080 2185 1 2670 246.9539 *246.9541* C14 H N S2 - 1.9741485 10526 10711 10064 11541 11945 12448 10005 11177 7901 11033 11089 11689 11177 11371 11120 10107 11467 12009 12561 12408 12497 11845 12715 11616 10006 11776 12769 9939 10549 11720 12430 12056 10595 12549 11084 11979 9957 11941 12855 12743 12898 9687 12466 12073 13874 12700 12778 11238 10892 11454 10448 13735 11446 11214 11320 12275 11676 12677 12206 11571 12001 11969 11705 10928 12532 12311 11755 8596 9866 11745 11391 11865 10446 13475 8204 11933 11883 12494 11853 12139 9124 12434 13937 12162 10799 6775 10308 11738 9630 11558 246.9541 *246.9543* 246.9543@2.0138004 1 1 1 1 1 1 1 1 4464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 1 1 1 1 1 1 3921 1 1 1 1 1 1 1 1 1 1 4862 1 1 1 1 246.9543 *246.9546* 246.9546@4.2660346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.9546 *246.9548* 246.9548@2.9371204 1 3944 1 1 1 1 1 1 1 1 1 1 1 9617 1 1 1 8306 1 1 1 1 1 1 1 1 1 4543 1 1 3439 1 1 1 5700 7166 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6858 1 1 1 1 1 1 1 1 1 1 5288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.9548 *246.9558* C14 H N S2 - 1.6350769 1 4523 1 1 5218 1 4132 4615 1 1 3519 4973 6961 1 6226 5881 7557 1 6259 1 7302 6526 1 1 1 1 1 1 5641 1 8582 9673 5117 7113 1 1 6994 6626 8475 7891 5120 6326 5896 3584 1 6290 8312 3783 6953 5168 9314 10308 7039 8130 4927 1 6398 2439 1 7098 1 6699 1 1 6326 7031 6099 5697 1 1 6545 7168 5918 1 1 7027 1 1 4264 1 5043 4948 7993 5426 5574 8621 11268 11216 1 4655 246.9558 *247.013* 247.013@0.873599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.013 *247.016* 247.016@0.78615195 100334 99236 1 1 1 1 407269 405346 1 1 1 1 66903 63074 1 1 1 1 1 1 1 1 1 1 1 1 1 4188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138004 131237 1 1 1 1 1 1 1 1 1 1 80311 81755 1 1 1 1 1 1 81173 80618 1 1 1 1 1 1 1 1 1 1 19833 20238 1 1 1 1 1 1 270461 275638 1 1 247.016 *247.023* 247.023@0.7819241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24282 23517 1 1 1 1 1 1 1 1 247.023 *247.0393* 247.0393@1.1270764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4412 4307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0393 *247.0492* 247.0492@3.0853012 6544 6162 1 1 1 1 5477 15319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9607 9421 24471 22943 9350 9940 1 1 1 1 1 1 1 1 1 1 16104 15627 1 1 1 1 1 1 8770 7987 1 1 1 1 1 1 17256 16498 1 1 1 1 4641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29968 29631 247.0492 *247.0496* 247.0496@3.1078854 1 1 1 1 1 1 5086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0496 *247.0504* 247.0504@3.4733305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69190 67440 1 1 1 1 1 1 1 1 1 1 247.0504 *247.0751* 247.0751@1.966696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 247.0751 *247.0809* 247.0809@1.0785178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4760 5420 1 1 1 1 1 1 1 4195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5749 1 1 1 1 4752 1 1 1 1 1 1 247.0809 *247.0815* Gly Gly Asp 11643 12493 11547 11220 11996 11565 7257 6938 19286 17264 30097 28765 3011 1 6144 6075 8834 8663 13782 11653 25136 24141 45367 44145 3922 5392 26597 24175 24445 23882 2898 3363 70974 69541 12797 12848 70804 69419 8249 8515 48244 52141 23229 21742 17401 16775 11255 10247 9562 10706 34267 31286 24150 26910 29441 31055 19806 15811 8726 8701 11932 12412 8297 5572 6171 5913 10005 17391 29205 29534 25877 25193 14850 17152 2665 3926 7884 7639 68703 73401 33977 29902 62563 60479 37090 36819 5881 5539 21484 23979 247.0815 *247.9121* 247.9121@0.7871369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.9121 *247.9933* 247.9933@0.7225065 1 1 1 1 4502 1 1 1 1 1 1 1 1 1 1 1 1 1 7459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4468 4025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.9933 *247.9938* 247.9938@0.9665973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.9938 *247.9971* 247.9971@0.72543436 1 1 1 1 1 4731 5442 5160 1 1987 1 1 1 1 1 1 3182 3046 1 7649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7750 9094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.9971 *247.9978* C12 H8 O2 S2 6412 6369 7094 6681 12503 13205 26108 22309 5947 5419 14642 13900 4414 4679 4615 4587 6973 7723 14337 14789 1 1 4773 4703 3904 3687 1 2086 8669 8649 8872 9236 16961 15873 8512 9012 13159 12434 4598 5086 11561 14186 1 1 4711 5670 11311 24241 16452 17009 8827 8327 1 1 5381 5658 11805 10152 5902 6955 19115 19563 11576 12388 14484 12529 3961 13349 1 1368 12496 11684 6645 7507 8086 8205 1912 2649 14894 14157 10479 9735 6278 6549 11584 28074 3032 2901 11662 9440 247.9978 *247.9983* 247.9983@1.0007594 1 1 1 1 1 1 2153 3401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3311 3248 1 1 1 1 1 1 1 1 1 1 1 1 11685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8050 1 1 1 1 1 1 1 1 1 3430 3635 69452 78261 1 1 1 1 14912 1 2029 2004 1 1 247.9983 *248.0039* 248.0039@0.8505661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0039 *248.0092* 248.0092@0.85017973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 1 1 1 1 1 248.0092 *248.0218* 248.0218@0.8269429 1596 1 1 1 1 1 1 1 1 1 1 1 1 6537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0218 *248.0305* 248.0305@0.8121413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 2085 1 1 3610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18698 20046 1 1 1 1 1 1 1 1 1 1 248.0305 *248.0367* 248.0367@0.8082959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9936 1 1 1 4364 6886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0367 *248.0417* 248.0417@0.74406993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6666 8276 1 1 5808 6454 1 1 1 1 1 6057 1 1 248.0417 *248.0483* 248.0483@0.7739029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5044 1 1 1 1 1 1 248.0483 *248.0685* 248.0685@3.5163643 1 1 1 1 1 1 5183 3905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0685 *248.0818* 248.0818@1.9688562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3301 1 1 1 1 2952 1 1 1 1 248.0818 *248.0946* 248.0946@0.7192037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 2161 1 1 1 1 1 1 1 1 1 1 1 1 248.0946 *248.0978* 248.0978@1.9687786 1 3443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 1 1 1 1 1 1 248.0978 *248.1738* 248.1738@1.1190232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1738 *248.1747* 248.1747@1.0781982 7915 7667 3403 3523 1 1 4162 2418 3582 2352 6549 6441 4895 3398 4583 5190 1 4225 2919 3671 3274 3169 3578 3260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15017 1 1 5687 5161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1747 *249.0048* 249.0048@1.6401188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3323 3511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6304 6872 1 1 249.0048 *249.017* 249.017@0.7787373 5638 5022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4907 4627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.017 *249.0291* 249.0291@0.9487198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 249.0291 *249.0298* 249.0298@0.98056215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5175 3311 1 1 47197 47704 1 1 249.0298 *249.031* 249.031@2.1892564 1 1 1 1 1 1 7119 4245 1 1 7020 6263 1 1 1 1 1 1 3628 1 1 1 1 1 1 1 1 1 1 1 6476 6298 1 1 1 1 1 1 5218 1 1 1 1 1 1 1 15273 14060 1 1 1 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7102 5907 1 1 1 1 8505 8670 1 1 1 1 249.031 *249.0311* 249.0311@2.233 1 1 1 1 1 1 1 2971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0311 *249.0395* Pyridoxine phosphate 2832 2856 1 2190 1 1 1 1 1 1 3023 3016 1 1 4057 2750 1 1 3358 3263 2336 2275 1 2300 2760 2547 1 3565 2755 1 1 2752 3239 1 2631 2852 2502 2750 1 1 2743 1 1 4302 3195 2639 1 1 2918 2666 2600 1 1 2882 2687 1 2983 3197 4636 4721 4675 6163 2585 1 1 3197 3252 3396 2804 1 5456 5066 1 1 1 1 2633 2716 3596 3728 4112 4105 5428 5712 4498 3711 3848 4322 3747 3959 C00627 249.0395 *249.0572* 249.0572@0.7492105 1 3494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0572 *249.0603* C19 H7 N 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3245 1 1 1 1 1 1 1 3703 3623 1 1 1 1 3507 3558 1 1 1 3726 2856 2554 3393 1 1 5193 3484 3582 4831 3981 1 6506 4711 4299 4557 4372 4316 4448 3099 4069 4528 4737 5771 5500 3754 3834 4269 3560 5462 5345 4485 4605 6945 6621 3442 3649 1 3255 3180 3271 4484 4083 5367 4389 1 5439 5775 5826 4921 4711 5012 4605 249.0603 *249.062* 249.062@2.927628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 9111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.062 *249.0634* 249.0634@2.8519247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4549 4601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0634 *249.064* 249.064@0.73562205 3006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.064 *249.9063* 249.9063@0.95795053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 3166 1 1 1 1 249.9063 *249.9088* 249.9088@0.75546575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9088 *249.9662* 249.9662@6.0636697 1 1 1 1 1 1 1 3604 1 1 1 1 1 1 1 1 1 1 1 3792 1 1 1 1 1 1 2852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9662 *249.9663* 249.9663@5.7099085 1 1 1 1 1 1 7013 2709 5222 1 1 1 1 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 4437 1 6695 1 1 1 1 4689 1 1 1 1 1 3692 1 1 1 6797 2857 1 1 1 1 1 1 1 1 1 1 5563 1 1 1 1 1 1 1 5062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9663 *249.9667* 249.9667@6.56979 1 1 15288 1 1 4001 11013 4816 8149 7270 1 1 1 4382 3880 1 1 4387 1 5864 5567 2605 5338 1 1 5697 1 5387 1 4642 3107 1 3801 2961 4628 1 3137 4574 1 1 2352 1 1 2257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9667 *249.9668* 249.9668@6.7157984 1 1 1 1 1 1 1 1 5315 1 1 1 1 5283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9668 *249.9669* 249.9669@4.287211 16524 1 1 1 1 14545 1 4375 1 1 1 8371 1 4741 1 1 1 1 1 8007 3973 2117 5463 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9669 *249.9669* 249.9669@7.3699017 1 1 1 1 1 7656 1 4742 11764 1 1 1 5186 8030 1 1 1 1 6493 1 1 6028 1 6291 1 4249 1 4823 2108 4005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9669 *249.967* 249.967@5.383994 1 1 1 1 1 2820 12782 7634 1 1 1 1 1 3750 6647 6697 1 1 1 5306 1 1 3747 1 1 1 1 2794 1 1 1 1 1 1 1 1 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.967 *249.967* C13 H2 N2 S2 12960 1 12816 11798 11418 12048 1 12235 13190 1 10853 8931 10002 10526 6652 1 6376 8316 8035 6887 1 5980 5707 1 7392 5550 3754 5725 6516 4989 5861 3896 1 4941 7615 6156 1 5716 3737 1 4798 5380 5337 6787 1 4151 1 1 5089 1 5514 1 1 1 4184 1 1 1 1 1 1 1 4044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5163 5365 1 1 249.967 *249.9671* 249.9671@5.6598125 1 1 1 1 1 5136 120433 7525 1 3251 1 1 4729 5809 1 1 1 3420 9327 1 1 1 1 2374 1 5539 1 1 1 1 1 1 1 1 5639 1 1 1 1 1 1 1 1 5156 1 1 1 1 1 1 1 1 1 1 6142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5147 1 249.9671 *249.9671* 249.9671@5.9362655 1 1 1 1 1 13376 1 10129 11954 1 1 1 8128 4129 6897 1 1 1 4088 1 1 2235 1 1 1 3817 6602 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9671 *249.9671* 249.9671@6.1368666 1 1 1 1 23572 13426 1 10844 1 1 1 1 4452 1 1 8733 1 1 1 2131 1 5879 1 1 1 6343 1 5053 1 15163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9671 *249.9671* 249.9671@6.224759 1 1 1 1 1 10744 1 5087 1 1 1 1 1 13960 9062 1 1 1 1 1 1 1 1 1 2544 3802 1 1 1 1 1 11128 1 1 1 1 1 4821 7003 1 1 2893 1 1 6933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9671 *249.9672* 249.9672@4.656075 1 1 1 1 1 1 1 2897 1 1 1 1 2493 1 1 1 4441 2953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9672 *249.9672* 249.9672@5.194965 10942 10300 1 1 1 10139 9429 5713 3137 8047 1 1 1 5982 1 1 1 1 1 1 1 1 1 1 2897 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9672 *249.9672* C9 H2 N2 O5 S - 6.3752584 12721 15410 13975 14093 11608 11814 10280 9727 11825 8342 9120 8535 7511 6629 10375 6638 7884 8346 5805 6996 7340 6783 6693 5905 7024 5880 5862 5591 5820 1 4235 4188 4909 3984 4524 3991 4110 1 3541 3711 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9672 *249.9672* 249.9672@6.655053 1 1 1 1 1 10375 1 12933 8604 1 1 1 14171 10815 8597 1 1 1 1 18736 1 8443 1 1 1 12158 1 1 1 1 1 1 2550 6779 7477 6349 6334 1 1 1 4342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9672 *249.9672* 249.9672@7.456705 1 1 1 1 1 3649 1 1 10909 1 1 1 1 1 1 1 1 1 5822 1 1 1 1 1 1 4214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9672 *249.9673* 249.9673@4.896966 8539 1 8564 1 1 1 1 5752 6996 1 5033 1 1 1 3009 1 4391 4584 1 1 1 1 5394 3473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9673 *249.9674* C9 H2 N2 O5 S 110485 112407 106391 110478 120634 113564 9608 120905 119880 122593 101850 103309 111595 111925 123056 121428 117042 120613 141972 140542 120055 118081 116527 117625 139154 135869 117469 115520 115925 116883 111234 111127 116854 119468 117784 117377 116633 118122 115665 117592 123764 125430 109448 106441 119847 117589 119109 116209 123321 120412 127163 127127 129986 128122 118901 115139 120509 120141 118509 117924 112353 109302 119424 121996 122721 125787 131907 133896 129161 128729 145459 145603 113101 113474 117585 121553 117541 116921 119792 120676 126056 129984 122622 124087 127715 126171 140768 138510 115987 116229 249.9674 *249.9675* 249.9675@4.416169 1 1 1 1 1 1 1 4361 1 1 1 1 1 1 1 1 7788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9675 *249.9676* 249.9676@4.2345076 1 1 1 1 1 1 1 4403 1 1 1 1 1 5140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9676 *249.991* 249.991@0.7071526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.991 *250.0005* 250.0005@0.98983014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 3040 1 1 1 1 1 1 250.0005 *250.0126* 250.0126@0.85163337 1 1 1 1 1 1 1 3389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5536 5364 1 1 1 1 1 1 1 1 12495 11667 1 1 1 1 4053 4063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 3001 1 1 1 1 8282 8140 1 1 1 1 250.0126 *250.0136* 250.0136@0.7888902 1 1 1 1 2429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4516 4649 1 1 250.0136 *250.0139* 250.0139@2.7190757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0139 *250.0157* 250.0157@2.5801768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7423 5379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0157 *250.0159* 250.0159@2.732809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 3555 5657 5434 1 1 1 1 1 1 1672 3696 1 1 1 1 1 1 1 1 1 6312 1 1 1 1 4492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9974 11054 1 1 1 1 7537 7631 1 1 1 1 250.0159 *250.0165* 250.0165@0.8090099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0165 *250.0232* 250.0232@0.7387545 1 1 2925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0232 *250.0437* 250.0437@5.7532187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0437 *250.0453* 250.0453@5.810247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 9392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0453 *250.0489* 250.0489@2.9632916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2527 1 1 1 1 2096 1 1 1 1 1 1 1 5549 5951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4782 4533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5795 5988 1 1 1 1 1 1 250.0489 *250.0578* 250.0578@0.73128206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3349 1 1 1 1 1 1 1 250.0578 *250.0631* 250.0631@0.7358165 13457 13683 1 1 1 1 1 1 1 1 8545 9337 1 1 1 1 1 1 1 1 6162 4892 1 1 1 1 1 1 1 1 1 1 1 1 10909 10766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12705 12464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7641 7452 250.0631 *250.0736* 250.0736@2.5565996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 250.0736 *250.0823* 250.0823@2.5400243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7613 7418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3672 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0823 *250.1217* 250.1217@1.1519816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4158 2865 1 1 1 1 3514 3084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3427 2697 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 6917 1 3455 4381 3449 1 250.1217 *250.1311* 250.1311@1.1363571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6137 1 1 1 1 250.1311 *250.1478* 250.1478@1.1465327 1 1 1 1 1 1 3884 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3639 4654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1478 *250.1558* 250.1558@3.0869594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1558 *250.156* 250.156@2.9960535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20024 35780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.156 *250.1562* Gemfibrozil M2 516607 516897 20509 20070 14143 14589 27842 28252 15059 16448 23884 23946 38018 38625 107776 104905 7988 9187 48264 48937 9192 9959 40548 45204 89905 89567 179338 180564 152037 158859 2934 3125 1 1 6394 8250 81903 87219 13924 14539 222701 223859 4043 1 4019 3447 28866 29527 3562 3245 193668 192954 1 1 33789 35663 5768 4987 10760 8233 9210 7352 3720 3858 36826 36821 4362 5008 1 1 4749 4865 3267 2895 4705 5048 4254 1 1 3386 55977 59346 7477 11858 2878 1 1663 2150 2120 2673 250.1562 *250.1562* 250.1562@1.1610316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 4410 2783 2939 1 7624 1 1 1 1 1 1 1 7274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4574 1 1 4589 1 1 1 1 1 2909 3132 1 1 250.1562 *250.1781* 250.1781@1.1128628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 10730 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1781 *250.1859* 250.1859@1.0755711 2983 3218 1528 1 1 1 1 1 1 1 1 2145 1 2101 1 1721 1 1 1 1 1 1 1 1 2795 1 2270 1 1 1 2078 1820 1 1 1 2150 2431 2988 1 3028 1 1 1 3213 2626 2265 2005 1 1 1 1 1 5812 1 2817 2494 1 1 1 1 1270 6695 1 1 1955 46222 1 1 1 1 1766 1 2535 1 1 1 1 1 1 3230 3989 3960 26118 1 1 4526 1 1 5675 1 250.1859 *250.1878* 250.1878@1.1100125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3162 1 1 1 1 5031 9470 1 1 1 1 1 1 2241 2126 1 39000 1 1 250.1878 *250.19* 250.19@1.0504949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 4596 3328 1 3394 3337 1 1 1 1 2320 1 3314 1 17418 1 1 1 1 1 3128 1 1 1 3219 1 1 1 1 1 1 1 3462 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3272 1 1 22681 22934 3158 39036 39170 20542 1 1 1 1 1 3189 1 5397 1 1 1 250.19 *250.2879* 250.2879@1.0980078 9785 8902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2706 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.2879 *250.2925* 250.2925@1.1013155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.2925 *251.0337* 251.0337@1.9756073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 1 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 1 1 1980 2186 1 1 251.0337 *251.0433* 251.0433@1.9685261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4005 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2773 3231 251.0433 *251.0854* 251.0854@1.1251036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 2073 1 1 1 1 1 1 2297 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2690 2567 1 1 1 1 251.0854 *251.1025* 251.1025@1.9570409 1 1 1 1 1 1 3742 4375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1025 *251.151* C14 H21 N O3 1 1 22731 22190 18993 19660 26536 26136 19401 18997 26686 27694 28536 22021 19502 27493 27455 28074 16929 17024 16286 16109 17417 17758 24492 22659 24053 23384 17778 17592 18134 17001 14728 14154 22561 22090 15699 17368 13497 14250 28653 24047 21947 23943 27417 27164 22028 22957 23815 24419 27745 28011 21021 21105 22424 23900 27991 29010 23657 22093 18498 18109 24949 24948 24868 24942 24137 24383 23059 23734 24434 24752 17612 18316 23835 21645 18762 18118 20745 23933 36789 36422 33684 30571 17699 19266 15588 16053 24102 24224 251.151 *251.1554* 251.1554@1.1175456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 1 1 3378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1554 *251.8956* 251.8956@0.9584509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3622 3636 1 1 1 1 251.8956 *251.9056* C5 H Cl N2 O4 S2 2823 3047 2934 3279 1 1 1 1 2658 1 4094 4389 1 1 3830 3432 1 1 1 1 2710 3256 4458 4580 1 1 2445 2457 3531 3855 2789 2996 5904 6040 4331 4163 6597 6778 1 1 1 2450 3876 3827 1 1 1 2600 5601 5400 7562 8627 3217 3351 1 1 2532 2665 1 1 1 1 3077 3051 2852 3503 1 1 1 1 6218 6734 1 1 1 1 13147 12692 1 2392 1 1 4722 4930 4542 4734 12291 12313 1 1 251.9056 *252.0245* 252.0245@1.972741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0245 *252.0289* 252.0289@1.9715748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 2721 1 4055 3680 1 1 2603 1 1 1 3029 3676 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 4298 1 2944 2634 4057 4089 1 1 1 1 1 1 252.0289 *252.031* 252.031@1.97283 1 4457 1 1 1 1 4042 4073 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3273 4811 1 1 1 1 3427 3479 1 1 1 2212 1 1 1 1 1 1 3424 3907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1883 2215 3913 4136 4065 4205 252.031 *252.0391* 252.0391@1.9758062 3940 1 1 1 1 1 1 1 1 1 3362 3986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0391 *252.0416* 252.0416@0.7147148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4079 3974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 3559 1 1 1 1 1 1 1 1 1 1 252.0416 *252.0431* 252.0431@1.9635172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5461 6352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0431 *252.0526* 252.0526@2.7100606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14722 13272 1 1 1 1 252.0526 *252.0526* 252.0526@2.809619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4881 5469 1 1 1 1 252.0526 *252.0651* 252.0651@1.6148958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2423 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0651 *252.093* 252.093@1.9684247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2883 2873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 252.093 *252.0991* 252.0991@1.9640553 2464 2193 2767 3179 1 1 19533 19420 1 1 1 1 1 1 1 1 1 1 2556 2361 1 1 1 1 1 1 1 1 1 1 1 1 2713 4129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3163 3002 1 1 1 1 3350 3863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 5253 1 1 2172 2385 1 2426 1 1 1 1 252.0991 *252.1075* 252.1075@6.3122516 1 1 1 1 1 1 1 1 1 3374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 3414 1 1 1 1 1 1 1 1 2932 3011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2857 1 252.1075 *252.1151* 252.1151@4.219467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52612 53502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1151 *252.1201* 252.1201@5.840532 1 1 1 1 1 1 1 1 1 1 1 1 4294 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1201 *252.1336* 252.1336@1.2620231 1 1 1 1 1 1 1 4519 1 1 1 1 1 1 1 1 1 1 4276 5431 1 1 5293 6186 1 1 1 1 1 1 1 1 1 1 1 1 4176 3650 1 1 1 1 1 1 4635 1 1 1 1 1 1 4371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9486 3124 1 1 1 1 252.1336 *252.1354* Ibuprofen 10820 10626 4685 5068 7259 8316 25282 22860 5951 5928 12860 13609 7503 7282 10189 10584 13962 13733 14519 14640 12668 11616 15150 15505 10888 10304 8193 8497 9781 8840 11081 11727 12354 13172 11204 10787 19592 19265 14198 14228 7647 8371 5113 4975 16801 17613 10145 10835 9076 8496 23545 22847 10882 11314 7007 6777 10495 9663 13536 12932 10966 11335 5271 5536 111726 104326 4090 9133 8569 8438 12306 11971 4005 3456 7185 7018 6296 6454 11967 12264 10559 10315 9819 10330 18745 31240 14982 14975 8832 8273 HMDB01925 C01588 252.1354 *252.1384* 252.1384@0.8253412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19864 20356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1384 *252.1574* 252.1574@1.0278194 7575 7410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1574 *252.1886* 252.1886@1.055446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1886 *252.1957* 252.1957@1.0517908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 252.1957 *252.2054* 252.2054@1.1121901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3020 1 10415 9627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.2054 *252.2062* 252.2062@1.0488598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18038 75019 1 1 1 1 1 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11019 110315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3679 3453 1 1 252.2062 *253.0007* 253.0007@0.8468805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4347 4360 1 1 253.0007 *253.0101* 253.0101@3.5723858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3800 1 1 1 1 1 1 1 1 1 253.0101 *253.0118* 253.0118@1.9716258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 3128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 2150 2717 2612 1 1 1742 2019 1 1 1900 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 3062 1 1 1 1 1 1 253.0118 *253.0598* 253.0598@2.8106189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9301 8751 1 1 1 1 253.0598 *253.0603* 253.0603@2.7125628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24819 23722 1 1 1 1 253.0603 *253.0941* 253.0941@3.9270234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5745 6193 1 1 1 1 1 1 1 1 1 1 253.0941 *253.9535* 253.9535@0.7615672 1 1 1 1 1 1 3508 2331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8809 9222 1 1 1 1 1 1 1 1 2463 1 1 1 3656 3514 1 1 1 1 1 1 1 1 4531 4026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 1 1 1 1 1 1 1 1 253.9535 *254.0065* 254.0065@1.9708658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0065 *254.0073* 254.0073@1.9715135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 3182 1 1 1 1 1 1 1 1 5022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3583 3082 4086 4590 1 1 2264 2526 1 1 2915 3837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 4567 4140 1 1 1 1 1 1 254.0073 *254.0147* 254.0147@1.974966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2872 3752 1 1 1 1 254.0147 *254.0687* 254.0687@3.6637237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17909 17583 1 1 1 1 254.0687 *254.0695* 254.0695@2.8551192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2185 1 1 1 1 1 254.0695 *254.0697* 254.0697@2.8080862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11307 1 1 1 1 1 254.0697 *254.0704* 254.0704@2.7175646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35707 45268 1 1 1 1 254.0704 *254.0889* p-Hydroxyfelbamate 4217 4358 8128 7703 5330 4524 7910 7266 1 1 69326 70193 2917 2780 6526 5197 17676 17722 2914 3390 3583 3437 15699 14668 3977 4699 6324 6602 4547 4739 3856 4164 4979 4957 4210 3790 11898 11922 14417 14451 3250 3441 5421 5167 8984 9589 1 1 12571 13103 13745 13575 8752 8759 1 1 7667 7722 11200 10534 1 1 4884 4598 1 1 8228 8229 5203 4894 20858 21546 6915 6663 1 1 10410 9531 3016 3434 4359 4475 14546 15592 10400 10285 6833 6563 5600 5878 254.0889 *254.099* Galactosylglycerol 1 1 4469 4374 1 1 8042 7672 1 1 1 1 1 1 1 1 1 1 1 1 11173 10734 6119 6720 1 1 7024 5899 1 1 1 1 16385 17326 25487 25557 7900 7184 15946 16696 6626 6438 1 1 1 1 1 1 10397 11225 1 1 1 1 15428 15799 6299 7815 5219 5127 1 1 1 1 1 1 1 1 1 1 10212 10784 1 1 1 1 1 1 4813 4572 9920 9130 11796 11385 1 1 1 1 40048 40756 C05401 254.099 *254.1211* 254.1211@1.2536254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15447 17057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1211 *254.1399* 254.1399@1.9745035 1 1 1 1 1 1 1 28476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5561 1 1 1 1 1 1 1 1 254.1399 *254.1422* 254.1422@1.215364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1422 *254.1483* 254.1483@1.1762232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11394 1 1 1 1 1 1 1 2450 1 1 1 5248 5149 1 1 1 1 7830 1 1 1 5520 1 1 1 5590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24166 1 1 1 1 1 1 1 1 1 28025 1 5213 1 1 1 1 1 1 17603 1 1 1 1 1 1 1 1 1 1 254.1483 *254.1501* C13 H22 N2 O S 50483 1 1 1 1 1 1 1 1 1 1 24624 1 19967 3331 4045 1 1 1 1 1 27012 4470 1 4015 4069 3600 3718 3919 5548 1 1 1 1 1 3262 5033 5272 1 1 5965 5988 1 1 1 1 1 3945 1 1 4164 4041 1 1 4800 5650 1 1 11262 23482 3477 1 11523 1 1 2934 1 3052 1 1 3456 1 3092 3010 3635 1 1 1 1 1 8365 31843 5320 4907 1 1 1 1 42494 1 254.1501 *254.1506* C9 H23 Cl N4 O2 41158 79075 12560 24998 19225 25542 57875 33370 31774 30359 41691 16449 46948 19357 64449 27096 28324 28607 87278 83611 19575 21780 81450 79093 102286 103633 107408 102406 143289 139581 57163 58011 55036 44282 36229 36712 97189 96562 75790 74044 131564 133025 30823 29092 55240 61696 58955 61412 23116 20852 153982 153373 34442 33502 72801 73055 54510 55704 39919 41938 35572 26532 3487 52229 20640 30223 32041 31868 35786 36573 33969 59829 17970 23519 51372 51831 36842 37814 44379 27071 121657 87815 26549 28411 51181 25593 78246 80080 3356 44516 254.1506 *254.2214* 254.2214@1.9767084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.2214 *254.2233* 7-palmitoleic acid 24160 25669 35245 35709 31801 32319 18009 18916 12193 12048 21414 25754 43792 45005 23439 52290 20978 21102 16788 16504 45882 46905 24295 23870 22355 22765 17229 16387 20991 19716 125033 126134 30788 30183 16949 16769 31362 33185 112261 109407 13164 14425 51605 52772 28475 29272 38759 36289 11596 12488 71114 67802 32035 32564 15469 16026 23888 23609 42425 41680 4642 4366 6942 7142 19809 19571 15919 15697 15172 15560 46739 47933 19226 19882 27405 27337 20341 20422 35209 33023 28907 27133 14440 13957 29797 30377 111583 107538 8496 9609 254.2233 *254.2827* 254.2827@1.1253723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.2827 *254.9493* 254.9493@0.8379283 1 1 1 1 1 1 5473 5398 6128 5989 1 1 3602 3701 1 1 1 1 3534 3321 1 1 2833 2954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4200 4228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4491 4141 1 1 1 1 1 1 3508 3572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.9493 *255.0192* 255.0192@2.057024 7025 7835 1 1 1 1 1 1 1 1 6440 6246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10563 9579 255.0192 *255.0222* 255.0222@0.69953364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0222 *255.0404* 255.0404@0.712506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5612 5409 1 1 5470 4957 1 1 11396 11283 11129 9867 1 1 1 1 1 1 1 1 1 1 6959 7200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4391 5201 1 1 1 1 1 1 3761 3622 255.0404 *255.0565* 255.0565@2.5052557 4695 2981 1 1 1 1 1 5142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0565 *255.0586* 255.0586@5.6185155 1 1 1 1 1 1 1 1 1 1 2322 1 1 1 1 1 1 1 1 2609 1 1 1 1 1 1 1 1 1 1 2427 1 2087 2713 2507 2750 2019 1 1 1 1 1 1 1 2010 1 1 2366 1 1 1 1 2651 2693 1 1 1 1 2525 1 1 2737 2921 3019 2622 1 1 2939 1 1 4053 3655 1 1 1 2845 1 3027 2804 3144 2662 1 3066 3621 3225 3372 3733 3644 1 3093 255.0586 *255.0619* 255.0619@2.5030262 1 1 1 1 1 1 5481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0619 *255.0681* 255.0681@2.5034025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 2492 1 255.0681 *255.0751* 255.0751@0.70959806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0751 *255.078* 255.078@2.513793 1 1 2126 1838 1 1 2747 3685 1 1 1 1 1 1 4611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 1 3258 1 1 2595 1 1 1 2280 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4033 1 1 1 1 1 1 1 3032 2874 1 1 1 1 5698 1 1 1 1 6056 255.078 *255.0811* 255.0811@2.5229821 1 1 3746 3754 4460 1 1 1 7573 2991 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 4742 1 1 1 1 1 1 3561 1 3214 3567 1 1 1 1 1 5367 1 1 1 1 1 1 1 3686 1 4026 1 1 3286 1 1 5626 1 1 1 1 1 1 1 1 1 1 1 1 1 5072 1 1 1 1 2187 2016 1 1 1 1 1 1 1 5973 1 7697 4027 1 255.0811 *255.0849* 255.0849@2.5294816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8416 1 12267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.0849 *255.086* C13 H18 Cl N S 1 1 1 1 7494 13738 1 1 1 4567 11741 16421 5582 4830 1 1 10051 9633 18890 19578 18726 11484 14432 6878 4882 1 14164 13870 1 1 4142 3047 1 1 1 1 3403 5238 22194 22810 1 1 5825 6034 7519 15555 8076 8457 2647 1 9898 6340 3704 4266 5394 8055 20133 8866 5661 6116 1 1 1 1 27541 19124 11497 11987 16376 15405 6596 5695 8499 8367 23415 16425 6232 4965 5322 6011 5338 13441 27318 41704 2360 1 22224 13555 1 1 255.086 *255.0866* 255.0866@0.70983344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4280 4674 1 1 1 1 1 1 1 1 255.0866 *255.1089* 255.1089@0.9213202 3061 3370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 3072 1 1 1 1 1 1 1 1 3949 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1089 *255.1519* 255.1519@1.1340318 1 1 4182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1519 *255.1534* 255.1534@1.1590987 2055 1931 1 1 1 1 1 1 1 1 1 1 1 6125 1 8567 1 1 1 1 6264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1 1 1 1 1 255.1534 *255.9889* C7 H12 O4 S3 21005 20710 23618 23246 44181 45688 43831 44339 35103 26422 127477 127881 1 1 1 1 31855 32019 30239 34247 41692 44223 10795 10060 20434 24683 3650 1 1 1 43378 48002 28681 29643 22065 23433 21432 25101 37040 37169 1 1 21525 21677 20189 18436 20965 20357 1 20661 31930 31634 17068 14108 32512 33201 143029 146591 21845 22197 25572 24964 158502 157677 15458 15472 1 1 24006 25081 36894 37812 1 16295 56495 60935 28225 25495 12969 13315 14086 12018 28387 27550 56973 38021 32738 32364 36831 38274 255.9889 *255.9956* 255.9956@0.7659812 1 1 1 1 1 1 1 1 1 5588 1 1 12855 11768 1 6897 1 1 4673 1 1 1 1 3300 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3064 1 1 1 1 1 1 1 1 1 1 2215 1 1 1 1 1 1 1 1 1 1 1 1 23036 24016 1 1 1 1 14155 1 1 1 1 6672 1 1 2121 1 1 1 1 23884 1 1 2848 1 255.9956 *256.0022* 256.0022@0.78413886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5030 1 2387 1 1 1 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0022 *256.0132* 256.0132@0.8298352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12498 18023 1 1 1 1 1 1 1 1 1 1 256.0132 *256.022* 256.022@0.7157491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29590 27807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21843 1 1 1 1 1 1 1 1 1 256.022 *256.0303* 256.0303@0.7113793 1 1 1 1 1 1 1 2145 1 1 1 1 10353 1 1 8562 4212 4836 30379 28355 1 1 1 1 1 1 57177 54327 1 1 1 1 3195 1 1 1 1 1 1 1 35671 38370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19290 1 1 1 1 1 1 11518 4143 256.0303 *256.0355* 256.0355@0.71535087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51485 46342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0355 *256.0428* C8 H16 O5 S2 15618 15455 10352 10579 10583 10402 24609 23673 9483 9427 12511 12515 5872 5950 8648 9829 5397 5507 16829 15698 5731 5856 6042 6319 5628 6254 8637 8725 6526 6574 7670 8641 10404 9963 8492 7979 7027 7123 9818 9466 10941 11087 4310 3873 5398 5585 7295 6828 8458 8802 9231 8438 5314 5148 6932 6972 10675 11362 5660 5104 5603 5476 4614 4551 6256 6577 7548 7437 4668 4010 10362 10104 5356 5327 4303 3843 6157 6139 11284 12094 5816 9558 1 1 13975 15694 8608 8051 10991 10697 256.0428 *256.044* 256.044@2.2861137 1 1 1 1 1 1 4575 5016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4984 4593 1 1 3010 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3322 1 1 1 256.044 *256.0475* 256.0475@2.522331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4451 1 7663 8218 1 1 1 1 1 1 256.0475 *256.0755* 256.0755@1.0710254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 1 1 1 1 256.0755 *256.084* 256.084@2.8081493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17784 1 1 1 1 256.084 *256.094* C13 H20 O S2 266153 268270 59632 60840 30423 28208 78187 73220 25046 25568 347132 346863 198486 199810 60661 60902 40994 41443 1265533 1264724 358019 369132 902624 902961 28882 26853 20912 21754 705705 707857 145665 149761 233337 233009 22501 12591 29040 29489 12266 25645 67531 53273 50078 51087 648519 646379 314919 307593 130941 135429 69826 79471 38129 37512 97872 98376 388945 391787 97532 96867 38028 34974 44876 46263 18819 15566 54652 67834 10089 9615 179445 180690 79090 79808 81782 81134 30021 33357 345346 355257 198033 192906 113488 115970 126726 125934 43709 22801 103732 103779 256.094 *256.0946* 256.0946@1.9687784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25449 1 1 1 1 1 1 1 1 1 1 1 256.0946 *256.0951* 256.0951@1.6222032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9343 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 9385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3544 1 1 1 1 1 1 1 1 1 1 6614 1 1 256.0951 *256.0957* 256.0957@1.9167511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 256.0957 *256.098* 256.098@1.9723734 11239 13456 1 1 1 1 4651 3998 1 1 14567 15184 1 1 1 1 1 1 3958 41261 3399 10478 14584 11194 1 1 1 1 9195 6835 1 1 10832 10104 1 1 1 1 1 1 1 1 1 1 16772 15176 7059 1 1 2965 1 1 1 1 1 1 10067 10194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 30812 1 1 1 1 5096 5272 1 1 1 1 256.098 *256.111* 256.111@2.0333188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4165 1 2601 8629 1 1 1 1 1 1 1 256.111 *256.1187* 256.1187@2.1341004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8232 2950 8023 8850 1 1 1 1 1 1 256.1187 *256.1277* 256.1277@1.1780325 1 1 8859 10462 1 3617 1 1 6386 1 7996 5256 3859 1 1 1 1 1 6554 8795 1 1 10961 15706 1 1 6901 6477 1 1 1 1 7686 1 1 2349 1 1 1 1 1 1 3758 4263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6881 6394 1 1 1 1 1 1 1 1 1 1 1 9040 5320 6329 1 1 6676 1 1 1 1 1 1 1 1 1 1 1 1 8116 256.1277 *256.1312* C13 H20 O5 10251 11851 11695 16546 10416 12260 8037 5868 33235 33193 11442 15989 9104 9377 10671 16103 13659 14610 7873 7947 34483 36478 21092 21976 14397 16744 11864 16741 46264 35850 14351 14477 39211 38385 11028 11564 24591 23916 13043 14194 17960 18361 14247 14871 29384 33348 5647 7045 24951 7421 39486 38162 14286 14907 16745 16009 22220 22112 19337 23517 25690 24796 25975 26054 1 5309 22815 21802 18495 19301 15805 14296 16470 19625 20730 17808 7019 4042 26903 28030 21101 20466 12020 12027 21074 20395 9337 9111 19202 18968 256.1312 *256.1315* 256.1315@2.4478698 1 1 4698 1 1 1 1 1 1 1 1 1 1 1 3547 1 1 1 1 1 1 1 1 1 3362 1 4903 1 1 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 17181 1 1 1 1 1 1 1 1 5217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5571 6963 1 1 1 1 1 1 1 1 1 1 1 1 256.1315 *256.132* 256.132@2.353145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 1 1 1 1 1 1 1 1 1 1 1 1 256.132 *256.1327* 256.1327@1.182984 1 5973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3665 1 1 1 1 1 1 1 1 1 1 1 9205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9382 1 1 1 1 1 1 1 1 256.1327 *256.1365* C11 H20 N4 O S 1 1 1 1 1 1 1 1 1 3325 1 1 1 4307 3910 1 1 1 1 1 3419 2203 1 1 3749 4526 1 1 9838 1 1 1 1 7394 4636 1 3785 4769 2705 3650 7569 6754 1 1 4902 1 7582 1 3893 3703 6017 4211 3358 3374 4375 1865 1 1 1 1 2175 1 1 1 1 1 4569 4573 3318 2604 13467 1 1 1 7092 6115 1 5795 5942 7631 9826 1 6391 6500 1 1 1 1 4664 1 256.1365 *256.1388* C8 H16 N8 O2 1 3068 1 3284 3232 1 3176 3010 4549 4638 1 3544 1 1 4055 4627 1 1 4059 3908 3407 1 3175 3273 6270 6139 1 1 4693 4675 1 1 1 1 3644 3867 4125 4399 1 1 3430 3710 5815 6795 1 1 5893 5589 4450 4694 4200 3903 4442 4163 4591 5041 5964 6312 4442 4690 7444 6533 1 1 5244 5345 5865 6482 5207 5434 4467 4037 3892 3865 5277 5532 7043 7105 3615 1 1 1 6947 6907 3696 4290 2834 1 4726 4641 256.1388 *256.1412* 256.1412@5.064665 1 1 1 1 1 1 4993 5659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2973 3061 1 1 256.1412 *256.1435* 256.1435@1.1984767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1435 *256.1558* 256.1558@1.1751082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4646 4528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1558 *256.1658* 256.1658@1.1320591 1 1 1 1 1 24581 46104 1 1 1 1 24228 1 1 1 1 1 20113 20776 1 1 1 19815 1 21814 1 1 1 1 1 46761 1 1 1 1 23891 1 1 1 1 1 25137 1 1 1 1 1 1 26157 25852 1 1 1 1 1 23678 1 45064 1 28666 28254 1 1 1 99733 11457 1 23876 1 26591 1 1 1 1 1 1 1 1 1 1 1 27952 1 1 32669 30090 1 1 1 1 256.1658 *256.2276* 256.2276@1.5550878 1 1 1 1 1 1 1 1 1 1 6221 5747 1 1 1 1 1 1 24121 27172 6544 4341 12267 17722 1 1 1 1 12636 11812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11476 12060 1 1 1 1 1 1 1 1 1 1 4780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2803 1 1 1 1 1 1 1 1 1 1 1 256.2276 *256.2299* 256.2299@1.6037973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2299 *256.2387* 256.2387@2.0110984 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1562 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 256.2387 *256.2389* 2-propyl-tridecanoic acid 40760 40199 33671 33637 54222 55474 55456 54860 24481 25217 40224 40760 43804 46814 40994 42016 33820 31498 58689 55873 74796 74309 44098 44200 44440 45560 41396 39651 66299 65434 62165 62158 56445 56498 40856 40405 47077 47608 94790 92297 30027 32157 71075 74896 52487 52733 54297 54240 31253 32888 67823 65499 46168 46052 40255 41966 42210 42680 59172 57727 22710 23242 24444 24658 42910 43110 35233 35276 39430 39383 59993 58960 35465 35130 38376 38830 40947 41021 67152 68309 57515 57677 34934 34755 60425 59148 108115 107660 29936 29199 256.2389 *256.239* 2-propyl-tridecanoic acid - 1.9773412 24083 27202 25348 27663 34812 33621 117113 111899 33917 35688 42365 42474 11840 11171 11539 11811 14126 14105 25169 27484 23826 29608 8005 7643 13583 14901 16319 16237 12415 14817 22648 23191 26791 27878 12014 11964 20547 18489 23397 26518 16457 12396 23944 25928 37822 38614 36872 32139 27564 24076 75690 73981 14986 13843 32303 34755 75477 82928 51737 50147 46719 46135 32194 32597 49605 36806 21551 22467 33084 45879 12689 11743 16391 13680 15016 15914 41961 41002 71563 67796 39636 38965 68625 68001 83512 96817 7188 7352 61285 67160 256.239 *256.2809* 256.2809@1.5455492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2809 *256.2834* 256.2834@1.5639693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6345 2277 1 1 4705 3875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2834 *256.8278* 256.8278@3.3406317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 256.8278 *256.8279* 256.8279@3.2793226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4099 1 1 1 1 3457 7292 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4820 1 1 1 1 1 1 1 1 1 1 4145 1 1 1 1 1 1 1 1 256.8279 *256.8281* 256.8281@1.6474978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12285 8283 11100 11817 9224 9737 9882 9494 8466 8919 9584 8958 1 7667 6064 8796 7862 3884 8612 5771 8173 8773 6379 8413 7456 8511 9000 9098 9147 7039 7038 8614 9883 8734 3621 12168 13351 26558 11576 10540 10826 11466 11831 11118 11361 7849 10251 9445 13177 9295 9320 9216 12136 13230 24203 11557 8256 12038 11665 7206 256.8281 *256.8282* 256.8282@1.0236347 34759 9582 13303 13230 1 38817 9201 8185 1 33269 1 6679 28971 30300 1 13063 32808 1 1 1 1 24506 1 1 1 9957 5687 1 8545 8255 5197 2916 63196 13253 89147 3870 4799 3702 2129 1885 3050 2695 3979 63143 65783 1916 62817 2233 69332 2392 3181 2941 3565 3865 4257 3943 4639 3938 3391 3121 3910 4971 5105 5267 23619 26792 4429 4330 4494 6206 3331 3364 4955 4726 4122 3749 4941 4869 10102 4876 4542 4580 3632 3559 3124 2966 3074 3058 3320 3569 256.8282 *256.8283* 256.8283@1.233508 37521 44194 24416 24371 23308 11630 40940 38329 24993 24781 18877 9155 21876 17551 21567 20733 19267 15049 8785 21812 9122 8327 20634 10834 17932 15995 24971 20018 20682 26272 44987 42666 47631 37118 45215 44963 45036 46242 40283 41600 48000 43794 41526 45130 38597 39870 41406 16403 49706 43011 38442 40341 37467 44147 39954 42236 39854 39375 17977 19076 44442 16565 62128 24894 48705 39876 34511 70372 45802 18683 44032 42776 43351 40968 44522 44761 34326 41858 18609 43228 46254 50388 44857 45417 49988 49649 16578 36568 40341 41872 256.8283 *256.8283* 256.8283@0.9346869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3285 3267 1 1 1 1 1 1 1 1 1 1 1 1 2364 1 1 1 1 1 1 1 1 1 1 1 256.8283 *256.8283* 256.8283@3.186895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5057 1 1 1 1 1 1 1 1 256.8283 *256.8283* 256.8283@2.8212264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.8283 *256.8284* 256.8284@1.1524893 1 5723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3263 1 1 1 2736 1 1 68783 1 90597 74785 76021 32899 1 58825 68948 74925 1 1 57291 1 74626 1 71377 60039 58103 67488 82021 72244 63310 57332 57461 33042 32228 75764 32288 11712 10424 18961 18067 31624 1 78259 80079 62127 62292 67819 66951 71097 70701 59018 68943 32047 70295 71155 61267 74782 75029 29454 33316 37851 70709 79638 32030 256.8284 *256.8284* 256.8284@1.5473089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5350 1 1 1 1 3496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4724 1 1 1 1 1 4509 1 1 4163 256.8284 *256.8287* 256.8287@0.83675617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6347 1 1 37883 4173 3305 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 2690 1 4959 4263 1 3297 2839 3064 3752 5872 4977 1 3148 6234 2673 4288 1 1 2729 1 6576 6575 5167 5179 6167 1 2459 3144 1 1 5068 4785 2725 1 256.8287 *256.8287* 256.8287@2.0545082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 3194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.8287 *256.9987* 256.9987@0.95444727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4560 4643 1 1 1 1 256.9987 *257.0653* 257.0653@3.302946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 1 1 1 1 1 1 1 1 1 1 1 7464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6886 1 1 1 1 257.0653 *257.0654* 257.0654@3.2428396 1 1 1 1 1 1 7272 1 1 1 1 1 1 1 1 1 1 1 3311 1 1 1 1 1 1 1 1 1 1 1 4207 1 1 1 1 1 1 4875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4662 1 1 3909 1 1 1 1 1 1 1671 1 1 1 1 3748 6080 1 22475 1 4327 1 1 6589 3836 3851 1 1 1 1 257.0654 *257.0733* 257.0733@2.8110883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9431 1 1 1 1 1 257.0733 *257.0739* 257.0739@2.7140641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25387 26618 1 1 1 1 257.0739 *257.0791* 257.0791@2.5228 1 1 1 1 1 1 1 1 1 1 4182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.0791 *257.0844* 257.0844@2.530504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14424 13938 6212 6055 1 1 1 1 1 4879 1 1 1 1 1 1 1 1 1 1 8138 7829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4628 1 1 1 1 1 1 1 6642 1 1 5175 3138 1 1 1 1 1 5688 1 1 1 1 4614 1 9897 1 1 1 7086 7392 1 1 257.0844 *257.1372* 257.1372@2.5316472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6818 7353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1372 *257.1642* 257.1642@1.1528347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 1 1 257.1642 *257.2407* 257.2407@1.0869906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 257.2407 *258.0071* 258.0071@0.7224127 1 1 1 1 1 1 1 1 1 1 10791 6104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3442 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0071 *258.0175* C7 H12 Cl2 N2 O4 3446 3634 1 1 13667 10931 6025 9775 22162 1 1 3285 1 1 1 1 3375 3077 1 1 1 1 1 1 3384 3071 1 1 1 1 1 1 1 1 6074 11171 1 1 7078 6420 1 1 1 2548 2778 1 1 1 1 1 1 1 1 1 1 1 1 1 4885 5238 6696 7184 1 1 1 8114 16916 19261 1 1 5912 5112 1 1 1 1 1 1 1 1 1 1 1 1 3417 7658 1 1 1 5491 258.0175 *258.018* 258.018@0.7130513 1 1 1 1 1 1 1 1 1 19461 1 1 1 6388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15234 15112 3759 3851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8521 1 1 1 1 1 1 1 20819 21827 1 1 1 1 1 1 1 1 1 1 7621 1 1 1 1 1 258.018 *258.0297* 258.0297@0.7362734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44685 39182 1 1 1 1 1 1 1 1 1 1 258.0297 *258.0346* 258.0346@1.8593123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 2181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0346 *258.0604* 258.0604@3.6362343 1 1 1 1 1 1 13399 10687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9075 6135 1 1 7285 7558 1 3914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5212 4615 1 1 1 1 1 1 1 1 4185 3652 1 1 1 1 1 1 1 1 1 1 1 1 4199 1 1 1 1 1 1 1 1 1 258.0604 *258.0611* 258.0611@3.4523787 1 1 1 1 1 1 3595 5555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0611 *258.0612* 258.0612@3.656985 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3762 1 1 1 1 1 1 1 1 258.0612 *258.0816* 258.0816@6.8400373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5539 1 1 1 1 1 1 1 1 1 1 5143 1 1 1 1 1 1 6330 5734 1 1 6449 1 1 1 4928 1 1 1 1 5663 1 6265 5276 4992 4020 6919 7558 7246 1 5585 6203 1 6057 5691 2825 5511 9419 8914 6917 6534 9540 10191 1 2645 1 1 1 1 5315 1 6812 6817 1 1 6440 6501 8751 7695 5342 5399 258.0816 *258.0821* 258.0821@6.8392124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5202 4705 1 5868 1 1 1 1 6186 5949 6244 1 4887 1 1 1 2504 1 1 1 5789 1 1 6122 1 1 3951 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0821 *258.0843* 258.0843@1.5590262 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7930 1 1 11203 1 1 1 1 1 1 6436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3709 15059 1 14664 17292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14654 1 1 258.0843 *258.0865* 258.0865@1.2789674 1 1 1 1 1 1 1 1 1 1 1 1 74224 76857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0865 *258.0873* 258.0873@1.9692173 1 1 1 1 1 1 18767 17702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4289 4550 1 1 1 1 1 1 1 1 7845 7272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3990 1 1 1 1 1 1 1 1 5924 1 1 1 258.0873 *258.0899* 258.0899@1.1489558 1 1 1 1 1 1 1 1 1 1 1 1 8512 5756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4713 4276 1 1 1 1 258.0899 *258.0905* 258.0905@0.81812745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7912 8003 1 1 1 1 1 1 1 1 1 1 1 3719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7152 6912 1 1 258.0905 *258.0908* 258.0908@2.7596002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18207 6982 1 1 1 1 258.0908 *258.0959* 258.0959@1.982145 1 1 1 1 1 1 1 4215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6035 6995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4496 1 1 1 1 1 1 4713 1 1 1 1 1 1 258.0959 *258.0997* 258.0997@1.9669789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6781 7255 1 1 1 1 1 1 1 1 1 1 1 1 5601 1 1 1 1 1 1 1 1 1 258.0997 *258.1052* 258.1052@1.98604 1 1 1 1 1 1 1 1 5587 5040 1 1 4911 1 3846 6136 1 1 1 5902 7353 5183 4032 4229 1 1 1 6645 1 1 13091 10977 1 1 1 1 5711 6909 1 1 7108 2690 1 1 1 1 1 1 3643 1 22421 45934 1 1 3218 6925 1 1 18080 1 1 5114 1 1 10465 10493 3609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19773 21555 1 1 3159 1 258.1052 *258.1087* 258.1087@2.0234888 1 1 1 1 1 1 1 1 3422 1 1 1 1 1 6871 1 1 1 1 1 1 1 1 1 1 1 7689 4339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20439 12900 1 1 1 1 258.1087 *258.1105* 258.1105@2.0589972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1105 *258.1444* 258.1444@2.6651552 1 1 1 3104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4368 4265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2790 2880 1 2196 1 1 1 1 1 1 1 1 258.1444 *258.1445* 258.1445@1.4152752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8577 6603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1445 *258.1449* 258.1449@3.0079153 1 1 1 1 1 1 4895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1449 *258.1576* C8 H18 N8 O2 6420 6108 1 1 1 1 1 1 1 1 2857 1 1 1 1 1 1 2079 5110 4217 1 1 1 2660 4998 3137 2670 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 2478 2023 1839 1 1 1 1 1 1 3529 4337 3307 3373 1 1 1 1 1 1 3433 1 1 1 1 1 5567 5133 1 2389 4978 2622 5869 5407 5455 5869 4494 3755 5081 1 8873 7948 2348 1 7868 6901 1 1 1 1 258.1576 *258.1644* 258.1644@1.1786915 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4125 1 1 1 1 1 1 3838 4001 1 1 1 1 1 1 3040 1 1 2425 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6254 1 1 1 6778 1 1 1 1 1 1 258.1644 *258.1672* 258.1672@1.172429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1672 *258.1727* 258.1727@1.172823 1 1 2406 3137 1 1 1 1 1 1 1 1 1 1 2902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 1 1 1 1 1 5609 1 1 1 1 1 1 1 1 1 1 6848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1727 *258.182* 258.182@1.1355422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10047 1 1 1 1 1 1 1 1 1 1 1 19871 1 1 1 1 1 1 1 1 1 1 6522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26630 1 1 258.182 *258.1823* 2-methyl-tridecanedioic acid 23587 24179 34030 34669 20751 23004 43868 46767 22930 22619 16219 14917 25920 26607 28824 28876 11669 11244 19751 26098 63266 64403 33075 55550 19036 20600 23758 24121 14476 29909 48723 49674 90113 90363 29139 28431 34210 1 63757 63687 20446 13019 18495 18637 24370 16545 35742 35854 25218 25780 24806 24290 17133 17388 61705 67566 35098 14416 31539 29239 17642 20270 47694 46837 150445 144896 21910 22845 19165 21391 37353 39181 13493 13664 33447 34857 37988 35557 42372 45053 38043 41244 36280 33705 21046 21470 39505 23325 52054 55330 258.1823 *258.2265* 258.2265@1.9776242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2202 2089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.2265 *258.8251* 258.8251@2.8202736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2746 1 1 1 1 1 1 258.8251 *258.8252* 258.8252@1.6466675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11089 10478 10030 8678 8917 9211 7629 8766 8642 7569 6188 7852 5058 7130 6996 7741 1 8309 7939 4915 9975 8298 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1 3010 1 1 1 1 7505 1 1 1 1 1 1 1 1 1 2387 1 1 1 6378 1 1 1 1 1 3215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8241 1 1 1 1 1 3708 1 1 1 1 4079 1 1 1 1 1 1 1 1 258.8253 *258.8253* 258.8253@3.2592561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1 1 1 1 258.8253 *258.8253* 258.8253@1.6209929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3664 1 1 7141 1 1 1 1 1 1 4811 1 1 1 4105 1 1 258.8253 *258.8254* 258.8254@1.2180688 1 1 1 1 1 1 1 1 1 1 5332 14566 1 1 1 1 1 1 1 1 1 1 6755 10625 1 1 1 1 1 1 1 18265 1 1 1 1 1 1 20425 10772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33766 44161 1 25325 1 33019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25467 1 4470 4718 1 1 1 13317 25916 1 1 1 258.8254 *258.8255* 258.8255@0.87089443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5201 2506 1 1 3079 3574 2659 1 2109 1 1 1 1 2418 1 1 1 1982 1 1 1 1 1 1 1 1 2518 2308 3457 5308 1 4860 4993 2808 5519 1 4579 4948 3051 4093 3232 4713 1 2278 1 1 6264 3226 6074 5202 1 6398 5014 3926 3329 3046 4736 1 1 3344 258.8255 *258.8256* 258.8256@0.6693447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5198 1 1 1 1 1 1 1 258.8256 *258.8256* 258.8256@2.1519806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8256 *258.8264* 258.8264@0.83370245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.8264 *258.9896* 258.9896@2.9500818 1 1 1 2675 1 1 6679 7436 8850 8204 1 1 6976 7290 1 1 6086 7391 1 1 1 1 6935 6112 1 1 1 1 1 1 13626 13954 1 1 5957 7758 1 1 1 1 1 1 1 1 1 1 1 1 1 3674 10697 11510 4006 5650 1 1 1 1 1 1 3842 4356 1 1 1 1 1 1 1 1 1 1 1 1 12723 11976 6487 7248 1 1 1 1 14047 13069 1 1 1 1 2883 3083 258.9896 *259.0143* C12 H6 Cl N3 O2 4114 4080 1 1 11152 10958 12370 13915 8400 7819 36958 35489 1 3469 10985 11129 1 1 5877 6154 8820 7877 4708 5209 67769 68236 6240 5894 1 1 5904 11866 11958 13373 11433 14783 1 1 4210 4177 1 1 1 1 1 1 1 1 4574 4757 6196 5898 1 1 6174 6432 1 1 1 1 1 1 4675 4671 1 1 7490 7983 13371 15223 8362 8159 5270 5150 3033 1 21775 28728 2944 3168 1 1 1 1 16172 15363 1 1 28380 30188 259.0143 *259.0184* 259.0184@0.8555274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5626 5103 1 1 1 1 3861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6429 4567 259.0184 *259.0324* 259.0324@1.9866602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8689 3473 1 1 1 1 1 1 1 1 1 1 1 1 259.0324 *259.0451* 259.0451@0.92764837 1 1 1 1 1 1 1 1 2041 2842 1 1 1 1 1 1 1 1 4973 4317 1 1 1 1 1 1 1 1 1 1 1 1 12371 11462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1 1 1 1 259.0451 *259.0503* 259.0503@0.91489387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40674 37595 1 1 1 1 1 1 1 1 1 1 259.0503 *259.0504* 259.0504@1.8899597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37867 35696 1 1 1 1 1 1 1 1 5573 4999 1 1 3706 1 5299 6436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27317 33701 1 1 6969 7849 259.0504 *259.0506* 259.0506@1.9700648 1 1 1 1 1 1 1 1 1 1 5104 3629 1 1 1 1 1 1 65294 69650 4076 1 1 1 1 1 1 1 6173 6663 1 1 6310 6623 6301 5385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104254 103092 1 1 13031 13820 259.0506 *259.0518* 259.0518@1.6223156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3552 9666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12956 12424 1 1 1 1 259.0518 *259.0543* 259.0543@1.5961909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0543 *259.0569* 259.0569@1.9656738 1 1 1 1 1 1 1 1 3017 2126 1 1 1 1 1 1 1 1 1 1 1 3578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4116 3303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0569 *259.0697* 259.0697@5.7440486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0697 *259.0771* 259.0771@1.9710405 1 1 1 1 1 1 4068 4859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0771 *259.0804* 259.0804@3.6465793 1 1 1 1 1 1 8237 8375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7428 7766 1 1 1 1 6202 5882 1 1 1 1 1 1 1 1 1 1 1 1 4635 4613 1 1 1 1 6195 6460 1 1 1 1 1 1 1 1 4603 4459 1 1 1 1 1 1 4560 4645 1 1 5108 4896 1 1 1 1 1 1 3797 4048 1 1 259.0804 *259.1131* 259.1131@2.03348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1131 *259.9265* 259.9265@2.9468222 1 1 1 1 1 1 1 1 1 1 1 1 3725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9265 *259.9273* 259.9273@2.10111 1 1 5905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9273 *259.9275* 259.9275@2.9097805 1 1 1 1 1 1 1 1 1 1 1 1 3228 6006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9275 *259.9276* 259.9276@2.4688435 1 1 3896 1 3676 1 4528 6550 1 6039 1 1 3353 1 17197 3363 1 1 1 1 1 1 1 1 1 2234 4485 1 5215 1 4276 1 1 13592 13331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4744 1 1 8341 1 1 1 1 19390 3471 1 1 1 1 1 1 1 12746 1 1 1 1 9804 1 1 1 1 1 1 13811 1 8972 1 1 1 1 4076 259.9276 *259.9279* 259.9279@2.3434186 1 1 6241 1 1 1 1 1 1 1 1 1 1 1 1 4831 1 1 1 1 1 1 1 1 1 1 4638 1 1 1 1 1 1 1 6399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9279 *259.9983* 259.9983@0.8980394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9011 9816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9983 *259.9993* 259.9993@0.7946902 1 1 1 1 15266 15711 14206 13459 16819 16488 25589 27004 1 1 1 1 1 1 7174 4439 1 1 1 6296 1 1808 1 1 1 1 1 1 1 1 4733 1 1 1 1 1 20811 17484 1 1 1 1 18462 17591 5328 1 1 1 1 1 1 1 1 1 7360 8040 1 5034 1 1 52428 52019 1 1 1 1 1 1 1 12846 5473 19997 1 1 1 1 1 1 1 1 1 4264 1 1 1 1 259.9993 *260.0063* 260.0063@0.7917495 1 1 1 1 1 1 1 1 1 1 1 6381 1 1 1 1 1 1 1 7200 1 1 1 2255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10822 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0063 *260.0075* 260.0075@0.8911228 1 1 1 1 4432 4512 3889 1 1 1 5444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0075 *260.0146* 260.0146@0.91921633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0146 *260.0176* 260.0176@0.9073125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5676 9565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0176 *260.0188* 260.0188@0.70144093 1 1 1 1 1 1 1 1 1 1 8065 6460 12404 12381 1 1 1 3445 1 1 1 1 2198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14244 19631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21066 19342 1 1 1 1 1 1 260.0188 *260.0201* 260.0201@0.71005106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15550 12270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6151 1 1 1 1 1 1 1 1 4312 3931 260.0201 *260.0271* 260.0271@0.71282285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5469 1 1 1 1 1 1 1 1 3957 1 1 1 1 1 1 1 1 1 1 1 1 1 12318 11917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0271 *260.0342* 260.0342@0.7378039 4378 4322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 1 1 1 1 1 3328 2885 1 1 1 1 2572 1 1 3710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5757 1 1 1 1 1 1 1 1 1 1 1 1 9166 9656 1 1 1 1 1 1 1 1 260.0342 *260.0343* 260.0343@1.1867347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0343 *260.0345* 260.0345@0.89607203 1 1 18962 6890 1 1 1 1 26567 26646 1 1 1 1 5702 5191 1 1 1 1 1 1 16628 16379 1 1 7142 6643 1 1 1 1 1 1 1 1 1 1 2948 1 1 1 1 1 12805 12729 1 1 1 1 1 1 1 1 1 1 66844 69052 1 1 1 1 2952 1 1 18351 6068 1 1 1 22678 20977 1 1 1 1 1 1 1 1 13255 12704 11271 10885 85262 77409 1 1 1 1 260.0345 *260.0391* 260.0391@0.7997984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4037 1 1 1 1 1 1 1 1 1 1 260.0391 *260.0461* 260.0461@2.8148847 1 1 1 1 1 1 1 2914 1 1 1 1 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6499 1 1 1 1 1 1 1 1 1 1 1 1 5104 1 4549 4224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4723 1 1 1 1 1 1 1 4745 6177 1 1 1 1 2942 1 260.0461 *260.0477* 260.0477@0.8988625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 260.0477 *260.0607* 260.0607@3.6303382 1 1 1 1 1 1 4471 4754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0607 *260.0644* 260.0644@0.77 1 1 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0644 *260.0692* 260.0692@0.7720648 1 1 1 1 1 1 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0692 *260.0811* 260.0811@1.148238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0811 *260.0859* 260.0859@0.7907777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 1 1 260.0859 *260.0897* 260.0897@3.0518432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5429 5621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0897 *260.0916* 260.0916@2.3899028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6857 1 1 1 1 1 1 1 7912 5556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0916 *260.0959* 260.0959@1.9802349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3479 3620 1 1 260.0959 *260.0962* 260.0962@0.8049962 1 1 1 1 1 1 4266 5052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0962 *260.0974* 260.0974@6.410861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3998 3965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3657 1 1 1 1 1 1 1 3424 4631 4107 1 1 1 1 1 1 1 1 1 1 6797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0974 *260.1037* 260.1037@1.2069347 1 1 1 1 25939 26746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8148 8418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8411 9459 1 1 1 1 260.1037 *260.1244* 260.1244@3.050581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9407 7834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1244 *260.1246* 260.1246@2.2 1 1 1 1 1 1 1 4330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1246 *260.1565* 260.1565@2.6578445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5716 6061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1565 *260.1969* 260.1969@1.1224296 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24320 1 1 1 1 1 1 4793 1 1 1 1 12012 1 1 1 1 1 1 2801 1 5377 1 1519 11939 1 1 1 4426 1 1 5227 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 1 1 2836 1 1 1 1 8481 1945 1 1 1 1 1 1 260.1969 *260.8222* 260.8222@1.1959147 1 1 1 1 3617 3547 1 1 1 1 3280 3099 1 3037 1 1 1 2446 3020 1 3341 1 3672 3945 1 2976 1 1 3101 1 1 1 1 7234 1 1 2848 1 1 1 1 1 1 9823 1 1 10416 3879 1 1 1 1 6480 1 1 10737 1 9455 4856 1 1 1 1 4670 3912 10245 15595 6649 1 1 1 1 6577 5288 1 1 16029 1 1 6801 1 10239 1 1 1 1 1 5424 1 11506 260.8222 *260.8222* 260.8222@1.0946922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11935 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3830 1 1 1 1 1 1 1 1 1 1 260.8222 *260.9681* 260.9681@3.2802036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6242 1 1 5705 1 1 260.9681 *260.989* 260.989@5.286243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 2908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3663 3314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.989 *261.0296* 261.0296@0.9619588 1 1 1 1 1 1 1 44562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7016 7985 1 1 1 1 1 1 1 1 1 1 261.0296 *261.0299* 261.0299@0.88027287 107558 106102 1 1 1 1 459344 406814 1 1 1 1 65983 58513 1 1 1 1 1 1 1 1 1 1 1 1 9806 10454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97542 113110 1 1 1 3459 1 1 1 1 1 1 89137 86557 1 1 1 1 1 1 99177 98434 1 1 1 1 1 1 1 1 1 1 1 1 32919 26188 1 1 2511 1 314021 308222 1 1 261.0299 *261.0545* 261.0545@1.1250721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10693 10357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.0545 *261.059* 261.059@0.71409816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4229 3896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 3594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.059 *261.0636* OXOLINIC ACID 2526 2827 1 2362 2245 2465 1 1 3617 2995 4311 4379 3192 2784 4607 5052 2313 2272 7116 8358 3978 3446 4174 4626 5351 5940 7514 7294 8139 7459 5479 6352 5491 6443 3766 4079 8494 8243 5758 5782 6843 7047 7444 8204 5422 5411 5760 4585 8679 8291 7828 8477 7624 8267 12110 10604 10012 9699 12053 11639 13153 13992 5152 5448 9958 10919 12742 12160 10125 9496 25273 24433 7977 8042 4853 5073 7892 7528 9306 10325 14526 15136 10427 10528 13169 12698 13014 12799 8745 8263 261.0636 *261.0656* OXOLINIC ACID - 0.71193755 4552 4471 4027 4219 1 1 1 1 1 1 1 3064 1 1 1 1 1 1 1 1 4497 3996 1 1 1 1 3357 3347 1 1 3624 3738 1 1 3356 3708 3283 3507 4315 4853 1 1 3797 3312 1 3206 4661 4742 5927 5627 3974 3778 5358 5041 5489 5139 4789 4972 9355 9579 6588 6987 3989 4189 1 1 1 1 3581 4166 4267 4137 1 1 1 1 3062 2905 19974 20042 9897 9680 8043 7767 6319 6550 3304 1 5800 6236 261.0656 *261.1657* 261.1657@0.8867296 1 1 1 1 1 1 3511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 261.1657 *261.1658* 261.1658@0.8700699 1 1 1 1 1 1 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.1658 *262.0137* 262.0137@1.2591838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6008 1 1 1 1 1 1 1 1 1 1 1 262.0137 *262.0141* 262.0141@0.9299588 1 1 1 1 8929 8224 1 1 1 1 1 4229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7499 7098 1 1 1 1 1 1 1 1 1 1 1 1 5781 6353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0141 *262.0157* C10 H14 O2 S3 11606 11018 1 1 17688 17719 78946 78031 1 1 20910 19946 1 2794 1 1 15944 15895 20478 20236 3947 3712 1 3161 1 1 3900 4058 1 1 13321 15013 34401 32724 5899 1 8918 10994 20209 20992 1 1 1 1 1554 1 10056 6222 8283 7963 1 1 1 3451 6992 6607 1647 21546 1 1 1 1 7274 6302 80914 80827 1 1 1 1 7622 11330 1522 2678 3455 2108 1 1 447429 489358 17409 13792 10860 12419 43566 42288 8288 8032 13683 1 262.0157 *262.0174* 2,4-DICHLOROPHENOXYBUTYRIC ACID, METHYL ESTER 1 1 3543 4308 12380 14081 13427 14037 9559 12385 42466 39533 14423 27780 1 1 1 1 1 4733 1 1 5210 4671 1 1798 1 1 33774 32934 1 1 9842 8715 4331 4261 1 1 1 1 31483 32258 1 1 1 1 1 36377 1 1 1 1 1 1 1 1 1 1 3912 5243 63176 64135 5220 5502 15700 15429 29040 28688 1 1 1 1 4803 5513 9142 5829 1 1 1 1 1 1 1 1 1 5204 1 1 3371 2900 262.0174 *262.0202* 262.0202@0.8482392 1 1 1 1 1 1 1 1 1 10022 4604 1 1 1 1 1 1 1 10770 1 1 1 4710 4894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 28911 7249 3545 1 1 1 1 1 1 1 1 1 1 1 1 1 3840 3412 1 1 1 1 1 4184 1 1 1 1 1 1 1 1 1 1911 1 4116 1 1 6366 7415 1 1 3252 1 262.0202 *262.0209* 262.0209@1.1441442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5639 5650 1 1 1 1 1 1 1 1 1 1 1 1 4740 7005 1 1 1 1 1 5276 1 1 1 1 1 1 1 1 1 8453 1 1 1 1 12760 12950 4103 1 1 1 17481 1 1 1 6676 6076 1 1 1 1 2181 3418 1 1 1 1 1 1 1 1 1 5633 1 1 1 1 1 1 1 1 1 1 1 12846 262.0209 *262.0244* 262.0244@1.1362698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0244 *262.0311* 262.0311@1.1379776 1 1 1 1 1 1 1 1 1 4306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7180 1 1 1 7955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5085 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0311 *262.0319* 262.0319@0.8935162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5041 1 1 3097 1 1 1 1 1 262.0319 *262.0372* 262.0372@1.1370243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0372 *262.0545* 262.0545@1.1190224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6246 6800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5425 4306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3606 1950 1 1 1 1 262.0545 *262.0551* 262.0551@0.7122556 1 1 1 1 10697 1 7838 7464 10429 12240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13788 13130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8712 10818 1 1 1 1 1 1 16229 14484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0551 *262.0576* 262.0576@0.73994625 1 1 1 1 1 10891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0576 *262.0611* 262.0611@0.7419641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7182 1 1 1 1 4240 1 1 1 1 1 3149 1 1 1 1 1 1 1 3452 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 1 1 1 5416 1 2747 1 1 1 1 1 1 1 262.0611 *262.0635* C10 H10 N6 O S 16460 17385 19921 20334 1 1 1 1 1 1 13605 14957 10281 10221 11900 11529 8577 8488 13400 14176 20923 20116 10187 9917 12461 12574 15587 14235 7353 7183 17575 17571 2465 9320 18203 17349 15149 10880 25021 24130 1 1 16034 12091 16495 18277 22058 22865 26848 25696 19473 16006 22196 23017 23926 24886 22066 20744 43443 42227 30406 31554 18929 21146 1 1 11244 10859 17257 18024 20658 21838 1 1 9169 10744 13758 16152 89736 93110 37218 40357 32599 35329 26293 27353 13450 13572 28645 28608 262.0635 *262.0643* 262.0643@1.1587167 1 1 1 1 1 1 1 1 1 1 1 1 2880 3739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0643 *262.0753* 262.0753@1.9712298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0753 *262.0757* 262.0757@1.1667694 1 1 1 1 1 1 1 1 1 1 6899 5784 1 1 1 1 3912 2670 11264 11930 1 1 1 1 1 1 1 1 1 5251 1 1 5704 5629 1 1 1 1 1 1 1 1 1 1 1 8340 7842 8256 1 1 1 1 1 1 2148 1504 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 2269 1 1 1 1 5536 5144 1 1 6489 4977 1 1 1 1 3862 2350 262.0757 *262.0775* 262.0775@1.1578412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7753 7780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0775 *262.0795* 262.0795@1.2046031 7250 7167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18546 17662 5789 9818 16124 15795 1 1 1 1 4132 1 1 1 6702 4110 1 1 1 1 1 3170 1 1 1 1 4718 8263 7497 9971 4507 1 1 1 1 1 1 1 5753 5503 1 1 1 1 1 1 1 1 1 1 1 1 6059 6263 1 1 2417 2421 1 1 1 1 4959 5083 1 1 1 1 1 1 1 1 262.0795 *262.0801* 262.0801@1.9941089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 262.0801 *262.0841* C15 H18 S2 6906 7610 1 6156 1 7302 4474 1 1 5685 5905 6982 1 1 6996 1 1 1 4856 6697 6359 6596 4218 1 9216 6198 8117 8295 7902 6877 6381 5892 1 1 1 1 8699 6947 8076 8837 8326 7961 1 1 5340 4873 7897 8056 10357 9327 7988 7693 5000 6409 4093 7445 7118 10043 10040 9433 7125 8820 4842 7030 5200 5575 5688 5143 8528 8633 6893 6500 1 1 4813 7163 8760 6734 7837 8154 14208 12926 6997 5950 9800 11395 11107 8278 5664 6725 262.0841 *262.0848* 262.0848@2.0700893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0848 *262.1158* 262.1158@2.086395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1158 *262.1347* 262.1347@1.2048957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 262.1347 *262.137* 262.137@2.1091156 1 1 1 1 1 1 1 9096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6811 4607 1 1 1 1 1 1 5875 7602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.137 *262.1397* 262.1397@2.4587777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1397 *262.1403* 262.1403@2.1580782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4417 1 1 1 1 1 1 15729 13842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1403 *262.1406* 262.1406@2.4246716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9749 5099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1406 *262.1407* 262.1407@2.8176007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4264 1 1 1 1 1 1 1 1 1 1 1 1 1 3451 1 1 1 6742 6825 1 1 1 1 1 1 262.1407 *262.1416* 262.1416@1.0881593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 262.1416 *262.1827* 262.1827@1.0768079 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1827 *262.1921* 262.1921@1.0647964 1 3379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2574 3266 1 1 1 1 1 1 1 1 2160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16534 1 1 1 1 1 1 121333 98584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1921 *262.203* 262.203@1.1460922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 262.203 *262.8955* 262.8955@1.2138003 27888 26236 1 1 1 1 1 1 1 1 4199 7789 1 1 1 1 1 1 1 1509 2345 1912 1 1 1 1 1 1 1 1 1 1 1 1 22042 23504 1 1 1 1 1336 1540 1 1 2475 2629 1 1 1 1 1 1 1 1 1 1 2032 3936 1 1646 1 1 1 1 1 1 1 1 1837 1833 25677 27206 1 1 1 1 2593 1 1 1 1 1 5338 5591 1 1 1 1 25208 26367 262.8955 *263.0197* 263.0197@2.309523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75669 74146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0197 *263.0281* 263.0281@0.8849085 1 1 1 1 1 1 1 1 1 1 1 1 4916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0281 *263.0506* 263.0506@1.1265754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4649 4089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0506 *263.0521* 263.0521@3.5607953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103137 102991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0521 *263.0782* 263.0782@0.7246454 7435 7540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0782 *263.8468* 263.8468@1.0436492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 1 2424 1 1 1 1 1 1 1 1 1 1 2203 1 1960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2052 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2650 2735 1 1 1 1 4130 3943 1 1 1 1 2042 1847 263.8468 *263.9828* 263.9828@5.486065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.9828 *263.9948* 263.9948@1.0067875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 3157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3618 2995 1 1 1 1 1 1 5858 6678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.9948 *264.0161* 264.0161@1.1260245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3611 3378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0161 *264.0252* 264.0252@0.780601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0252 *264.0274* 264.0274@1.1193577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0274 *264.0291* (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate 7771 7527 5492 5234 11873 11586 26047 25806 6251 6607 11580 12154 6840 6530 7899 8115 7065 7252 11920 11349 4764 5355 4498 5305 6115 5308 4947 5018 6558 6561 16214 15578 12424 12147 6916 6518 6944 7245 21531 20065 7724 7878 1 1 8761 9118 6387 9581 6914 6922 8227 7887 3821 4896 9645 8674 11465 12244 7076 7509 7186 7576 9756 10399 5713 7648 6933 6639 5047 5478 10320 9919 4998 5510 7837 6785 5748 5679 12292 13416 12202 11459 11163 12408 22602 22277 8773 8292 8688 9574 264.0291 *264.0629* 264.0629@1.069606 1 1 1 1 2461 1 6229 4894 1 1 1 1 1 1 1 1 1 1 6966 7594 1 1 1 1 6148 4686 1 1 3699 3485 1 1 1935 1 1 1 1 1 1 1 4867 1 1 1 6452 5833 1 1 1 1 3916 5612 1 1 1 1 4692 4534 1 1 1 1 1 1 1 1 1 3168 1 1 1 1 1 1 1 1 1 1 4448 5629 1 1 1 1 9847 8333 1 1 1 1 264.0629 *264.0778* 264.0778@0.7263514 26382 26289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5444 5567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6572 7384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7367 6754 264.0778 *264.0898* 264.0898@2.5310438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0898 *264.0998* 264.0998@1.9948639 1 1 1 1 1 1 4008 4154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4638 1 1 1 264.0998 *264.1099* 264.1099@2.1501777 1 1 1 1 1 1 4884 4829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7382 7047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9212 9238 1 1 1 1 1 1 1 1 1 1 1 1 10059 11848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1099 *264.1102* N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 51932 52720 28678 29068 69540 71215 112492 109700 46864 44544 68469 69405 39388 39894 34877 33755 65796 66208 63758 60987 38569 37410 23751 23882 108982 109644 50013 50927 34992 34184 30505 32066 112711 114816 42182 42451 58275 58692 54038 53766 21133 22605 32316 32495 91085 90107 7858 8328 23202 22494 123038 125918 17641 17069 34871 34966 61470 62173 6402 7123 17008 16636 19134 18087 146248 149535 117971 119489 21054 21515 63477 62279 40161 39429 15556 16031 52889 54523 69850 73071 58645 58894 23566 24245 73893 71693 25807 26246 95937 95568 264.1102 *264.1103* 264.1103@5.2312965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1103 *264.1318* 264.1318@1.1509976 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 1 1 1 1 1 1 1 3776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3057 1 1 1 1 1 264.1318 *264.1373* ABSCISIC ACID (cis,trans) 1 1 4677 2982 1980 2394 21827 22286 7591 6456 8809 7729 9720 8193 6639 7699 13088 13905 13419 13206 8856 8331 9277 9558 23274 10104 1 1 10842 10658 2044 2400 17337 14154 16029 14361 10623 10349 7132 7281 18413 18674 4871 4919 9395 9763 7281 6500 6052 6336 1 1 11506 12066 12348 11808 6093 8358 6543 1 9757 11162 2940 3382 5901 3525 7944 7540 6929 6242 1 1 8467 9067 12606 11822 5932 5505 9663 9812 8778 9113 6610 8740 6221 8701 2302 10107 12335 11577 C06082 264.1373 *264.1406* 264.1406@1.1228712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4109 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 1 1 1 1 1 1 1 1 1 1 1 4404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 264.1406 *264.1439* 264.1439@1.1068661 4829 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6312 3764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1439 *264.1647* 264.1647@1.1012815 1 7947 1 1 1 1 1 1 1 1 1 1 1 1 13378 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1647 *264.1675* 264.1675@1.089898 3987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1675 *264.1705* 264.1705@1.0372293 15986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1705 *264.1944* 264.1944@1.1201106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 1 1 1 1 1 1 1 4894 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1944 *264.1992* 264.1992@1.1255642 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1826 1 1 1 1 1 1 1384 2189 1 1 1 2943 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1654 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 264.1992 *264.8925* 264.8925@1.2141364 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.8925 *265.0165* b-D-Mannose 6-phosphate 3323 3659 3098 3139 2865 3123 3125 3102 2573 2460 3344 3547 2487 2568 4022 3779 2002 1841 4914 6151 2122 2072 2039 2467 4115 4183 3551 3735 4652 5094 1991 2042 2759 2492 2084 2282 1632 1943 2167 2116 3153 3474 2284 2106 2812 3049 2542 2173 3061 2728 1588 1 1627 1827 2721 2528 2347 2252 7048 7197 2291 2365 3167 2922 2644 2667 2651 2647 2644 2929 3216 3014 1492 1 1 1 1 1 1 1 2433 2256 1 1 1 1971 1956 1845 2020 2144 265.0165 *265.0252* 265.0252@1.0783651 1 1 1 1 1 4902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.0252 *265.0394* 265.0394@0.7665826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7554 7333 1 1 1 1 4735 5036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.0394 *265.166* 265.166@1.0250907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4082 3129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.166 *265.8363* 265.8363@0.78007764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1 3626 3014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3258 1 1 1 2920 1 1 1 3642 2402 3453 2004 2008 1 3238 2288 3005 2151 1 1580 2952 2493 2742 1 1 1 1 1 1 265.8363 *265.843* 265.843@1.0448209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6621 7858 1 1 1 1 8080 3709 1 1 1 1 1 1 1 1 1 1 6192 6195 6351 3762 2488 5676 1 1 1 1 1 1 1 2493 1 1 1 1 1 1 8344 7601 1 1 1 1 6544 7719 1 1 3561 2166 1 1 1 2642 5243 5566 1 1 1 1 1 1 8777 9092 1 1 1 1 14442 13715 1 1 1 1 7862 7905 265.843 *265.8949* 265.8949@0.77294284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3197 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 1 1 265.8949 *265.8959* 265.8959@0.7313076 7748 22370 34118 33352 6901 19645 3669 3621 6434 15724 33087 33833 5284 5217 25483 24347 3634 3323 4250 4544 28941 28320 9011 24692 10469 28416 6560 6580 29345 29881 7599 18763 7541 16929 25167 26899 6751 20262 14852 14764 7314 7422 23315 24317 19198 28291 6396 6294 11140 29947 40396 31341 25204 26884 25681 25442 27684 23745 29021 32218 22588 8094 7809 18840 5661 5303 23453 9963 25744 25192 20402 8115 8574 9141 8700 8632 13185 36711 8451 9961 9451 9088 26645 26535 34594 32370 41455 39701 7020 7312 265.8959 *265.9405* 265.9405@5.601255 4413 5239 1 4363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.9405 *265.941* C7 H7 Cl N2 O S3 5203 4610 4579 4374 5040 5241 5450 5264 5249 5480 5288 5673 5029 5343 5827 5099 5516 4874 6034 6057 5203 5419 4975 5417 6073 6405 5308 4670 5315 5392 5041 5014 4824 5829 5766 5073 4980 4995 4852 5012 5536 5133 4363 4601 5241 5134 5888 5632 5961 5761 5966 6427 6676 6141 5155 5200 6287 5491 5607 6005 5801 5246 6059 5924 6037 5148 5620 6391 5978 6039 6582 6936 5571 5710 5782 5487 5351 5571 5528 5656 6313 5650 5463 5977 5996 6230 6550 6348 5403 5129 265.941 *265.9898* 265.9898@1.0977223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.9898 *266.0236* 266.0236@1.1091477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0236 *266.0711* 266.0711@1.2113458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0711 *266.0795* 266.0795@2.526634 1 1 1 1 1 1 13315 12811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18470 19891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0795 *266.0813* 266.0813@0.97386396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5354 5325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0813 *266.1185* 266.1185@2.4963307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83145 82240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28598 33351 1 1 1 1 1 1 102018 104517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109468 112316 1 1 266.1185 *266.1211* 266.1211@1.1431632 1 1 1 1 1 1 19555 19291 1 1 1 1 1 1 1 1 14344 12255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8967 8453 1 1 1 1 1 1 1 1 1 1 1 1 8959 7106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8245 1 19340 19916 1 1 13699 12839 266.1211 *266.1261* 266.1261@1.1437182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6305 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1261 *266.131* 266.131@1.1431518 1 1 1 1 1 4129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8892 11401 1 1 7621 1 1 12517 1 1 1 1 1 1 7847 8509 1 1 10376 11050 5717 6870 1 1 7525 1 9225 6263 4448 1 1 1 1 1 1 1 4899 6332 1 1 1 1 1 1 1 8618 9483 10548 8002 8574 1 9809 1 1 1 1 1 1 266.131 *266.1408* 266.1408@1.1452566 1 1 1 1 3280 1 1 1 1 1 1 1 9257 3681 1 1 1 1 1 1 1 4129 7268 10564 8709 1 1 1 1 1 1 1 3157 1 1 1 1 1 14091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1408 *266.1432* 266.1432@1.1503259 1 2461 1 1 1 1 1 1 1 1 8301 1 1 1 1 1 1 1 1 7053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11938 1 1 1 11065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1432 *266.148* 266.148@1.1323124 11123 11455 1 1 1 1 1 1 12730 1 1 9320 1 1 10506 1 1 1 11464 1 5863 1 1 1 1 1 8500 4656 5372 1 10369 13007 1 1 1 1 1 1 1 1 1 1 1 1 11129 14231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10004 1 1 1 1 1 1 1 1 7916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.148 *266.1518* 266.1518@1.6446869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4123 4103 1 1 266.1518 *266.1528* 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1) - 1.2524415 2558 1 68220 8877 4828 4688 11213 1 3118 4295 1 3979 3496 1 1 8983 1 1 5817 4488 1 1 4675 5191 1 1 1 1 3646 5172 1 1 3864 6711 2358 3782 13656 1 1 1 6097 5958 1 1 1 1 2616 5262 1 1 1 1 1 1 9154 1 1 1 7779 7717 1 8916 1 4721 6009 7231 1 8519 1 1 4102 1 1 1 4415 1 1 1 1 1 5363 11369 1 1 5108 3862 8746 1 1 1 266.1528 *266.1533* 266.1533@0.87527406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1533 *266.1535* 266.1535@2.0783951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 5994 1 1 1 1 3112 1 1 1 5888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1535 *266.1536* 5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoic acid (Gemfibrozil M4) - 1.9758611 7703 7677 7139 7924 8115 7744 12176 11504 8575 9094 9642 8495 6170 6334 5749 6246 7188 7196 8916 10620 7837 9540 6713 6411 5674 6864 8455 9638 7484 8366 7259 12314 9120 6735 7698 7785 8475 8469 8888 9577 10129 7694 7950 7224 8000 6427 7858 7897 6930 6330 12391 10999 6425 5826 7427 6932 8515 8678 8479 9375 8133 7298 6202 7662 8577 7758 7159 6243 6918 8622 5772 5335 5180 5776 5940 6040 6677 7026 9392 7755 7671 9027 8428 9460 8671 9819 5117 4491 7703 8632 266.1536 *266.1538* 266.1538@1.1115283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1538 *266.1539* 5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoic acid (Gemfibrozil M4) 6014 5692 7258 6932 19713 20379 6809 6507 1 1 11664 11391 24592 26072 10542 9836 6763 6123 22243 22789 3706 3960 32960 33267 10670 10882 1 1 21803 21694 1 1 5338 5365 5741 5236 4410 3975 5704 5954 15799 15063 7604 6643 3489 3778 1 1 5679 4919 14823 14683 13241 13567 10148 10974 3306 3186 3508663 3531050 1 3361 5104 5609 4120 1 5086 6068 3820 3347 11501 11391 20963 19889 3427 3482 16086 16565 9663 9972 3559 3939 3476 3749 12059 11001 4117 4003 14057 14203 266.1539 *266.1544* 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1) 1 1 3994 2942 1 1 1 1 1 14489 4737 1 1 1 1 1 125088 1 1 42640 53840 59812 6905 1 1 1 2685 12061 1 1 65085 8223 2524 16589 54359 4262 56301 1 1 62100 1 1 68236 65695 1 1 5251 8161 3486 48880 2132 1 7297 5069 1 62643 67449 1 13467 6034 5797 1 44305 54526 19739 30121 1 1 59014 3960 1 1 64052 62071 83575 1 1 1 80624 88978 86660 86465 60383 10468 4722 8334 7329 82303 66822 70565 266.1544 *266.1576* 266.1576@1.1026642 1 1 1 1 7622 1 1 1 1 1 1 1 1 1 1 1 1 7791 1 1 3647 1 1 8447 44648 1 6454 1 1 23438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7177 1 1 1 1 1 1 1 1 1 1 1 1 22948 14716 1 1 1 1 1 1 1 1 1 1 1 3346 1 1 1 1 1 1 1 1 1 1 1 1 266.1576 *266.1607* 266.1607@1.07899 1 1 1 1 1 4162 1 1 1 1 1 1 12641 1 1 1 1 1 1 1 1 1 1 1 1 4395 1 1 1 1 3386 1 1 1 1 1 1 1 1 1 1 1 2851 4276 1 1 1 1 1 1 1 1 1 1 1 3357 1 1 1 1 1 1 1 1 14993 1 1 1 1 1 1 4504 1 1 1 1 4768 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1607 *266.1686* 266.1686@1.0727055 1 1 1 1 1 1 1 1 1 1 2604 1 1 5485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 3707 1 1 1 1 1 1 1 1 1 1 1 1 1 16213 1 1 1 1 1 1 1 1 1 3200 1 1 1 1 1 4522 1 1 1 266.1686 *266.1731* 266.1731@1.0667222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 3756 1 1 1 1 3461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1731 *266.1795* 266.1795@1.0644857 1 5512 1 1 1 1 1 1 17909 4504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8482 1 1 1 1 1 1 34196 7227 40781 45182 5579 22463 1 1 1 1 1 1 2770 12643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11720 1 2729 1 1 3759 4090 1 1 1 1 1 1 1 1 1 4295 1 1 266.1795 *266.184* 266.184@1.0679681 5886 1 1 1 1 1 1 1 1 1 1 1 1 1 8830 8150 9021 9169 12055 10047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 4499 1 1 1 1 1 1 9551 8633 1 1 1 1 8061 8038 1 1 1 1 1 1 1 1 1 1 1 1 4693 4819 266.184 *266.216* 266.216@1.1124097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.216 *266.2202* 266.2202@1.0711639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15047 15280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12122 9320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.2202 *266.2222* 266.2222@1.0344222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22670 21068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.2222 *267.0208* 267.0208@1.1285801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4503 4564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.0208 *267.0241* 267.0241@0.72831285 1 1 1 1 1 1 1 1 1 1 1 1 3320 4454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6277 8051 1 1 1 1 1 1 1 1 4438 5959 1 1 1 1 6816 7173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12652 14349 1 1 1 1 1 1 267.0241 *267.0686* Sulfisoxazole - 5.819529 18131 17912 13381 12842 14021 13851 13331 12124 18306 17656 13764 14227 11843 11638 16689 16118 11100 10574 17386 16741 13116 12515 12950 13135 21445 20422 13366 13827 17097 16650 12516 12568 11177 11441 11232 11403 14717 14889 7988 7673 12596 12280 16170 16449 9356 9287 12215 12479 13731 12962 11575 11715 11169 11678 11750 11632 11090 11447 10245 9741 14296 14654 6156 6955 10233 10360 11455 11964 9518 10157 11074 10464 8968 8700 8609 8414 10853 11012 8720 8558 9106 8857 10843 10612 7419 8056 5849 5945 6796 6518 267.0686 *267.0687* Sulfisoxazole 23549 23797 18223 18523 16374 15934 19222 18768 22706 22889 17802 17440 15994 14439 19023 18774 12161 11987 20298 19773 17296 16301 14144 13820 20944 21897 16797 15382 19006 18530 12816 12992 14848 13850 13260 13783 16386 16162 9774 9934 12490 12389 16795 17626 11476 11741 13872 13264 12706 13403 11938 12956 13047 12525 12674 12222 14932 13925 12838 12210 15239 13854 6921 6908 11654 10734 11422 11316 11507 11324 12151 11110 8885 9260 10751 11044 12391 12124 9377 9439 9785 8936 12235 11741 9350 9588 7330 6845 8115 7169 267.0687 *267.092* 267.092@2.0569282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6880 6590 6811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.092 *267.1267* 267.1267@1.1380267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 267.1267 *267.1497* 267.1497@1.0943625 5429 4006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1497 *267.2934* 267.2934@0.82033646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8512 10870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.2934 *267.8387* 267.8387@1.0451219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2420 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.8387 *267.8718* 267.8718@0.8020617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 1 1 1 1 267.8718 *267.8876* 267.8876@0.7536884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.8876 *267.8937* C5 H4 N2 O S5 14652 1 1 1 11881 1 5637 5498 8857 1 1 1 9705 9332 1 1 5858 4706 2524 7242 1 1 15055 1 17952 1 11224 10904 1 1 5391 1 9817 1 1 1 14140 1 19155 18577 9391 9842 1 1 6256 1 8098 10872 13934 1 1 1 1 1 1 1 1 1 4508 1 1 13657 10133 1 8764 5572 7339 11102 1 1 1 10326 11948 11396 10819 12964 18392 1 13491 13665 16799 17112 1 1 1 1 1 1 13117 15326 267.8937 *267.9693* C11 H8 O2 S3 15251 15986 10243 9481 19110 19380 33832 33521 21308 20480 24615 26218 16990 17039 17220 17005 15811 15558 31644 28181 19578 20119 16129 17236 26734 26977 14574 14534 16164 15282 17226 18098 20204 19798 15624 18899 10425 10971 14723 13626 5810 7668 10726 19857 27157 26102 1 1 11248 10545 34658 34201 4308 4105 14843 14943 26521 26309 4757 4606 1 1 5510 5919 10938 11456 22938 22901 13610 14259 23226 22092 10173 9791 6659 6633 22867 23410 19981 14740 12100 12111 5563 5768 29558 31598 3905 4019 34304 34110 267.9693 *267.9693* 267.9693@0.81099635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.9693 *268.0741* 268.0741@1.9752331 3884 4330 1 1 1 1 1 1 1 1 1 2485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4035 4878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.0741 *268.0803* 268.0803@2.8826702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4753 4657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 1 1 1 1 1 1 5004 1 1 4221 1 1 1 1 1 1 1 1 1 10549 9559 1 1 1 1 1 1 1 1 1 4423 1 1 1 1 1 1 1 1 268.0803 *268.0832* 268.0832@0.7116117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4874 4786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3284 1 1 1 1 1 1 1 1 268.0832 *268.1093* 268.1093@3.960857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12750 11858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1093 *268.1098* 268.1098@4.7421255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 4614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1098 *268.1306* 268.1306@1.2396578 1 1 6410 1 1 4362 1 1 1 1 1 1 5698 1 1 1 7111 31181 11938 9668 12300 1 10238 1 13222 1 1 1 1 1 1 10825 1 1 1 1 1 5596 1 1 1 1 6026 1 1 23278 1 1 1 16889 1 1 13609 1 1 1 1 1 1 18413 1 1 6144 5828 1 1 1 10169 1 1 12412 13447 8514 1 15979 13671 1 1 1 19584 9321 1 1 1 1 1 1 1 1 1 268.1306 *268.1317* C15 H16 N4 O 349735 369021 121083 126935 113472 117445 914747 950991 210813 206406 271637 286570 202222 212406 177259 175985 651235 646406 346296 350283 280757 302132 313334 331265 284326 290426 175893 167884 153668 200484 208366 215083 565598 577000 414977 440698 236681 239546 430680 403237 176298 285294 112811 112004 460667 435726 235574 244821 280778 279117 224779 228402 311247 329124 165198 166377 406970 405741 481619 486471 196535 194506 103188 103318 132009 132920 175971 167312 228799 239161 245824 239928 143416 155549 262441 263080 333152 333485 459283 458391 427491 415130 460229 464086 906216 867833 210439 211241 637361 654011 268.1317 *268.1346* 268.1346@1.2727611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1346 *268.1381* 268.1381@1.2343382 1 1 1 1 1 3589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9223 1 1 10505 1 1 4572 3883 1 1 1 1 1 1 1 1 1 1 113634 6085 1 1 1 1 1 1 1 1 4964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1381 *268.1457* 268.1457@1.2758764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10479 1 1 1 1 9426 5375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9172 1 1 1 1 1 1 1 1 1 268.1457 *268.1533* 268.1533@1.0331022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7528 1 1 1 1 1 1 1 1 1 268.1533 *268.1539* 268.1539@1.2817374 1 1 1 1 1 1 1 1 1 1 1 1 7059 8090 8390 1 1 1 1 9619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1539 *268.1589* 268.1589@1.0396882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7442 55057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37115 1 1 1 1 1 1 1 1 268.1589 *268.1611* 268.1611@1.2822238 4800 6742 1 1 1 1 1 1 1 1 1 1 1 1 1 6734 1 1 1 1 1 1 1 1 1 1 12117 11862 17263 17478 1 1 1 1 1 1 1 1 1 1 21132 19067 1 1 1 1 1 1 1 1 15337 19047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1611 *268.1633* 268.1633@1.0406142 4766 4747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1633 *268.1683* 268.1683@1.0877393 1 1 1 1 1003 1 1 1 1 1 1 1 1 1785 1 2365 2396 1383 1 1 1 1 1 1 2170 2435 2361 2732 5109 2899 1 1 1 1 1 1 1 1 1 1 6562 7998 1 1 1 1 2340 1 1 1 4224 1 1 1 2422 1 2918 1 1 2107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1 1608 1 2732 1 4249 1 1 1 2566 2844 1 1 1 1 268.1683 *268.1768* 268.1768@1.1022079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2195 1 1 1 1 1 1 1 1 2691 1 1 1 1 1 1 1 1 1 3178 2754 1 1 1 1 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 2516 1 1 1852 3051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1768 *268.1847* 268.1847@1.1016842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 2318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1847 *268.1922* 268.1922@1.1095299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 2828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7751 6115 1 1 268.1922 *268.2222* 268.2222@1.0386618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74076 1 1 1 1 268.2222 *268.2327* 268.2327@1.0395869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 2181 1 1 3500 3219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 268.2327 *268.2364* 268.2364@1.0427686 1 1 1 1 3012 3477 2213 2020 1 1 1 1 1 1 1 1 1 1 1 1 14698 5469 1 1 1 1 1 1 1 1 6380 6356 2911 1 1 1 1 2904 12741 4458 1 1 3696 4360 1 1 1 1 1 1 5445 9695 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 3707 3633 2371 1 1 1 1 1 8468 8466 1 1 268.2364 *268.3163* 268.3163@1.1378757 1 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.3163 *268.3242* 268.3242@1.1362729 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1947 1828 1489 1 1 1 1 1 1 1 1 1 1 2671 2842 1 1 2974 3628 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1924 2724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.3242 *268.8975* 268.8975@0.77977085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4862 1 1 7036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.8975 *268.9677* 268.9677@0.7841884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4845 1 1 1 1 1 1 1 1 1 1 268.9677 *268.9683* 268.9683@1.135082 1 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.9683 *268.9691* 268.9691@0.76702726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6344 1 1 1 1 1 1 7119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4340 4089 1 1 1 1 1 1 4632 4243 1 1 1 4561 1 1 268.9691 *269.0204* 269.0204@1.1325889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6916 5836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0204 *269.0689* 269.0689@2.1682584 1 1 1 5089 1 1 8385 9487 1 4060 1 4389 1 1 1 1 1 1 1 5276 1 1 1 1 1 1 1 1 1 1 1 1 4760 4954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3699 4627 1 1 1 1 1 1 1 1 1 1 1 1 4228 1 1 1 1 1 1 1 5069 1 4977 4623 1 1 6202 6667 3198 4094 1 1 269.0689 *269.0895* 269.0895@3.6587253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7473 5576 1 1 1 1 269.0895 *269.0999* 269.0999@2.1036546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0999 *269.1331* 269.1331@1.2393552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3588 1 1 1 1 3678 1 7015 1 1 1 1 269.1331 *269.2724* 269.2724@1.135082 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.2724 *269.8913* 269.8913@0.7299626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4714 4652 1 1 1 1 1 1 1 1 3772 1 1 4574 1 1 3547 3159 1 3271 1 1 1 1 1 1 1 1 1 3423 1 1 1 1 1 1 1 1 4675 1 1 1 1 1 1 1 1 1 1 1 1 1 269.8913 *270.0038* 270.0038@0.9001373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5592 5973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4201 1 1 1 1 270.0038 *270.0213* 270.0213@0.7122688 1 1 1 1 4959 4285 1 1 9556 9732 4465 4278 1 1 1 1 1 1 1 1 1 1 5415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12214 13076 1 1 1 1 5772 6642 1 1 1 1 1 1 1 1 1 1 1 3266 1 1 1 1 1 1 1 1 1 1 1 1 3384 1 1 1 1 1 1 1 1 1 1 1 1 2555 1 1 3541 3959 270.0213 *270.0328* 270.0328@0.7104809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3446 3069 1 1 1 5326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0328 *270.0342* 270.0342@0.71345246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0342 *270.0411* 270.0411@0.71229607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0411 *270.0414* 270.0414@1.9623086 1 1 1 1 1 1 6039 4914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 1 1 1 1 2519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0414 *270.0587* 270.0587@2.2920804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6175 1 1 1 1 1 1 1 1 1 1 1 270.0587 *270.0619* 270.0619@2.258805 1 1 5887 1 1 1 1 13544 1 1 1 1 1 1 1 1 1 1 1 4115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2525 7381 3159 1 1 1 1 1 1 1 1 1 1 1 1 1 4532 6089 1 1 1 1 5963 1 1 1 1 5261 270.0619 *270.0647* 270.0647@2.8447628 1 1 1 1 1 1 5196 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27503 27829 1 1 1 1 270.0647 *270.0655* C7 H10 N8 O2 S 17313 17533 10881 18925 23054 22465 50199 31731 15426 16153 16541 19403 9202 9872 12029 12428 10709 11951 21376 18151 10612 11078 10634 10104 11596 12049 11513 12024 10819 10865 11026 12149 20099 20073 7099 8910 11623 11496 10274 11526 15300 17752 7333 6859 12849 13152 7474 8377 17520 18269 19904 21930 9343 9905 12287 13285 22673 17391 9068 10220 8312 7658 11059 10586 6865 10183 11772 13123 8479 7962 16580 19479 7517 7597 8079 8421 9474 9652 16262 22512 21315 19996 16592 17785 23861 22524 16285 17306 13746 13815 270.0655 *270.0791* 270.0791@2.983062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5199 6118 1 1 12282 11608 1 1 1 1 1 1 270.0791 *270.0815* 270.0815@6.588846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 2097 1 1 1 1 1 1 1 1 2653 2502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0815 *270.0817* 270.0817@2.975089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 5362 6698 1 1 1 1 1 4067 1 1 1 1 1 1 3363 1 1 1 1 1 1 1 1 7604 3021 1 1 1 1 1 1 1 1 1 1 1 5929 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 1 1 1 1 1 2952 270.0817 *270.0844* 270.0844@0.78526735 1 1 1 1 1 1 1 1 1 1 5067 5555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0844 *270.093* 270.093@2.9357083 1 1 4145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3314 1 1 1 1 5184 1 6643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7881 4762 1 1 1 6558 1 1 18368 17971 1 3656 1 1 5462 7492 1 1 18054 9782 7757 1 1 1 1 9724 1 1 1 1 1 1 1 1 1 1 1 1 5887 1 1 7884 270.093 *270.0944* His Asp 35959 33666 12843 15129 17703 15604 1 1 1 1 63863 62341 1 1 6876 5807 1 1 10857 10923 41349 36589 1 1 14795 9532 54957 52781 83361 83395 1 1 43460 38957 1 2926 105856 111409 42380 47257 41767 42650 213650 199033 42778 39987 88355 91150 24133 25940 19265 16272 17964 13643 88342 93774 21735 15691 34024 21096 49399 52515 29457 29401 47493 51648 31816 30882 12447 22015 19056 21481 100302 88842 1 1 50813 55812 27856 19256 16413 15058 1 1 27514 29344 13259 23320 49005 39864 270.0944 *270.0945* 270.0945@2.8790686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0945 *270.0947* 270.0947@3.1511862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11014 9007 1 1 1 1 1 1 1 1 1 1 1 1 1 4023 9894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3378 1 1 1 270.0947 *270.1388* 270.1388@1.0470915 1 1 1 1 38601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1388 *270.1394* 270.1394@2.8915772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7929 14242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1394 *270.1437* 270.1437@1.101824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30824 32676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3074 1 6836 1 1 1 1 1 1 1 1 1 1 270.1437 *270.1445* 270.1445@2.8655276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1445 *270.1448* 270.1448@1.5036662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3988 3949 1 1 1 1 1 1 1 1 6941 1 1 1 1 1 1 1 1 1 1 1 5369 6306 1 1 270.1448 *270.1448* 270.1448@2.552129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6300 6423 1 1 1 1 1 1 3315 1 1 1 1 1 1 1 1 1 1 1 3067 2664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5287 4619 1 1 1 1 1 1 1 1 270.1448 *270.1459* 270.1459@1.2815452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6641 4652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 4501 1 1 270.1459 *270.1529* C8 H22 N4 O6 1 7594 1 1 1 1 1 17296 1 1 6161 1 1 1 1 1 1 10412 1 10464 2812 1 6106 7406 4919 2788 2698 2053 1 7662 1 1 1 5474 10086 1 1 1 1 1 7097 1 1 1 1 3884 2894 3323 2796 4662 1 3228 1 1 1 1 2505 1 1 1 1 3217 1 1 1 5365 1 1 2272 1 3884 4604 1 1 1 2315 1 1 7486 1 1 9115 1 9639 17420 15745 1 1 1 11340 270.1529 *270.1564* 270.1564@4.95731 1 1 1 1 1 1 4438 4962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3670 3374 1 1 3613 3829 1 1 1 1 270.1564 *270.1572* 270.1572@1.1600206 7285 1 1 1 1 1 1 1 1 1 1 5567 1 1 1 1 1 1 11722 1 1 1 1 1 1 1 1 1 9162 1 1 1 5897 1 1 1 1 4291 1 1 1 1 1 1 1 1 1 1 1 1 5602 1 5644 4305 1 1 1 3027 1 1 1 1 1 1 7845 1 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9037 1 1 1 1 1 1 1 270.1572 *270.1626* 270.1626@1.1549021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1626 *270.1794* 270.1794@1.1258045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10947 1 1 1 1 1 14161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15226 1 270.1794 *270.1861* 270.1861@1.1221322 13403 12921 10267 1 1 1 1 13463 1 1 1 1 1 1 1 18015 8948 7685 1 1 1 1 9059 1 1 1 13773 14075 1 1 1 1 22316 23888 1 1 1 1 1 1 1 1 1 1 14689 1 1 1 1 7093 1 1 8626 1 1 1 21064 21232 1 1 1 1 8698 1 56930 58749 10470 11233 1 18842 1 1 1 1 1 1 1 1 1 1 1 1 9362 9952 13889 11694 1 1 1 13610 270.1861 *270.1898* 270.1898@1.1241535 1 1 1 1 1 1 1 1 1 1 1 1 16077 17217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1898 *270.1961* 270.1961@1.122887 1 1 1 9851 1 1 1 1 1 1 9871 8585 1 1 1 1 1 1 14021 17017 16128 15940 1 1 1 1 1 1 16576 15736 1 1 1 1 1 1 8787 13591 1 1 1 1 1 1 1 1 13844 14178 1 1 20346 19875 1 1 8881 8526 1 1 17635 16642 1 1 1 1 1 1 1 1 1 1 24046 22835 1 8713 13195 13326 1 1 16910 17416 16194 16233 1 1 1 1 1 1 1 1 270.1961 *270.2005* 270.2005@1.1269594 1 1 1 1 10917 11647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15698 16535 1 1 1 1 1 1 1 1 1 1 1 1 270.2005 *270.2081* 270.2081@1.1214938 1 1 1 1 1 1 3895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28544 28608 1 1 1 1 1 1 1 31259 1 1 10891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2081 *270.2089* 270.2089@1.1119717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3340 1 1 1 1 1 1 1 1 1 1 1 1 2433 1 1 30480 1 1 5740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 16902 1 1 1 270.2089 *270.2169* C15 H30 N2 S 1 1 1970 1930 1 1 1 2736 1 1 1 1 2549 2011 2966 2712 2844 2413 1 1 1 1 1 3339 1 2973 1 1 1 1 1 1 1676 1624 1 1 2128 1 1 1 1761 1 1 1 2454 1 2426 1926 2758 3715 3502 2993 3207 4168 1 1 2317 1601 1 1 1 1 1 1 1 1707 2979 3138 1 1831 2371 2336 2236 1 1 1457 1 1 1 1 1 1 3990 1 1 2195 23704 38631 1 1 270.2169 *270.2493* 270.2493@1.9789734 1 1 1 1 1 1 3889 4143 1 1 1 1898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2475 3713 1 1 1 1 2554 3135 1663 2120 2435 1591 1 1 1759 1 1 1 1 1510 1 1 1 1 1 1 1898 2098 3201 2379 1 2533 2957 3259 3992 4343 1 1 2741 3298 270.2493 *270.8846* 270.8846@1.0955908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3329 2554 1 1 3000 2825 1 1 1 1 1 1 1 1 2332 2715 1 1 1 1 1 1 1 1 12583 12727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.8846 *270.8945* 270.8945@0.7647849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.8945 *271.014* 271.014@1.1448984 1 1 1 1 1 1 14381 12046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4003 3292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5211 5417 1 1 1 1 271.014 *271.0977* 271.0977@2.8464096 1 1 1 1 1 1 1 1 1 1 1 3573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.0977 *271.1502* 271.1502@1.0733707 1 28727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1502 *271.2132* 271.2132@1.2061735 2867 2970 1838 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3562 2573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 2957 2242 271.2132 *271.9817* 271.9817@2.9318936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5844 1 7671 1 1 1 1 1 10103 1 7628 4541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8325 9838 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7931 2091 1 1 1 1 1 1 1 1 271.9817 *271.9817* 271.9817@2.9742641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.9817 *272.0286* 272.0286@0.71270084 1 1 1 1 1 1 1 1 4119 4010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0286 *272.0616* 272.0616@2.3202744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42972 4714 1 1 1 1 272.0616 *272.0764* C10 H8 N8 O2 12539 1 1 1 11353 11210 9919 1 1 1 14386 14624 11562 11160 1 1 9256 9105 19345 1 13004 12879 1 1 1 13700 1 14804 13382 13654 12886 1 7417 7845 1 8762 11939 12266 9731 9482 1 14681 1 1 10695 11204 14200 1 1 1 12009 12409 1 1 1 1 13925 1 1 1 1 18067 1 1 9256 9747 1 1 1 1 20999 1 13575 1 1 1 1 1 1 1 1 1 1 1 1 17179 11832 11998 16143 15660 272.0764 *272.0816* 272.0816@1.2168562 1 1 1 1 1 1 1 1 1 1 1 1 4467 6513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0816 *272.0876* 272.0876@2.7145634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24713 32677 1 1 1 1 272.0876 *272.0897* 272.0897@1.4169935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0897 *272.0903* 272.0903@1.3187026 6186 1 1 1 1 1 1 1 1 1 1 6862 1 1 1 1 1 1 28094 26834 1 6022 25358 29513 1 1 1 1 1 1 1 1 10409 7133 1 1 1 1 1 1 1 1 1 1 1 7222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11939 12324 1 1 13658 1 1 1 1 1 1 1 272.0903 *272.0918* 272.0918@1.2205825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6791 5445 1 1 1 1 1 1 1 1 1 1 1 1 1 3615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0918 *272.1058* 272.1058@0.80252534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3811 1 1 272.1058 *272.1093* 272.1093@3.2184305 1 1 1 1 5644 5858 1 1 1 1 3350 1 1 1 8711 9290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7372 7086 1 1 1 1 40839 43136 1 1 1 1 1 1 1 1 1 1 1 1 16223 15438 8766 8474 1 1 7599 6940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1093 *272.1436* 272.1436@3.9813118 7637 6279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1436 *272.1438* 272.1438@4.233225 7882 7883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1438 *272.1512* 272.1512@1.3289405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7334 1 1 1 1 1 1 1 1 272.1512 *272.1571* 272.1571@1.3196294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4998 6613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1571 *272.16* 272.16@2.624096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 4040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3889 4117 1 3015 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 4666 4928 3650 3462 1 1 1 2395 1 1 1 1 272.16 *272.1608* 272.1608@2.878648 1 1 5007 5302 1 1 7846 7391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6126 5787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5940 6936 1 1 1 1 4042 1 272.1608 *272.1611* 272.1611@1.391071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4126 1 5569 1 1 1 1 6690 6760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2410 5423 1 1 3919 2062 1 1 1 1 1 1 1 1 1 1 272.1611 *272.1612* 272.1612@1.3450296 1 1 1 1 1 1 6190 10421 1 1 1 1 1 1 1 1 1 4436 1 1 1 1 1 1 1 1 1 1 5020 6810 4359 5350 6007 5490 1 1 1 1 5322 4772 1 1 1 1 4111 4584 1 1 1 1 1 1 1 1 1 1 4972 8345 1 1 1 1 1 1 151103 148397 8591 6314 1 1 1 1 5230 3748 3859 2150 1 1 6674 3422 6045 1 1 1 1 1 5283 8265 1 1 272.1612 *272.1675* 272.1675@1.1838487 1 4219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4047 4230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1675 *272.1755* 272.1755@1.1984922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1755 *272.2044* 272.2044@1.1107968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25465 26937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14019 12755 272.2044 *272.2118* 272.2118@1.1064658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8954 9374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.2118 *272.2212* 272.2212@1.1061116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16834 1 1 7379 1 1 1 1 1 1 1 11421 11149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.2212 *272.2282* C15 H32 N2 S 17650 16705 14018 13822 15718 1 21588 20904 9274 9349 12528 12004 16517 15676 12495 12412 11588 12607 15914 16055 21225 20618 13845 13918 12278 12126 12161 12052 2572 16801 1 1 22255 23467 10400 10721 1 16328 1 1 12394 13168 1 1 15033 15822 19389 8509 12292 11991 20794 7131 12635 12397 11892 11459 15294 1 18198 18662 1 7227 1 1 1 1 4615 13931 1 1 24447 23465 10898 11023 11692 17317 12907 13187 3256 24198 17988 14548 12176 13025 20225 18926 1 1 1 1 272.2282 *272.2315* 272.2315@1.1034567 1 1 1 1 1 15981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14569 1 32949 34481 1 1 1 1 15847 1 48915 50143 1 1 17480 2400 1 1 1 11234 1 1 1 15187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8916 1 1 1 1 1 1 1 5712 1 1 1 20664 1 1 1 1 1 1 1 39363 40303 1 1 272.2315 *272.2316* 272.2316@1.1001308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.2316 *272.2328* 3-hydroxy-hexadecanoic acid 3698 3806 5037 5188 5728 5799 11544 11989 5077 4665 5823 5676 1 4455 4201 4537 1 2705 7511 7685 6918 8013 4306 5533 4271 1 3272 4426 6886 6169 9472 5887 6663 6907 1 1 3940 4800 6381 5186 3381 1 4259 4827 5665 5484 5854 4796 4510 4111 8396 9326 1 1 3516 3334 7586 9092 12719 13118 3414 3820 1 2434 6830 6217 3935 4281 4270 4105 5220 4702 3383 1 3007 2851 5607 5302 9862 9886 4042 4760 4949 5803 7055 7724 5847 5170 4132 4272 272.2328 *272.2332* 272.2332@1.5448657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3870 1 1 272.2332 *272.234* 272.234@1.6491746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14319 8829 1 1 272.234 *272.2346* 272.2346@1.9641867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.2346 *273.0053* 273.0053@2.9666767 1 1 1 1 1 1 5905 6109 5192 4827 1 1 4338 4337 1 1 4594 3914 1 1 1 1 3036 3479 1 1 1 1 1 1 15173 15467 1 1 3055 3651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9472 9410 2613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8054 8461 4554 4343 1 1 1 1 13879 12836 1 1 1 1 1 1 273.0053 *273.0053* 273.0053@1.5352759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7639 7813 5642 5802 1 1 6004 5342 10726 10982 1 1 1 1 7379 8227 5175 6100 1 1 5022 5096 1 1 1 1 7630 7545 6331 6313 1 1 3055 1 1 3006 2747 1 1 1 1 1 3250 2946 8508 9622 4312 4810 10704 10425 4716 4914 4224 3111 4966 4916 17721 9586 1 1 273.0053 *273.0057* 273.0057@1.4421587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 3489 3439 1 1 1 7027 1 1 273.0057 *273.0324* 273.0324@2.0521746 13214 12447 1 1 1 1 1 1 1 1 10598 10672 1 1 1 1 1 1 7557 6102 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 4370 3705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3912 6434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19723 20033 273.0324 *273.0874* 273.0874@2.812089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11743 1 1 1 1 1 273.0874 *273.0875* 273.0875@2.7165642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35703 47816 1 1 1 1 273.0875 *273.8891* 273.8891@6.395021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 4463 1 1 1 1 1 2777 4641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.8891 *273.8893* 273.8893@6.8169265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.8893 *273.979* 273.979@1.6401306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 2869 1 1 1 1 273.979 *273.9799* 273.9799@1.1826556 1 1 5713 4055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.9799 *274.0139* 274.0139@0.9106629 1 1 1 1 4230 4531 19021 18814 5964 6948 33001 33790 1 1 1 1 1 1 10108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9693 9608 1 1 1 1 8703 10735 1 1 1 1 5931 6425 4771 6377 1 1 1 1 1 1 1 1 1 2795 4232 4791 1 1 16356 16836 5625 5328 1 1 1 1 8101 7956 2964 3120 1 1 1 1 1 1 1 1 1 1 1 1 8988 8657 274.0139 *274.014* 274.014@0.8471545 1 1 1 1 1 1 10000 10627 5029 5947 24865 24960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11019 8850 1 1 1 1 1 3371 1 1 1 1 4170 4229 1 1 1 1 1 1 1 1 1 1 1 1 4484 4902 7005 7199 1 9677 1 4027 1 1 1 1 1 4274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7135 6803 274.014 *274.014* 274.014@1.1066287 1 1 1 1 1 1 5130 4708 1 1 4405 5253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.014 *274.0156* C13 H7 Cl N2 O3 1 1 1 1 18606 13844 13174 12249 26815 27208 16248 12918 20638 21211 1 1 1 1 30894 31037 1 1 14094 10590 1 1 1 1 1 1 1 1 1 1 8287 7148 1 1 1 1 22891 25919 1 1 1 1 7144 7732 1 1 1 1 1 1 1 1 1 1 1 3352 1 2251 1 1 29472 19254 14836 12747 1 1 1 1 41581 32648 5382 5696 1 1 7483 6888 1 3305 1 1 9268 8491 1 1 7935 7472 274.0156 *274.0206* 274.0206@1.1059896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9047 8776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0206 *274.0222* 274.0222@0.7550254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6887 1 1 1 1 1 1 1 1 1 3587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0222 *274.0234* 274.0234@0.76060057 1 1 1 1 2216 1 1 1 1 1 1 2045 1 1 1 1 2668 1 1 1 1 1 1 1 2882 1 1 1 4190 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3099 5744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 5123 1 1918 1 1 1 1 1 1 2331 3039 1 1 1 1 3381 1 1 1 1 1 1 1 1 1 274.0234 *274.0408* 274.0408@0.8261817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16523 18265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0408 *274.0493* 274.0493@0.7727721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9208 8467 1 1 1 1 1 1 1 1 1 1 3297 3258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0493 *274.0804* 274.0804@2.875249 1 1 1 1 1 1 13349 12540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12773 1 1 6904 6687 8159 9147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3719 7794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0804 *274.118* 274.118@1.0861325 1 1 1 1 1 1 1 1 1 1 1 1 3958 3778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.118 *274.1264* 274.1264@1.9711862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1264 *274.1304* 274.1304@2.12345 1 1 1 1 1 1 1 1 1 1 1 4207 1 1 1 1 1 1 9011 9859 1 1 5932 6705 1 1 1 1 1 4647 1 1 5322 6875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 6523 6438 1 1 1 1 1 1 1 1 1 1 8777 7811 1 1 1 1 1 1 7301 6675 7842 8087 6330 5533 1 1 1 1 5751 6158 274.1304 *274.1318* 274.1318@2.1018822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 274.1318 *274.1508* C18 H23 Cl 3664 6301 7042 6587 3653 3955 7893 7581 7628 7271 5875 13975 6098 5568 7331 6578 6351 7271 9198 6885 1 4205 13340 9775 2454 2370 4732 6502 9736 11222 12085 12904 12405 12126 3707 4773 5782 4725 11913 9520 5493 5218 3757 3086 3799 7543 8207 7581 8387 9474 13741 12937 3175 3426 6491 8115 8774 11162 6160 6205 6498 6211 5101 5865 5439 7208 2917 4066 7061 6708 4019 3178 1 1 7614 7064 9431 7404 11569 10994 15455 13065 7344 7788 12872 11758 14402 16059 9144 9287 274.1508 *274.1517* 274.1517@1.2831768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1517 *274.1745* 274.1745@1.317184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21744 21420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1745 *274.1762* 274.1762@2.6682944 1 1 3326 3392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 1 1 1 2580 2331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3663 3437 1 1 1 1 1 1 1 1 1 1 1 1 4185 4565 2269 2086 7986 7807 1 1 1 1 1 1 274.1762 *274.8567* 274.8567@1.0145475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336412 342320 1 1 1 1 1 1 1 1 2142 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2681 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.8567 *274.9912* 274.9912@1.134541 1 1 1 1 1 1 1733 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.9912 *274.9982* 274.9982@3.0705886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6358 7414 1 1 1 1 1 1 1 1 1 1 274.9982 *275.0083* 275.0083@2.8671067 1 1 1 1 1 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.0083 *275.0086* 275.0086@1.8927925 5495 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6529 1 1 1 1 1 1 1 1 1 1 20499 1 1 1 1 1 1 4037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.0086 *275.0087* C13 H9 N O2 S2 1 1 1 1 15478 11791 30105 29762 1 1 22831 22191 16620 16900 1 1 1 1 15493 15509 1 1 1 1 1 1 1 1 5422 5626 1 1 4211 6968 1 1 1 4795 1 1 11964 13612 1 1 16870 17553 3795 1 6815 5736 1 1 15636 13881 1 1 21476 21175 1 1 8838 10568 1 1 11147 4224 25922 23655 1 1 7437 7958 1 1 1 1 1 1 8745 10493 27027 27320 1 1 21994 22045 1 1 1 1 275.0087 *275.0088* 275.0088@1.9141358 1 5843 1 1 1 1 7899 4844 1 1 23225 23257 1 1 1 1 1 1 9850 10787 1 1 6858 1 1 1 1 1 1 1 1 1 1 1 1 21145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10135 10086 1 1 1 1 1 1 9563 3815 5194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17585 17923 275.0088 *275.045* 275.045@0.8168925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6672 7355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47550 38375 1 1 1 1 1 1 1 1 1 1 275.045 *275.0942* 275.0942@0.9163031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.0942 *276.0243* 276.0243@0.72059834 1 1 1 1 1 4648 5755 4615 4112 7090 4271 4197 1 4211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3165 1 1 1 1 1 1 1 7417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0243 *276.0289* C10 H12 O7 S 1 1 1 1 1 1 22733 20968 3038 1 18939 18356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35096 34378 1 1 7158 9431 15976 17306 13701 12014 1 1 7577 8735 1 1 1 1 10761 13382 17117 16006 1 1 1 1 1 1 4617 1 7696 7486 23665 24091 1 1 37405 34434 8825 9688 1 1 1 1 1 1 1 1 1 1 1 21321 1 1 4417 4497 1 1 1 1 5063 6292 276.0289 *276.0307* 276.0307@0.8565757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0307 *276.0381* 276.0381@0.7257579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3943 3759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0381 *276.0999* 276.0999@2.0348566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6709 6731 1 1 1 1 3920 1 1 1 1 1 1 1 1 1 1 1 4081 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13559 15071 1 1 276.0999 *276.1289* 276.1289@1.1470268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3571 2980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1289 *276.1768* 276.1768@1.0849892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18354 1 1 1 1 1 1 1 1 1 1 276.1768 *276.2063* 276.2063@1.0508326 1 1 1 1 1 1 1 1 1 1 5300 5542 1 1 1 1 1 1 3542 3724 3694 4669 4178 4662 1 1 1 1 1 1 3139 3512 1 1 1 1 1 1 3339 3472 1 1 2632 2562 1 1 1 1 1 1 3367 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 3090 1 1 1 1 4655 4120 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 3192 2802 1 1 276.2063 *276.855* 276.855@1.0166265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1924 2011 1 1 1 1 1 1 1926 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4115 4642 1 1 1 1 2263 2527 1 1 1629 1 1 1 1 1 1943 1827 1 2041 1 1 1 1 1 1 1 1 8288 5307 1 1 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 1 2376 276.855 *276.9947* 276.9947@1.0134883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.9947 *277.0001* 277.0001@3.2303498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7479 7214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0001 *277.0069* 277.0069@0.81516206 43257 41387 1 1 1 1 79194 76372 1 1 1 1 9253 9249 1 1 1 1 1 1 1 1 1 1 1 1 5656 6300 1 1 5192 6155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69669 69220 1 1 5476 5210 1 1 1 1 1 1 11848 12137 1 1 4235 4259 1 1 146704 147113 1 1 1 1 1 1 1 1 1 1 1 1 44257 43269 4431 4615 1 1 128018 128046 1 1 277.0069 *277.0575* 2-Phthalimidoglutaric acid 1 1 3775 3925 3761 4110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4165 1 1 1 1 1 1 1 1 1 5238 5566 2585 2946 3694 3430 3576 3761 5602 5634 1 1 4717 4417 3825 3723 4421 4376 6306 6465 5083 5025 6262 6051 4662 5378 2712 2648 3677 3407 5898 6127 5187 5039 3164 1 1 1 3008 3326 1 1 3114 3362 1 1 1 1 5126 4403 5505 5574 4341 4096 5454 5280 4214 4524 3865 3773 277.0575 *277.0601* 277.0601@0.71287566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0601 *277.0832* C10 H16 Cl N3 O4 18227 20701 10132 10752 17629 17797 1 1 1 1 22005 19912 1 1 14107 9461 1 1 18622 20306 17704 16768 1 1 24556 22229 16712 16619 23047 23072 1 1 24436 24822 1 1 19818 20077 11394 12152 23586 19888 19950 22681 21400 22363 15838 16788 16258 16623 10106 7286 16433 16289 21500 21389 18340 18090 22997 22002 16116 17981 21414 20083 19404 18195 18093 18455 20289 19619 20596 22756 19362 17715 1 1 15412 15763 16843 16195 19488 17494 1 1 41329 38358 21225 21055 20033 18336 277.0832 *277.0834* 277.0834@2.6693788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20149 1 1 1 1 1 1 1 14240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6823 25908 25989 1 1 1 1 1 1 1 1 277.0834 *277.0835* 277.0835@2.6025023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0835 *277.0837* C11 H12 Cl N7 13552 13546 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 37021 18059 11287 12090 1 1 1 1 1 3073 9620 3308 1 1 3028 3865 1 1 15964 16393 1 22777 1 4037 1 1 1 1 1 1 1 1 1 2074 1 1 5182 5869 8781 7177 4953 6783 1 1 1 1 8180 8070 7914 8719 1 1 19732 18197 3366 4265 1 1 1 1 16840 12561 13525 10157 1 1 42109 41695 9899 9715 1 1 277.0837 *277.0922* Ser Asp Gly 8419 7436 8449 8685 9738 8916 5956 5579 7770 7892 9803 9296 7434 8251 11855 12187 8284 8587 16454 15989 13866 13842 10305 9991 11113 11263 17559 16514 14332 15428 11791 11519 14354 14196 14207 13535 17910 17858 15375 15346 15093 15157 18271 18600 16869 16659 16078 15893 19179 18855 15000 14677 15558 15644 19700 21262 20322 20903 23786 24212 22157 22396 13468 13287 16774 16575 19807 19516 17750 18346 24235 24037 17046 17546 13720 13854 18656 18818 22647 20539 25323 25724 23397 22368 22083 22851 17971 17618 20042 19021 277.0922 *277.9372* 277.9372@2.916828 1 1 1 1 1 1 1 1 1 1 1 1 1 5336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.9372 *277.9379* 277.9379@2.3044593 1 1 1 1 1 1 1 1 1 1 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.9379 *277.938* 277.938@2.0954604 1 1 1 1 1 1 1 1 1 1 1 1 6188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9566 1 1 1 1 1 1 1 1 1 6756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.938 *277.9382* 277.9382@2.4626527 1 1 1 1 1 1 1 1 1 1 1 1 12213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6673 1 1 1 1 1 1 1 1 1 277.9382 *278.0146* 278.0146@0.72811973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0146 *278.0233* C7 H16 Cl2 N2 O3 S 3197 3154 3301 3046 4045 4093 10938 10845 4160 6638 3709 3542 2296 2115 2625 1 1 1 4952 5345 5044 4889 1 1 1778 2024 2543 2759 2420 2375 5150 1 1 1 1 1 5236 1 4498 5056 3036 3175 1 1 2402 2288 5194 5057 2324 2208 5127 5399 2287 1 2867 2468 7155 7119 3591 3379 10053 10172 4359 4511 2800 3314 3478 3003 5830 4549 1 1 1 1 3262 3421 4790 5041 7999 12282 2885 3193 1796 1 3332 3114 1 1 3444 4007 278.0233 *278.0242* 278.0242@1.1590068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2421 2412 1 1 2074 1842 278.0242 *278.05* 278.05@0.75230706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.05 *278.0578* 278.0578@0.7135963 8656 8393 1 1 9434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19424 20400 1 1 1 19646 1 1 1 1 1 1 1 18189 1 1 1 1 1 1 1 1 6649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0578 *278.058* KARANJIN 1 1 12709 12682 2495 11978 1 1 9790 9177 7329 7747 5294 5199 1 1 1 1 1 1 14503 14384 1 1 1 1 6308 6911 1 1 15587 16355 9135 8193 11006 10066 12177 12578 18694 19462 1 1 16030 15712 11530 11236 13947 15240 1782 1901 19258 19067 22538 2396 16186 18156 7978 8738 10918 10969 18707 1819 15247 14071 8097 8384 5001 4648 9845 9895 1 6329 8444 8312 6719 7580 7206 6721 16053 16955 17746 16545 13810 13300 18565 19116 14493 14729 12931 13478 278.058 *278.0682* 278.0682@2.0592675 1 1 1 1 1 1 2765 3636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 278.0682 *278.0738* 278.0738@1.5411121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0738 *278.0755* 278.0755@1.5880029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4925 7750 1 1 6553 12285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0755 *278.0777* 278.0777@2.0807736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4372 1 1 1 1 278.0777 *278.078* 278.078@2.020541 4595 6779 1 1 1 1 2332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6618 5937 1 1 1 1 8197 7422 1 1 1 1 278.078 *278.0791* 278.0791@2.964737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0791 *278.0797* C7 H14 N6 O4 S - 2.8750944 88831 90586 62686 60216 86407 85114 1 1 1 1 92653 96244 1 1 75503 54442 1 12152 84634 88465 72749 71616 10740 2958 114313 108521 70310 74788 99023 99553 1 1 87197 101697 12444 14029 47121 87766 49044 47384 85633 88165 57620 102395 102463 102934 74902 85204 93335 34919 10808 25534 77463 9044 87087 101691 89699 84955 82213 100366 81701 81861 28538 88602 87280 85059 82357 83939 87702 89479 100404 95757 88368 87272 1 1 75284 78310 71180 70265 78951 77083 16883 10848 107055 43249 88584 88549 96904 98808 278.0797 *278.08* 278.08@2.8187575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2961 1 1 1 1 1 1 1 1 8884 1 18641 1 1 11653 11466 1 1 28535 1 1 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 1 10885 1 1 9582 20877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5385 1 1 78966 139354 1 1 1 1 278.08 *278.08* 278.08@2.3651543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.08 *278.0801* 278.0801@2.7571068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0801 *278.0806* C7 H14 N6 O4 S 62644 52367 1 1 1 1 1 1 1 1 6601 1 1 1 1 1 1 1 141178 83919 48673 51236 1 1 1 1 76800 89200 39715 25359 1 1 6526 16848 1 1 57239 67512 1 104544 15747 16933 40943 1 29882 27465 1 1 1 56417 42571 25857 1 78430 24093 22884 34535 35603 23501 30373 1 1 69414 7585 35923 34314 37086 37390 1 1 84183 73444 18932 18679 1 1 1 1 69090 84638 146137 135606 1 17262 190228 197204 44215 43620 1 1 278.0806 *278.0808* 278.0808@5.1699057 1 1 6644 6429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0808 *278.0864* 278.0864@2.920527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5356 1 1 1 1 1 1 1 278.0864 *278.0977* 278.0977@1.957 1 1 1 1 1 1 1 2822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0977 *278.1188* 278.1188@1.0235636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1188 *278.1242* 278.1242@1.0268188 11789 11244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1242 *278.1514* 278.1514@1.1236236 5018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5166 1 1 1 1 1 1 1 1 1 1 10049 1 3909 3919 1 4055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2299 1 1 1 1 1 1 1 6442 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1514 *278.1526* C16 H23 Cl N2 36123 35528 3892 4667 1 4019 1 5281 7836 8293 8863 7166 4859 4323 11554 12029 1 1 18212 20712 9005 8868 6665 3983 12755 7728 16524 16841 19036 17411 4834 8030 7866 7601 2861 8517 12773 11002 7348 8108 21586 21326 2364 2805 13929 14710 10602 9458 3086 2644 19423 18921 5265 3051 15735 15889 9353 11084 8581 12432 14693 13864 5605 5011 21196 24655 5403 7659 6807 7823 6782 7292 4755 4790 7387 8822 5746 5946 4780 7382 17125 18954 9101 5368 9049 9666 9869 8287 4402 4586 278.1526 *278.1562* 278.1562@1.1010755 1 1 1 1 1 1 1 1 1 1 1 3996 6322 1 1 1 3298 5608 1 1 1 1 3280 6131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1562 *278.1896* 278.1896@1.9838146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 1 4159 278.1896 *278.2193* 278.2193@1.0929296 1 1 1 1 1 1 1 1 1 1 1 1 14679 1 1 1 1 1 1 1 1 18714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4467 1 29252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30382 1 1 1 1 1 1 1 1 1 278.2193 *278.2233* 9,12,14-octadecatrienoic acid 81041 86273 32393 33059 82367 78090 314869 338314 57721 54528 60986 61315 62042 71596 53955 18588 31625 64466 97445 91198 283076 99763 111364 52449 96907 90108 84425 87762 45380 46063 97014 98479 218045 65248 46983 54279 157127 156644 190560 178475 82946 90167 71856 69281 158518 168879 58794 142465 76478 81457 217188 210057 34019 34506 86912 86570 116196 112625 116135 114350 93968 100796 19540 21492 104985 102344 76254 77183 95407 90953 48003 77127 55821 53683 115241 118433 117749 113759 80283 44288 52181 97384 57861 57626 249744 237961 112032 181967 40910 43160 278.2233 *278.8528* 278.8528@1.0147114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.8528 *278.8904* 278.8904@0.85414124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4159 1 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4404 4410 1 1 1 1 4984 6683 1 1 1 1 1 1 7954 8990 1 1 5265 5314 1 3232 1 1 1 1 278.8904 *278.9133* 278.9133@0.7129295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 3200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3819 5491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.9133 *278.9819* 278.9819@3.0411599 1 1 8671 8090 7944 7677 17054 6388 1 1 15538 15774 13984 12923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15439 16592 1 1 7388 7172 6099 1 1 1 1 1 11755 11464 1 1 1 1 1 1 11228 7916 1 1 1 1 1 1 1 1 1 1 7561 8793 1 1 1 1 14285 9449 1 1 1 1 1 1 1 1 1 1 1 1 15290 15542 1 1 1 1 1 1 1 1 278.9819 *278.9833* 278.9833@3.045224 1 1 1 1 1 1 1 7893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.9833 *279.0708* C9 H9 N7 O4 12038 11476 7235 7281 4188 4229 25846 24138 8089 8345 10399 10096 4750 4661 1 1 1 1 11037 10716 6146 5694 6563 7791 1 1 7058 6193 5826 5231 5322 4856 8875 7948 5773 5406 6711 6890 4575 4658 6948 7817 4649 5012 6078 6285 6549 6520 5346 5648 8097 8108 3859 4114 6282 6303 11082 11056 7102 7729 5056 5009 6921 7623 4629 4771 7067 7232 5146 5227 10216 6787 5220 4941 1 1 4514 4141 8937 9654 8754 8102 8232 7485 24621 25194 9215 9250 10677 10788 279.0708 *279.0711* 279.0711@2.4456713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.0711 *279.0833* 279.0833@2.6221473 1 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12591 7021 1 1 1 1 1 1 1 1 279.0833 *279.0833* 279.0833@2.7915132 1 2188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 9713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.0833 *279.0986* 279.0986@3.2224631 1 1 1 1 3693 1 1 1 1 1 1 1 1 1 5542 5377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19653 19258 1 1 1 1 1 1 1 1 1 1 1 1 10256 10114 1 3807 1 1 6781 4924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.0986 *279.1582* 279.1582@1.207834 4488 3919 1 1 1 1 1 1 1 1 1 1 1477 1 1 1 1 1 1 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 5076 4369 4059 279.1582 *279.9241* 279.9241@0.7955157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4731 279.9241 *279.9245* 279.9245@0.7723193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5256 5329 1 1 5348 5757 1 1 5504 5409 1 1 1 1 1 1 6070 6469 7615 7184 1 1 1 1 1 1 1 1 6538 7100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4457 1 1 1 1 1 1 1 1 4604 1 1 1 1 4742 1 4977 5491 7219 2313 279.9245 *279.9553* 279.9553@0.84421116 1 1 1 1 1 1 6262 6746 1 1 1 1 2842 2693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4189 3538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6754 6460 1 1 279.9553 *279.9876* C13 H4 N4 S2 2769 5060 3047 5122 5510 6527 7392 4403 6613 4475 8064 8847 3110 2753 4650 5960 6968 7506 1 1 4888 4488 4119 5609 6274 6266 8462 6202 8613 11163 6387 5535 2486 4160 3874 4162 12246 10904 6781 7219 4505 7315 12780 12731 2809 7279 8042 8090 2607 6355 4234 3021 6930 6524 1889 7066 3338 6485 6207 5436 6356 6807 5976 2159 4812 3979 4936 1 6118 5155 4169 4766 7893 9920 2642 2960 6676 7069 5207 5460 3594 3495 4431 2194 1 4964 5558 5345 7616 4412 279.9876 *279.9881* C13 H4 N4 S2 - 2.7439277 4851 2415 3145 1 1 1 1 1 1 1 2446 2703 4960 1 1 1 1 1 1 1 2849 2638 5128 1 7613 7824 1 2157 1 1 2821 2065 5164 3780 1 2767 6124 1 1 1 2294 1 2646 7854 4426 1 2370 3138 1 1 8400 2795 1 1 7558 1887 3421 6735 1 1 9135 2465 7244 5441 2295 3217 5263 1 1 1 3722 5403 1 1 1 1 2533 1993 1 1 1 1 5131 3913 1 1 7233 1 1 2350 279.9881 *279.9883* 279.9883@2.6484706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8312 1 1 1 1 1 1 1 1 1 8199 1 1 1 1 1 1 1 1 5420 1 1 1 1 1 1 1 1 1 1 1 1 7107 1 1 1 1 1 1 279.9883 *280.0178* 280.0178@0.71099526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0178 *280.0213* 280.0213@0.7136951 1 1 1 1 1 1 1 1 1 1 1 1 3489 3798 1 1 1 1 1 1 5725 5335 1 1 1 1 1 1 1 1 4601 4951 1 16742 10876 1 1 1 2752 3046 1 1 1 1 1 1 1 1 15624 15318 4188 4255 1 1 23727 23209 1 1 1 1 1 1 9809 11257 1 1 15629 14078 1 1 5570 1 1 1 1 1 1 2964 1 1 1 5449 3034 1 1 1 1 1 10499 10940 280.0213 *280.037* 280.037@2.0392349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4946 3561 1 1 1 1 1 1 1 1 1 3423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3316 1 1 1 1 1 1 1 1 1 1 1 3373 5335 1 1 1 1 1 1 1 1 5566 1 1 1 1 1 1 1 1 1 1 1 280.037 *280.0437* 280.0437@2.037899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3129 1 3851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4749 1 1 1 1 2413 1 1 4987 5045 1 1 1 1 280.0437 *280.0448* 280.0448@1.7093636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8881 1 1 1 1 1 1 1 1 1 1 1 1 280.0448 *280.0453* C9 H13 Cl N2 O6 97479 100518 95453 98214 99034 103390 105410 107210 82093 86286 104118 103345 122010 125059 121171 123542 103458 104558 146905 149356 160260 165165 119072 120741 134473 135737 112357 113991 100616 103007 171047 175663 130723 130419 113613 112184 162201 159724 154265 156680 117056 112925 191982 196018 142158 142261 119843 115935 117896 115385 146018 146210 163717 164349 167523 173416 138747 145215 161623 163511 96720 94032 112942 113337 149618 151846 153357 151568 144146 143036 214881 210413 153797 151228 163272 165093 210935 200823 148076 149673 201292 198485 243383 250235 221495 223595 215259 215404 132051 129255 280.0453 *280.0467* 280.0467@2.1176248 1 1 1 1 1 1 11610 12899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5712 1 1 1 4142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6041 1 1 1 1 1 1 1 1 1 7514 12212 8710 1 1 6256 4324 8878 7715 1 1 1 1 280.0467 *280.0497* 280.0497@2.1511111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0497 *280.0584* 280.0584@2.002842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3278 1 1 1 7646 1 1 280.0584 *280.0599* 280.0599@1.9865175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10856 3333 1 1 280.0599 *280.0655* 280.0655@5.8414855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5023 5665 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0655 *280.0749* 280.0749@2.5413933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0749 *280.0759* 280.0759@2.6895146 1 1 1 1 1 1 1 1 1 1 7710 8264 1 1 1 1 1 1 7249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 4920 5125 1 1 1 1 1 1 6450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6171 7192 1 1 8327 1 1 1 1 1 280.0759 *280.0935* 280.0935@3.351601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0935 *280.0955* 280.0955@3.2205107 1 1 1 1 18964 17602 1 1 1 1 7267 7390 1 1 24511 23561 1 1 8000 8256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13834 14342 1 1 1 1 92993 91766 1 1 1 1 1 1 1 1 1 1 1 1 45764 44575 16683 16579 1 1 21345 22150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0955 *280.1053* 280.1053@1.0148358 3286 3384 1 1 1 1 1 1 1 1 1 1 2677 3308 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1053 *280.1294* 280.1294@1.979797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7653 6539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1294 *280.1299* 280.1299@4.2866545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15572 15514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1299 *280.1303* 280.1303@1.3537185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39277 20207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1303 *280.1306* 280.1306@1.2825841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1306 *280.1313* 280.1313@1.2641318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138968 1265289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1313 *280.1318* 280.1318@1.2020736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340149 2678992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1318 *280.1325* 280.1325@1.1410214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9959947 7164806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1325 *280.1326* 280.1326@0.8536039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1326 *280.1554* 280.1554@1.1385922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4627 1 1 1 1 1 1 1 1 1 1 5034 4619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 280.1554 *280.1655* C12 H20 N6 O2 6520 5844 3175 1 2412 1 6431 6117 5745 5095 6516 5224 4654 5071 4334 3711 1 5316 4863 7336 6670 5811 8377 6254 4565 5275 3268 4197 6184 7256 1 7829 1 1 4508 1 1 1 4570 6125 6184 7372 2189 1 7075 6063 4043 3383 1 1 1 1 3863 4475 5982 4424 7494 9285 5129 5850 6806 6064 5118 4646 1 1 6160 6453 6779 6162 5686 5640 4212 4368 7383 6928 4359 4813 6228 1 8551 7863 3990 6049 7368 5495 6430 6003 4622 7010 280.1655 *280.168* 280.168@1.0499644 1 9105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1 1 1 1 1 1 1 1 1 1 1 1 1 6582 7934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7335 1 13918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.168 *280.1695* 280.1695@0.81533307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296370 298828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1695 *280.1984* 280.1984@5.7493134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 2000 1 1 2417 2097 1 1 1 1 1738 1 1441 1 3230 3000 1 1 1486 1 1800 1 2971 3281 2727 2116 3578 3647 2051 2195 1 1 2006 2207 280.1984 *280.2376* 280.2376@1.9786211 1 1 1 1 1 1 4324 3611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 1 4344 4225 1 1 1 1 3588 4101 2319 2395 1678 1 1 1 1731 1 1 1 1 1 1 1 1 1 1 1 1 1433 3479 2692 1592 1 2767 2464 4322 5157 1 1 2364 2737 280.2376 *280.2386* C14 H28 N6 3084 3166 1 6631 1 1 1 1 1 1 5062 5206 5016 6422 6426 1 3549 4308 1 6809 20863 11983 1 1 1 1 1 1 1 1 1 4570 24807 1 6023 5880 1 1 1 1 1 4008 1 2564 1 7330 7405 1 6675 1 1 1 1 1 6720 6676 9193 8160 19585 1 1 34616 3875 1 1 1 6799 4589 1 5888 1 12346 1 1 16430 1 1 4836 1 7260 1 4323 6968 5109 1 9583 1 1 5314 1 280.2386 *280.2396* 13E,17-octadecadienoic acid 286703 279002 196722 189081 367570 376540 256359 259794 103246 179288 225107 228259 393677 405520 183972 189492 221373 333623 401953 393079 503366 602734 321190 333329 245690 248963 229084 225709 495791 507614 476832 474674 405205 426771 175262 171960 716934 727927 754696 760552 252565 251055 385419 388999 419247 409518 378437 382210 231520 242326 622599 606277 309567 313753 247211 252864 349749 346557 563863 592391 194552 192531 64730 70712 236099 236421 277018 281482 341667 207422 368926 356695 335585 343581 457063 574203 303016 297660 500328 498238 379191 435378 201620 202466 588949 575767 1222230 1219539 166531 171059 280.2396 *280.7961* 280.7961@1.1836389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.7961 *280.8698* 280.8698@1.1634614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.8698 *280.8772* 280.8772@1.0457373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7893 1 1 1 280.8772 *280.8862* 280.8862@1.1586186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.8862 *280.8876* 280.8876@0.8563533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4545 5260 1 1 1 1 1 1 1 1 1 1 280.8876 *280.9969* 280.9969@1.1428231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.9969 *281.0344* 281.0344@1.4090673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10264 11022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6149 7170 1 1 1 1 281.0344 *281.0843* 281.0843@1.1309328 1 1 2619 13873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.0843 *281.1229* 281.1229@1.1923275 1 1 1 1 1 1 1 1 2854 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 3689 1 1 1 1 1 1 1 1 1 1 1 1 1922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2363 1 1 1 1 1 1 1 1 281.1229 *281.1294* 281.1294@1.1910824 1 1 1 1 1 1 1 1 1 1 1 1 1936 2533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1294 *281.1295* 281.1295@0.76453525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4571 281.1295 *281.1307* 281.1307@0.8406457 1 1 1 1 1 1 1 1 1 2666 1 1 1 1 1 1 1 1 1 1 1 2357 3425 4438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 9503 5731 1 1 1 1 1 1 6532 1 4640 4584 1 1 1 1 1 1 1 1 4188 4180 1 1 1 1 1 4410 1 1 1 1 1 1 2977 1 1 1 5136 2343 281.1307 *281.2408* 281.2408@1.1071521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.2408 *281.275* 281.275@1.2346805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.275 *281.7961* 281.7961@1.1646235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.7961 *281.9151* C7 H6 O4 S4 9166 9202 7520 7596 8576 9267 8751 8815 8254 8207 9789 8939 8885 8347 8918 8801 9464 8705 9950 9545 8665 9004 8539 8853 10907 10121 9254 9098 8603 8764 8982 8702 9551 9042 9684 9719 8994 8251 9224 9025 9175 9278 7747 8072 8359 9008 8262 8295 8105 8131 8718 8817 10103 9249 7990 8439 9193 8837 8814 9246 9972 10013 9682 10080 9108 9586 9963 9553 8688 8519 11402 11326 8295 8716 9106 9689 8609 8720 9659 10597 9995 9468 9759 10387 9801 9421 10132 11695 8982 8570 281.9151 *281.9834* 281.9834@0.97706497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8008 10333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.9834 *281.9844* 281.9844@1.0123854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.9844 *281.9973* 281.9973@1.1556162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.9973 *282.0079* 282.0079@1.1275775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13496 5914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.0079 *282.0239* 282.0239@1.9667375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1782 1 1 1 1 1 1 1 282.0239 *282.0598* 282.0598@1.7392712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1 1 1 1 2068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.0598 *282.06* C13 H15 Cl N2 O S 5842 4076 5761 5588 5962 5458 25155 26701 5391 5278 6082 7712 4419 4645 4739 4072 4995 4586 9094 10833 10412 11253 6345 4663 3976 1 7040 5955 4514 4605 12823 12492 15356 15520 10785 10372 8725 8767 5874 6285 8531 6906 5670 5618 9466 6899 5071 4561 8339 5897 12198 12102 5735 5620 6058 7891 12154 12799 1 4552 4936 5785 6461 5847 6998 6489 12306 12587 4962 5085 7076 6840 5904 5385 5323 5666 7252 6910 31099 29832 13795 14480 10294 10709 15521 16464 7708 9983 15432 15678 282.06 *282.0965* 1-Methylinosine 1 1 1 1 1 1 6542 1 4783 4968 3153 5643 1 5225 5515 5986 1 1 1 1 1 1 1 3054 1 1 1 1 1 1 1 1 1 1 7812 8019 7572 7307 1 1 1 1 5677 6115 1 4879 6003 6593 1 1 6968 7186 1 4608 1 1 1 1 9211 9542 1 1 1 1 1 1 5126 1 1 1 7997 8069 1 1 1 3747 1 1 11531 12099 5009 6447 8471 9089 4221 3260 1 1 10174 10320 HMDB02721 282.0965 *282.1178* 282.1178@5.8341436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1343 1 1 1824 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3933 3776 1936 2146 1 1 1871 1931 2346 2306 1753 1968 2205 2368 1 1 1 1 1 1 1 1484 2534 2335 1 1 1 1560 1 1 1 1316 282.1178 *282.1217* 282.1217@1.6494551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3880 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1217 *282.126* 282.126@0.76067716 1 1 12142 12365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6774 7072 1 1 3706 1 1 1 1 1 1 1 1 1 13620 12365 6640 6901 1 1 1 1 1 1 1 1 1 1 16934 16275 5202 5853 1 1 1 1 1 1 36026 36324 2968 1 1 1 1 1 1 1 1 1 8525 7761 1 1 1 1 1 1 1 1 7460 7244 15118 14639 1 1 1 1 23179 23381 282.126 *282.1289* 282.1289@1.9767036 2694 1 1 1 3117 2726 4553 6132 4265 4726 1 1 1 1 1 1 1 1 1 1 1 1 1761 1 1 1 1 1 1 1 1921 1 1 1 1 1 1 1 3142 4292 1 1 1 1 1 2027 1 1 3275 1 2977 3422 1 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3371 6061 1 1 7802 6789 1 1 4248 3310 282.1289 *282.1302* C8 H14 N10 O2 4644 4948 1 1 4706 4130 4657 4283 6228 5909 1 1 1 1 4481 4850 1 1 3603 3205 1 1 4392 4835 1673 1 1 1 1 1 3783 3578 3864 3403 2039 1 1 1 6393 6725 1 1 1 1 2373 2501 1 1 4335 3984 2733 2906 1 1 1 1 1 1 1 1 2779 1 2244 1 1 1 1 1 1 1 3786 4037 1 1 3484 3230 2335 2078 1 1 3690 3778 1 1 13751 14023 1 1 3691 4041 282.1302 *282.1472* 282.1472@0.8888992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5599 5117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1472 *282.1518* C12 H27 Cl N2 O S 1 1 1 1 10694 7788 7139 3475 2406 1 1 89902 5866 1 1 1 2278 3113 1 1 1 2634 1 1 1 1 5231 1 4352 1 1 3500 75197 6831 1 1 40072 42734 10585 10778 42643 48112 1 1 1 1 20015 20154 3217 1794 34849 42427 1 5168 1 1 4219 7147 1 1 1 1 1 1 7904 7365 4232 5077 3526 1 8767 1 1 1 8608 8981 1 3769 5115 6228 58672 54365 17924 1 13777 10331 26717 4534 1 1 282.1518 *282.1594* 282.1594@1.0584937 1 42340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30577 28395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15988 1 1 1 1 1 1 282.1594 *282.1617* 282.1617@1.0634815 30790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12545 12524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12126 8166 1 1 1 1 1 1 1 1 1 1 1 10440 282.1617 *282.1766* 282.1766@1.0614378 1 1 10305 1 1 1 7116 7757 9177 9277 9703 9228 12424 19899 1 1 5242 18885 1 1 1 1 21723 44791 1 1 26345 25522 1 1 1 1 1 1 10849 11772 14000 1 1 1 1 1 4584 5592 4895 4926 1 1 1 1 1 1 6622 1 1 1 1 1 1 1 18607 19678 1 10292 42713 1 5942 1 1 8063 1 1 10481 9665 1 1 1 1 1 1 14347 14556 1 1 1 1 1 1 6473 1 282.1766 *282.1815* 282.1815@1.0491698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26248 25498 1 1 1 1 25367 25105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1815 *282.1819* C12 H22 N6 O2 15212 15707 11983 12795 12771 12893 17833 16837 16242 15988 16325 15697 19985 21410 20882 21261 18643 20178 19442 20608 13703 12679 14656 14076 15790 14853 14456 14777 19329 20267 16060 17570 25849 25421 11514 12017 1 14864 14440 14364 17192 17145 8592 8739 21112 19919 16182 14681 10954 10826 26579 28014 14502 13139 13472 12698 23788 25010 15089 14558 19574 19472 13770 12439 1 38137 15296 15251 17560 17787 24845 25570 10561 11172 16876 15801 12587 13596 14724 15186 1 1 14175 15919 19488 19010 15218 15559 15678 17354 282.1819 *282.2434* 282.2434@1.1506032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2434 *282.2537* 5-octadecylenic acid - 1.9778987 1518 1 1 1594 1829 1644 6179 9191 1793 1599 1790 1766 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1647 1 1505 1747 1 1 1 1 1922 2118 1 1 1 1652 2905 3190 2146 1567 1761 1 6087 6273 1 1 1843 1803 4467 5513 3108 4019 2418 2467 1 1446 3060 2076 1 1 1 2905 1 1 1 1 1 1 2215 2072 5107 4742 2435 2378 3728 3780 5640 6586 1 1 3817 4099 282.2537 *282.254* 282.254@1.1157683 6896 6919 1 1 1 7300 1 1 1 1 23932 1 1 1 1 1 1 1 1 1 6185 5943 5261 1 1 1 1 1 1 1 1 1 1 2718 1 1 7591 1 1 1 1 1 3909 1 1 1 6631 8002 1 1 1 1 1 1 24824 1 9296 15669 4884 1 1 1 1 1 1 1 25804 1 1 1 9453 11875 1 1 1 1 1 7912 1 8888 1 1 1 3920 6336 26977 1 1 1 1 282.254 *282.2547* 282.2547@1.1280999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13538 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2547 *282.2552* 5-octadecylenic acid 257873 254823 239714 245418 426071 435821 320261 318675 121199 123439 237944 264134 315867 329797 248464 244984 178303 179450 467912 468870 551087 561352 246950 258524 219083 216310 182892 180409 378842 442046 740910 745192 393693 404316 128119 127448 390657 401949 918684 878571 195850 195264 412290 422966 457474 455786 386160 380368 132791 134651 765851 750052 280923 293470 166113 194261 371607 358661 418145 409634 83264 83575 45592 46851 239465 241728 192653 209968 228248 225507 366060 362284 236359 237801 325034 328636 300350 289638 592423 604123 322706 319740 195100 187064 395656 378903 1391163 1384643 114114 115404 282.2552 *282.3339* 282.3339@1.1444422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.3339 *282.7945* 282.7945@1.0442542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4103 1 1 1 282.7945 *282.8006* 282.8006@1.1554534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.8006 *282.8615* 282.8615@1.0422227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.8615 *282.9228* 282.9228@0.9529971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4109 3353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.9228 *282.963* 282.963@1.5179548 1 1 1 1 5629 1312 5055 4054 6505 6398 1 3726 6155 4224 1 4588 1 1 1 1 4083 2461 1 4549 1 4032 4642 6091 2998 1 1 1 1 1 1 3744 1 1 1 1 1 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.963 *282.9817* 282.9817@1.1404382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.9817 *282.986* 282.986@2.5796487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7264 6277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5839 6241 3057 3285 1 1 2924 1 1 1 1 1 282.986 *282.9913* 282.9913@1.1426057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.9913 *283.0126* 283.0126@1.1378107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0126 *283.0351* 283.0351@2.6226592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3460 1 1 1 1 4623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3635 1 1 1 1 1 1 1 1 283.0351 *283.0399* 283.0399@2.3590536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7682 1 1 1 1 14761 1 1 1 1 1 1 5379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0399 *283.0413* C10 H16 Cl3 N3 5858 4943 1 1 1 5028 1 4003 4621 6370 1 1 6490 6943 8593 7273 4143 3815 2468 1 1 4110 4055 1 1 3963 6099 5213 3378 5035 1 1 4596 1 1 1 5445 4191 1 1 4672 5594 4119 7438 1 1 5442 1 1 1 4474 1 1 1 1 6117 1 5764 4983 5544 1 1 1 6615 4507 4294 3564 5007 1 3179 5202 5708 1 1 1 1 1 1 1 3825 1 1 5807 4495 5571 1 3800 5585 1 1 283.0413 *283.0413* 283.0413@2.1040726 1 1 1 1 1 1 5814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0413 *283.0777* 283.0777@2.470451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3938 4029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3182 1 1 1 1 1 1 1 4348 1 1 4057 3835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0777 *283.0818* 283.0818@3.6611636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4412 1 1 1 1 283.0818 *283.0865* 283.0865@2.4675694 1 1 1 1 1 1 1 1 1 3759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0865 *283.1116* C7 H17 N5 O7 5189 6136 5175 5195 6687 6377 4992 5095 5311 5263 7174 6990 5220 5497 7779 7557 7294 6967 11039 12073 10173 10589 8451 7641 9227 9412 10887 11410 10473 11700 9431 9463 12022 12511 10203 10345 12278 12339 13114 12830 13513 12982 11624 11573 12674 12496 11518 11099 13023 12442 12312 12814 12842 12896 13400 13736 13480 13426 12267 12250 10566 11880 13877 12956 14238 13329 15194 14424 15684 14814 16870 16305 13956 13960 13185 13261 14479 13449 14806 14823 16708 15711 12451 12022 16648 17435 14766 14806 12438 11836 283.1116 *283.1608* C15 H25 N O2 S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4742 5417 1 1 1 1 2131 1912 3092 2931 1986 2256 1 1 3403 3360 2483 2531 2413 2606 4189 4671 3507 3294 2133 2558 5309 4954 3934 3531 2324 2325 2502 2402 2640 2335 3231 2700 6617 7151 4379 4850 5076 4918 4284 5167 3767 3841 5754 5855 4586 4432 9089 9369 4517 5071 3384 3992 4918 4723 9947 10599 10463 9297 5734 6012 7105 7374 4186 4317 6703 6498 283.1608 *283.2571* 283.2571@1.0970752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 5359 1 1 1 1 1 1 1 1 4597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.2571 *283.868* 283.868@1.1404382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.868 *283.997* 283.997@0.9860663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10005 9699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3415 2807 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 6104 6695 3939 4086 1 1 1 1 283.997 *283.9981* 283.9981@1.294299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.9981 *283.9986* 283.9986@1.0859022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41690 38711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3282 1 1 1 1 1 1 1 1 1 1 1 1 8465 9239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6098 1 6163 1 1 1 1 283.9986 *283.9993* 283.9993@1.1489887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 9423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12576 12015 1 1 1 1 1 1 1 1 1 1 1 1 1 4357 1 1 1 1 6073 1 1 1 1 1 283.9993 *284.0048* 284.0048@1.1257813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0048 *284.0308* 284.0308@1.4571807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31860 28396 1 1 284.0308 *284.0309* 284.0309@1.5719682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 1 1 284.0309 *284.0313* 284.0313@1.6496733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33430 37678 1 1 284.0313 *284.0338* Rhein 1 1 1 1 11113 11169 8847 8815 8536 8298 10241 10286 4188 4365 1 1 1 1 35258 35837 1 1 5248 7485 1 1 1 1 3935 5292 1 1 1 1 6706 5962 1 1 3148 1 18265 15353 1 1 1 1 4743 8312 1 1 1 1 1 1 1 1 1 1 4478 3228 3507 3551 1 1 12314 12425 8796 8425 1 1 8475 9489 12723 12666 3070 3178 1 1 1 1 1 1 1 1 13043 12005 1 1 4682 4321 C10401 284.0338 *284.0365* C13 H16 O S3 11561 25182 12026 7340 11420 14737 22324 22263 5862 26172 8651 7195 22622 24062 9350 8723 24023 20070 7532 15637 10559 10149 17259 19794 19651 10343 9968 13893 17236 13045 16285 12515 15818 6615 20031 9954 16911 10061 12617 12509 14019 17814 13796 25885 14179 2002 9086 15003 5704 13353 22116 18518 22098 21889 7688 9840 10692 13039 22676 12646 10871 8705 172474 164297 5875 5619 24200 13754 13888 16604 8688 16166 10551 11514 17539 19238 10460 8049 18409 17562 8330 15038 23966 26776 3528 14276 21035 8053 10790 13005 284.0365 *284.0365* 284.0365@2.4121993 1 1 1 1 5647 1 1 1 1 1 18900 1 1 1 1 1 1 1 1 1 1 13742 1 1 1 1 1 1 1 1 1 1 1 6303 1 8009 1 1 1 1 1 1 1 1 1 11486 1 1 1 1 1 1 1 1 1 1 1 1 1 5998 1 9480 1 1 1 4572 13299 1 1 1 1 1 1 1 1 1 1 5172 1 1 1 1 1 1 1 1 1 1 1 1 284.0365 *284.0366* C13 H8 N4 O2 S 25319 1 19536 17927 15466 18209 1 2778 22322 1 5262 24871 1 1 26645 24200 9766 1 15533 14356 15480 4090 1793 1 1 26372 15371 16472 1 19502 6279 1 13460 13173 12530 12698 5770 17598 14523 15593 13876 15921 15965 16136 1 13245 17225 1 14797 14454 1 1 11100 1 22187 14372 20296 23506 12466 13365 1 11498 3618 6459 14055 12360 3211 14893 1 12909 16096 9772 14275 15139 1 1 16418 15985 1 6029 13797 2487 1 1 13799 1 17649 17007 16549 14568 284.0366 *284.0366* 284.0366@2.6997235 1 1 1 5164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 284.0366 *284.0367* C13 H16 O S3 - 2.835562 1 4510 2949 3208 3767 6311 8498 3827 1 3622 7115 1 1 1 11579 10555 1 1 9838 9878 1 4744 1 1 9781 11291 1 1 1 6300 2037 1 1 1 4101 1 1 5822 1 1 4519 4164 7574 7213 1 1 6032 1 1 1 1 1 1 8295 1 4607 4309 1 6447 10479 1 3784 3484 1 5567 4835 2064 4570 8891 6596 11282 1 6092 1 1 4589 5481 1 1 1 7361 6238 1 7725 1 1 8489 8536 4465 1 284.0367 *284.0379* 284.0379@2.1024046 1 6119 1 1 1 3019 13353 21812 1 1 1 1 8951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8512 14576 7958 10156 1 1 1 1 2951 1 1 1 1 1 1 1 5464 5431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9269 11472 1 1 1 1 12483 9979 1 1 1 1 17608 16090 1 1 1 1 284.0379 *284.0389* 284.0389@2.064375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0389 *284.0397* 284.0397@0.72419935 1 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0397 *284.0438* 284.0438@2.905802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 3187 1 1 1 284.0438 *284.0786* 284.0786@2.8511102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3767 19106 20576 1 1 1 1 284.0786 *284.0787* 284.0787@2.7155643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56136 51136 1 1 1 1 284.0787 *284.0858* 284.0858@2.9285097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3618 1 1 1 1 1 1 1 284.0858 *284.0883* 284.0883@4.2798166 1 1 1 1 1 1 8921 7599 5157 5555 1 1 8975 9197 6762 6518 1 1 5155 5084 4869 4763 1 1 13148 13764 11393 11047 1 1 1 1 9983 9950 1 1 4969 5179 1 1 1 1 5437 4834 10122 14556 1 1 1 1 10415 10253 1 1 1 1 6208 6113 1 1 1 1 1 1 17586 17969 13609 13223 1 1 8273 7332 1 1 1 1 6332 6309 1 1 4255 1 1 1 1 1 1 1 12119 11601 284.0883 *284.0894* 284.0894@4.319205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0894 *284.1075* 284.1075@1.2650023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1075 *284.1096* 284.1096@2.8550549 1 1 1 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 284.1096 *284.1102* 284.1102@2.819335 1 1 1 1 1 1 1 1 1 1 5526 5986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20898 11424 1 1 7532 8649 1 4871 6361 6970 1 1 1 1 1 1 1 1 10242 11169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16794 14996 1 1 1 1 1 1 1 1 1 1 3996 4043 284.1102 *284.1163* C9 H24 N4 S3 9640 12884 16180 16892 6438 3191 5007 4681 6726 17122 11016 11123 8469 8582 5573 4280 13264 11851 11644 12866 8971 9631 14279 14526 3227 11001 18598 17319 10431 21396 7507 8038 21375 24102 6931 5701 7486 7242 8373 7901 13402 12521 14807 6742 9093 9620 6351 7109 8420 6932 6504 5554 8312 8541 5869 7111 7665 7785 10977 11494 4736 4956 3582 3558 6095 5525 5637 6653 5543 5469 16034 14949 8870 7357 12065 12466 7728 8188 9843 8212 14411 14106 10092 10466 9783 8842 7129 7821 11923 11710 284.1163 *284.1174* 284.1174@1.1951218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3949 1 1 1 1 1 3085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1174 *284.1178* C16 H16 N2 O3 18636 11472 24203 23885 12969 10464 1 1 13390 3249 18686 18729 14886 14157 1 6755 9358 1 23909 19550 13591 13695 27479 28454 1 1 8833 10227 1 1 10385 11551 29872 1 11089 12220 1 1 1 1 1 1 1 1 16002 16309 1 11237 16197 16916 1 1 11043 10247 10208 10269 14313 14564 20112 18719 10677 10575 1 1 1 1 8869 12796 11335 11316 23993 26070 9945 13519 18524 18412 16172 14326 18378 20992 24830 25224 19354 20743 1 1 5665 6427 19604 19711 284.1178 *284.1186* 284.1186@1.2271162 1 4413 1 1 1 1 1 2864 1 1 1 1 1 1 10618 1 1 8975 1 1 1 1 1 1 8582 1 1 1 20381 1 1 1 1 1 1 1 1 1 11696 1 1 1 1 9562 1 1 12104 1 1 1 13533 1 1 1 1 1 2543 1 1 1 1 1 1 2644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21818 1 5883 7192 6375 1 284.1186 *284.1208* 284.1208@1.1488454 1 1 1 1 1 1 1 5567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10375 1 1 1 1 1 1 11412 11257 1 11052 7367 6179 1 1 1 1 1 1 1 1 1 12456 1 1 1 1 1 1 1 1 1 1 4290 1 10422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10240 15385 1 4109 1 1 284.1208 *284.1242* C18 H20 O S 9003 6639 1 1 1 1 39010 37799 1 1 7680 8291 1 1 1 6138 8973 7514 14132 12416 1 1 10293 9894 1 4510 1 1 1 6568 7231 1 14569 14919 1 1 5836 1 1 1 11918 8462 1 1 1 1 1 6862 1 6602 6338 5142 1 1 1 1 11484 15706 6674 7346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6611 1 1 1 19259 18990 12184 9594 7301 8999 13271 33216 4888 1 3465 8512 284.1242 *284.1505* 284.1505@1.0493447 1 1 1 1 1 1 1 1 1 1 1 21970 6546 3965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1505 *284.1545* 284.1545@2.8996074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1545 *284.1592* 284.1592@1.071082 17133 1 1 1 1 1 1 1 1 1 1 1 1 1 8194 17739 1 1 8894 9189 1 1 1 1 4496 3737 1 1 14717 13779 1 1 1 1 1 1 1 1 1 1 8592 1 1 1 1 1 1 1 1 1 11144 1 1 1 1 1 1 1 1 1 1 1 1 1 4628 5305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1592 *284.1593* 284.1593@2.5464122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1593 *284.1633* 284.1633@1.2831521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4772 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1633 *284.1696* C9 H24 N4 O6 7986 8899 3844 4485 3221 3059 5587 5307 9483 9000 5998 6358 3415 4098 1947 6635 2807 2624 12802 12331 6014 6637 4320 4497 12705 13837 9135 8994 11065 11174 4452 4783 1761 8159 7258 7503 13810 14089 6126 5892 2357 8397 17152 17806 9872 9936 13918 12924 11155 11449 3230 8981 10545 10424 4414 11470 19886 19605 3531 15361 26296 26117 5556 5999 16268 16805 17694 19309 14597 14158 23388 22704 11947 3430 14638 14763 24232 24580 21101 21860 17364 17504 28927 29518 15710 4425 8314 2382 2645 13276 284.1696 *284.1698* C10 H20 N8 O2 1 1886 1 1 1 1 1 1 1691 1830 1 1 1 1 7035 1874 1 1 2694 2909 1 1 1 1 5334 5210 2101 2124 3560 3630 1778 1779 8353 1924 1774 1963 4169 4689 1 1 8499 2441 6487 6054 1 2101 3449 3608 3747 4310 9210 3269 3696 3686 12026 4170 4445 4604 14924 3062 9760 9724 1 1766 5381 5170 7672 7377 3862 4052 6473 6210 3937 12756 3310 3781 6653 6791 4518 5014 5934 5273 7677 8108 4560 16562 2058 7697 14107 2417 284.1698 *284.1962* 284.1962@1.1405029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9790 1 1 1 284.1962 *284.1973* C12 H24 N6 O2 15265 13459 13718 11605 12415 12242 21341 18055 15969 15704 12265 13033 17764 18339 22037 21347 11944 11876 16470 15900 15837 16134 11212 10797 11870 11897 17104 14986 17488 15499 34142 35962 31938 1 10716 10476 11763 12132 27458 26184 12707 13516 8119 7765 24692 23376 17211 17959 13444 12379 21754 21117 12087 11614 11043 11086 37951 37641 14676 15618 16640 11283 30128 28774 140828 131845 16608 16805 25433 25294 18503 18083 11130 10884 23502 26551 13677 12937 19556 19523 12775 11603 10806 10604 17357 17156 21911 26603 18842 18883 284.1973 *284.2674* 284.2674@1.0883617 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7386 2875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2674 *284.2684* C14 H32 N6 26477 26414 17287 17604 29067 31218 37211 35868 17811 17773 26875 28148 26029 27320 26807 27352 19446 19463 44624 45693 45603 46489 32187 31832 31554 30626 29061 29313 47336 46921 46831 45380 37360 38998 25217 26140 27837 29266 64542 63860 14449 19326 36369 35866 32633 31194 30815 30188 23421 23086 41104 40839 30530 31194 29481 29730 28503 27682 40929 39046 17380 18060 18018 18483 24024 23994 22574 23925 28902 28120 37074 37871 21537 21171 26011 25784 30907 29178 49948 50045 38677 38627 27600 27757 48172 48909 81441 80567 21533 22581 284.2684 *284.2693* 284.2693@2.0077362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2693 *284.2701* Stearic acid 14444 17031 20614 22567 22392 21346 88599 85746 25731 28661 26500 33437 7822 7211 1 8073 9848 9592 18393 22149 15161 18140 5533 4663 8488 10211 9913 11142 7909 10158 15229 14712 16376 17830 9417 10769 12597 11877 14555 15869 10142 8056 15976 16075 22534 22130 26171 23105 21679 17492 53599 52856 9431 8688 22491 26272 56307 60716 30898 29712 34513 34239 22879 23886 35715 27463 12593 14315 25191 33234 8340 7400 11369 9109 8907 9990 29731 28746 40393 38787 29400 23582 50281 49255 61964 70509 4690 4492 44934 49453 HMDB00827 C01530 284.2701 *284.9633* 284.9633@1.0996658 47124 48346 1 1 5270 7874 1 1 1 1 23963 25358 1 1 6317 4489 1 1 1 1 45434 45462 14405 14297 9535 9276 1 1 1 1 23957 26840 19530 19262 25117 26443 20872 20292 1 1 1 1 1 1 1 1 1 1 1 1 29619 29670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10588 11024 1 1 1 1 1 1 1 1 3070 3452 1 1 1 1 15862 16417 95108 99773 1 1 1 1 284.9633 *284.9838* 284.9838@2.565094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7365 7131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6094 6843 3161 3312 1 1 1 1 1 1 1 1 284.9838 *285.0248* C10 H11 N3 O3 S2 6757 5932 6675 6958 5087 5542 4410 4426 7958 9654 8875 8794 5988 5902 8736 7969 3693 3908 8049 7961 4433 4975 4901 5560 6907 6702 7297 6721 6785 7113 6755 7061 4986 5005 3672 3317 6390 6541 3587 2954 4744 5106 4979 4935 3587 3480 3346 3344 4941 4883 5003 5588 4677 4633 6138 5398 4780 4911 5985 5600 6507 6055 2435 2670 4100 4025 4615 4498 3662 3944 7952 7955 3052 3321 2597 2378 3048 3066 2505 3088 4281 4150 4125 4095 3628 3714 3396 3268 2342 2663 285.0248 *285.0552* 285.0552@3.2283463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0552 *285.0757* 285.0757@2.809618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11093 10935 1 1 1 1 285.0757 *285.0766* 285.0766@2.7125626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33520 32020 1 1 1 1 285.0766 *285.0952* C12 H19 N3 O S2 20737 21743 18274 18617 20976 13196 71823 62275 10656 12193 21311 20573 12602 14353 13448 12688 16749 16111 18408 10117 21119 21542 22514 21058 11841 10666 10592 9839 10856 12307 25167 25419 29828 31528 15236 13076 21617 23807 14921 12410 16806 17977 18646 18265 17771 17789 11351 10526 13007 8204 31290 24872 23837 24379 12767 12021 15602 15419 12898 11781 14749 15220 14324 14198 17937 16382 20641 8167 13286 12555 21609 22852 8670 8364 10802 11819 14294 8904 46586 50546 29040 29044 15353 13745 36873 27359 22396 19392 11495 14689 285.0952 *285.0954* 285.0954@2.203707 1 1 1 1 1 6864 1 1 3566 1 1 1 1 1 1 1 1 1 1 10359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13653 1 1 1 1 1 1 1 1 1 5668 1 1 1 1 1 1 1 1 1 1 1 1 285.0954 *285.1593* 285.1593@1.0463564 1 3090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1593 *285.2373* 285.2373@2.0064301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5166 5366 1 1 1 1 7748 1 2540 4500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3014 1 1 1 1 1 1 2409 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1 1 1 2749 1 1 2664 2894 2430 1 1 1 1 5785 5654 1 1 285.2373 *285.2402* 285.2402@1.9744425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6885 6159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.2402 *285.2457* 285.2457@1.9784982 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 1 4543 1 1 1 1 1 1 1 1 4838 3878 1 5110 1 1 1 1 1 1 1 1 1 1 1 1 1 4067 1 1 1 10791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3992 1 1 1 1 18922 1 1 1 1 1 1 1 1 1 1 285.2457 *285.2508* 285.2508@1.9771799 1 3651 1 1 8179 6087 1 1 1 1 1 1 1 1 1 1 1 2541 1 1 1 1 1 1 1 1 2008 1 1 1 3530 2866 6786 5772 1 1 3129 1 5733 1 1 1 6823 1 10100 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 11662 1 1 1 1 1 1 1 4584 1 1 1 1 1 1 1 3775 1 1 10693 1 1 1 1 1 1 1 1 1 1 1 285.2508 *285.26* 285.26@1.9777801 3773 1 1 1 1 1 1 1 1 1 7194 1 1 1 1 1 1875 1 1 1 3988 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 2323 1 1 1 1 1 3805 1 1 1 1 1 1 1 1 2238 1 1 1 1 1 7628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1908 1 1 1 1 1 1 1 5093 1 1 1 1 1 1 1 1 285.26 *285.9809* 285.9809@1.1014357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.9809 *286.0166* 286.0166@1.2980437 1 1 1 1 1 1 7717 7453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0166 *286.017* 286.017@1.1515414 1 1 1 1 1 1 48605 49156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.017 *286.0183* 286.0183@0.7082409 1 1 1 1 1 1 1 1 6427 6276 1 1 1 1 1 1 1 1 1 1 1 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0183 *286.05* 286.05@1.1618922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23359 23564 1 1 286.05 *286.0503* 286.0503@3.2066696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0503 *286.0519* 286.0519@3.228968 1 1 1 1 6471 6989 1 1 1 1 1 1 1 1 10003 10214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3404 2520 1 1 1 1 24694 25910 1 1 1 1 1 1 1 1 1 1 1 1 10302 10719 7010 6224 1 1 8293 8917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0519 *286.0642* 286.0642@2.798112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11530 10545 1 1 1 1 286.0642 *286.0883* 286.0883@1.0970824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2847 3085 1 1 1 1 286.0883 *286.1211* Bifemelane (M4) 5667 6691 1 1 1 1 5113 4625 1 1 5408 6149 4284 4270 1 1 1 1 1 1 1 1 7383 6666 3694 5176 5345 5768 6474 7261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3397 3091 1 1 1 1 3579 3783 3967 3395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6312 6425 3072 3691 1 1 4830 4959 1 1 286.1211 *286.1324* 286.1324@1.968 1 1 1 1 1 1 1 4979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1324 *286.1364* 286.1364@1.0535127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4223 3645 1 1 1 1 1 1 1 1 3844 1 1 1 1 1 2838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3472 3423 1 1 1 1 1 1 1 1 1 1 4829 4069 1 1 1 1 1 1 1 1 5025 5134 1 1 1 1 1 1 2827 1 286.1364 *286.1402* 286.1402@1.9843011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17408 17923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1402 *286.1753* 286.1753@1.3497746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1753 *286.1769* 286.1769@2.694636 1 1 2944 2994 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 3255 3509 2537 2678 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4880 4869 1 1 1 1 3603 3152 2977 2722 1 1 1 1 5995 6500 1 1 1 1 1 2169 1 1 1 1 1 1 3264 4003 2296 2461 5225 5594 1 1 1 1 1 1 286.1769 *286.1773* 286.1773@1.2806503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12075 15655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1773 *286.1803* 286.1803@1.195071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4286 2821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1803 *286.1897* 286.1897@1.1535612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1897 *286.21* 286.21@1.1325862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 286.21 *286.2129* Hexadecanedioic acid 13865 13515 11659 13084 12534 14165 20641 23354 14032 14454 15703 15101 17060 16084 14894 17079 9200 9789 15033 10882 25201 20470 10102 11361 11679 10601 16797 15797 11933 12925 33693 36158 35696 37039 6838 6586 10594 10534 39612 36737 11718 12187 13017 12322 17933 16667 17716 16731 9549 9776 20211 21744 11544 13395 9871 10585 23166 23676 15394 15668 12927 12969 38675 39348 151563 153799 12285 15285 12404 12579 18201 17621 10149 10402 29526 33666 9506 10020 27629 28566 16334 16210 9298 9504 16997 14534 38412 40380 18784 18116 HMDB00672 C08260 286.2129 *286.2403* 286.2403@1.978806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 1 1 1 1 1 1 1 1 1 1 1 286.2403 *286.2489* 286.2489@1.9771338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.2489 *286.2604* 286.2604@1.9760809 1 1 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.2604 *286.8474* 286.8474@0.7645599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3177 1 1 1 1 1 1 1 4914 1 1 1 1 1 1 1 1 4049 4236 1 1 1 1 3143 3364 1 1 1 1 1 1 3267 3657 3917 5046 6128 7213 1 1 5654 5668 5487 6016 1 1 1 1 6551 6278 1765 4493 2891 3157 1 1 286.8474 *286.9609* 286.9609@1.1010833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8232 8665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.9609 *287.0204* 287.0204@2.8958457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2714 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2480 2415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5638 5262 1 1 1 1 1 1 287.0204 *287.0804* 287.0804@2.163 1 1 1 1 1 1 1 9017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.0804 *287.1352* 287.1352@0.8013069 1 1 2931 3259 5348 6127 3513 3707 3487 3325 4973 4830 3428 3204 1 1 3548 3588 3150 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1 1 1 1 1 1 1 1 1 1 1 3578 3838 1 1 1 1 1 1 4046 4454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7384 7652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.1352 *287.9194* 287.9194@3.9617088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3616 1 1 1 1 1 1 1 1 1 1 1 5128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5002 1 1 1 1 1 1 6106 1 1 1 1 1 4261 1 1 9515 287.9194 *287.9762* 287.9762@1.9738519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 287.9762 *288.0282* C14 H9 Cl N2 O3 8704 9847 8197 8695 9295 9235 1 1 3955 4591 1 1 1 1 3684 3595 1 3202 1 1 1 1 1 1 1 1 1 1 20015 19454 1 1 1 1 1 1 4710 4425 1 1 11682 16292 2592 2586 1 1 1 4389 1 1 1 1 1 1 1 1 1 1 1 1 4118 4230 3357 3421 6318 8318 1 1 1 1 1 1 3790 4738 1 1 1 1 1 1 9884 9060 1 1 1 1 3786 3674 1 1 288.0282 *288.0499* C13 H12 N4 S2 1 4795 6573 1 4716 4722 1 3826 4949 5123 1 6772 4651 4492 5912 1 3679 3964 1 1 5198 5600 6831 6362 5697 6044 5902 5176 1 5961 6188 6185 3580 3669 3852 3858 4330 4923 3992 4107 6117 5953 7107 1 4694 4991 1 6192 6767 1 5041 1 6329 5610 7049 6244 5165 5225 6237 1 1 8379 5252 5220 3242 3451 5231 4759 4658 5115 1 8170 5498 5320 4982 5565 1 6313 5868 6064 6545 1 1 7212 1 5255 3273 3443 5600 1 288.0499 *288.077* 288.077@2.161743 7077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6046 1 1 1 1 1 1 1 1 1 288.077 *288.0779* C12 H20 N2 S3 2536 9369 8617 9004 9765 9894 43601 42206 9354 9224 9262 9253 5962 5326 7413 6949 6693 6931 10213 10469 5710 5580 5815 6182 6764 7107 6571 6532 5402 4935 7929 7902 12056 12292 1 1 7585 6153 6008 6166 8590 8576 3835 1 6100 6384 1 1 11224 10833 12078 12953 5855 5664 6919 7004 9823 10823 5216 5084 5645 1 6305 5500 3418 5049 7379 7988 4073 4000 7943 7974 4385 1 4371 4447 5079 5148 15985 17614 4996 11004 8895 9051 15654 15817 9709 9449 1 1 288.0779 *288.0841* 288.0841@1.595943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7463 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0841 *288.0854* 288.0854@1.6159348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0854 *288.0856* 288.0856@2.1855164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0856 *288.0874* 288.0874@2.1764977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10958 10814 1 1 1 1 1 1 1 1 1 1 7115 8775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14199 13822 288.0874 *288.0913* 288.0913@4.219467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124592 126382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0913 *288.0981* 288.0981@2.357889 1 1 1 1 1 1 10110 10709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0981 *288.1004* 288.1004@1.1486332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5386 6440 1 1 1 1 288.1004 *288.1395* 288.1395@2.011948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7869 7162 1 1 1 1 4449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1395 *288.1412* 288.1412@2.012789 1 1 1 1 1 1 7743 8194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 1 1 1 1 1 1 1 1 1 1 1 1 5407 6930 1 1 1 1 2183 2140 1 1 1 1 5585 10876 7313 6806 1 1 1 1 1 1 1 1 1 1 1 1 4363 1 1 1 1 3311 1 1 8898 6695 1 1 10289 9147 1 1 1 1 288.1412 *288.1502* 288.1502@2.017354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1502 *288.1556* 288.1556@1.8061396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5149 8106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1556 *288.1556* 288.1556@1.4750443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1556 *288.1799* 288.1799@1.164816 1 1 1 1 1 1 17649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1799 *288.1947* 288.1947@1.2047229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1947 *288.8423* C4 H Cl2 N3 S4 18326 17908 8733 8388 1 1843 5809 6669 20737 20781 6746 6314 18846 18075 18525 16538 10569 11026 4857 3490 6638 6624 16771 15643 10099 9765 4456 3675 3529 3684 18925 7805 1 1 51603 65109 34367 29048 20146 19798 30706 27986 100950 39701 5713 5806 28085 31617 51338 58786 61892 56021 83822 83577 15878 16601 50054 45609 62372 67416 57424 94853 1 1 31891 33872 70123 78233 81703 114449 135734 153321 17387 16896 134657 132481 124929 128524 15639 15646 33553 32475 146830 144942 97601 92216 63407 62975 38009 40227 288.8423 *288.8423* 288.8423@0.7895415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.8423 *289.0045* 289.0045@1.1148415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3643 3817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.0045 *289.0599* 289.0599@0.9749364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12687 13480 1 1 1 1 1 1 1 1 1 1 289.0599 *289.0855* 289.0855@1.06402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 1 1 1 1 289.0855 *289.9916* 289.9916@3.0008156 1 1 6710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6830 1 1 1 1 1 1 1 3203 1 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 6263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3038 1 289.9916 *289.9917* 289.9917@3.144345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13805 1 289.9917 *289.9925* C11 H14 O S4 1 1 2049 5328 1 1 1 1 1 1 6043 5863 1 1 11059 1 1 1 1 4764 4264 9690 1 1 1 1 1 1 9446 3279 1 1 4845 1 1 1 8151 6030 1 1 12320 10094 1 1 8983 9680 1 8930 11344 12983 3710 1 9047 7142 6435 8798 1 1 1 1 1 1 1 10532 5606 4165 1 6719 1 1 1 5663 5739 7410 1 1 5680 1 1 8225 12565 11446 1 3198 1 1 1 1 9792 1 289.9925 *289.9926* 289.9926@1.9765439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 2065 1 1 1 1956 1 1 1 1 1 2223 1940 2311 2186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2193 1 1 1 2029 2238 2089 1 1 2556 1 1 1 1 289.9926 *290.0379* 290.0379@0.72611773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0379 *290.0443* 290.0443@0.7601448 1 1 1 1 1 1 1 1 4312 3946 1 1 1 1 1 1 1 1 3275 5857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11810 1 1 1 1 1 8758 10025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5600 5325 1 1 1 1 1 1 4471 5483 1 1 1 1 1 1 1 1 1 1 9515 8654 1 1 1 1 290.0443 *290.0459* 290.0459@0.94858414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3346 1 1 1 3027 3114 1864 2839 1 1 1 1 1 1 2418 2123 290.0459 *290.0736* 290.0736@1.6970257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5343 1 1 1 1 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9829 1 1 1 1 1 1 290.0736 *290.0756* 290.0756@2.8459592 1 1 1 1 5786 4849 1 3645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69780 70393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72828 71328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0756 *290.0799* 290.0799@1.0625184 1 1 1 1 1 1 3589 1 1 1 9771 9944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3635 1 1 1 1 1 1 4053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7243 1 1 1 1 1 1 1 1 1 9279 10534 1 1 13261 12662 1 1 1 1 290.0799 *290.0858* 290.0858@1.0754821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 3102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0858 *290.1142* 290.1142@1.1358316 1 1 1 1 17248 18980 7091 6313 1 1 1 1 8452 6160 1 1 18306 18234 1 1 1 1 1 1 1 1 1 1 4221 3934 1 1 1 1 12948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7566 7752 1 1 6926 3722 290.1142 *290.1203* 290.1203@1.1450907 1 1 1 1 1 1 1 1 13721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15288 1 1 1 12027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6391 6508 1 1 1 1 290.1203 *290.121* 290.121@1.1281435 3495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2526 3253 1 1 1 1 1 1 1 1 1 2821 1 3755 1 1 1 2259 5569 5876 1 1 1 1 2587 1 1 11072 1 1 1 1 1 1 1 1 2749 1 2593 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1 1 290.121 *290.1239* 290.1239@1.0388919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1239 *290.1251* 290.1251@1.1054597 2708 3252 1 1 1 1 2787 2840 1 1 2358 3199 2937 1 1 1 1 1 6744 4592 1 1 3470 1 3898 4117 3495 3198 5605 5531 1 1 4295 1 1635 1 1 1 2720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 3004 1 1 2175 3018 1 1 1 1 1 1 1 1 1 1 5117 1 1 1 1 1 1 1 3044 3448 5797 5215 1 1 1 1 2329 1 1 1 290.1251 *290.1345* 290.1345@1.0469007 1 3389 1 1575 1 1 1 1 1 1 1 1 1 2808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1345 *290.1395* 290.1395@1.0467944 1 1 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1395 *290.1485* 290.1485@1.9812657 1 1 1 1 1 1 5874 5009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1485 *290.161* 290.161@1.1280789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7409 8621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.161 *290.1718* 290.1718@1.1355683 1 1 1 1 1 1 1 1 1 1 17115 16536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123772 1599 1 1 1 1 9172 1 23908 3262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2308 7564 7850 5829 124826 1 1 1 1 71104 71915 1 1 12563 1 1 1 1 1 7895 7917 1 1 1 1 1 1 290.1718 *290.1719* 290.1719@1.1224955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123658 1 1 1 1 1 1 1 16429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8866 120104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1719 *290.9935* 290.9935@2.0167003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3286 1 1 1 1 1 1 1 1 1 1 290.9935 *291.0295* 291.0295@1.1240697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5258 4826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.0295 *291.0706* 291.0706@3.0447497 1 1 5143 4923 1 1 3681 1 1 1 10593 9078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11366 11593 1 1 5896 5872 1 1 1 1 1 1 9230 9435 1 1 1 1 1 1 10111 10778 1 1 1 1 1 1 1 1 1 1 5065 1 1 1 1 5126 10263 9525 1 1 1 1 1 1 1 1 1 1 1 1 13570 13713 1 1 5843 1 1 1 1 1 291.0706 *291.078* 291.078@3.8449278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15939 15368 1 1 1 1 1 1 1 1 1 1 10564 9844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.078 *291.0985* 291.0985@2.8814125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4302 4508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4046 1 1 1 1 1 1 291.0985 *292.0243* 292.0243@0.97493637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7867 8661 1 1 1 1 1 1 1 1 1 1 292.0243 *292.0273* 292.0273@0.7076288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7155 7130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.0273 *292.0424* 292.0424@0.7475317 1 1 1 1 1 1 7035 7237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.0424 *292.0689* 292.0689@0.7158451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4120 4554 1 1 1 1 1 1 1 1 292.0689 *292.0873* 292.0873@1.8017799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.0873 *292.0938* 292.0938@2.859424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 1 292.0938 *292.0956* C11 H13 Cl N8 2199 1 8601 8267 1 1 1 1 1 1 4593 3899 1 1 6668 9512 1 1 4829 4775 5367 5996 1 4522 5262 6306 3517 4036 1 1 1 1 1 1 3536 4039 1 2302 5056 5220 1 1 1 1 3170 3261 3192 5208 6547 6133 26285 26354 7842 8188 1 1 3462 3487 5508 5331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10266 6929 5963 6343 7891 8137 21523 26118 10606 9825 3344 3989 1 1 292.0956 *292.0998* 292.0998@2.0476413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3240 1 1 1 292.0998 *292.1322* 292.1322@1.1969627 1 1 1 1 15797 1 1 7275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1322 *292.157* 292.157@1.1266854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.157 *292.1668* 292.1668@1.1361774 1 1 1 1 1 1 2856 4065 2555 1 1 1 2807 3597 1 2023 1 3481 1 1 1 1 4184 1 3366 1 2519 2864 3343 1 1 1 2623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 1 1 1 1 1 1 1 1706 1 2472 1 1 1 1 1 1 1 2593 1 1 1 1 1 1 1 1 1 1 2047 2362 1 1 1 1 1 1 3126 2792 292.1668 *292.1675* C18 H20 N4 9031 8290 5218 9627 1 3890 3379 5242 5271 5649 1 1 6039 5721 11460 9996 2533 3472 1 1 1 1 1 1 3935 4945 1731 2265 1 18163 1 1 1 4603 1 1 1 1 1 1924 2679 2714 1 1 1 1 1 1 1 1 3315 1945 1 1 1880 1 4431 4735 1 1 3595 1 1 1 7743 10676 1 1 2849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4335 1 1 1 1 1 292.1675 *292.1677* 292.1677@1.0335482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1677 *292.1695* 292.1695@1.0998086 1 1 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1695 *292.173* 292.173@1.1163491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4996 1 5801 6510 1 1 3874 5744 1 1 1 1 8696 1 1 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 4703 1 1 1 1 1 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 1 1 1 1 1 1 1 1 1 3981 1 1 1 1 292.173 *292.1822* 292.1822@1.1142375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 4141 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1822 *292.1878* 292.1878@1.1149825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 5117 5032 1 1 292.1878 *292.1937* 292.1937@1.1214948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5319 7326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1937 *292.2* 292.2@1.0934781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4067 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2 *292.965* C12 H7 N O2 S3 1 8545 4057 3638 1 4562 1 9020 1 5011 1 1 1 5741 1 3198 1 1 1 4881 1 1 1 1 1 1 4154 5049 7458 8117 1 1 1 16930 10717 11159 9028 9866 3950 1 1 1 8639 8469 8011 7799 1 1 1 1 6400 1 6147 1 1 1 1 8108 1 1 6991 8032 1 1 1 1 1 1 3051 1 1 1 1 1 1 1 1 1 1 1 10881 10886 1 1 1 1 1 1 1 1 292.965 *292.9654* C9 H11 N O2 S4 8938 1 1 1 4713 1 8487 12482 4569 1 1 1 5321 1 2911 1 4535 5029 5415 1 1 1 1 1 7515 8712 1 1 1 1 1 1 17910 1 1 1 1 1 1 3740 6232 5892 1 1 1 1 7354 6131 5948 5569 1 6497 1 5748 1 1 7663 1 1 1 1 1 1 1 10576 10511 5954 6453 1 3269 1 1 1 1 4362 1 7181 6358 16868 17699 1 1 8786 10043 6467 5865 2501 4132 14348 12597 292.9654 *293.0007* 293.0007@0.91940624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4264 4125 1 1 293.0007 *293.0362* 293.0362@1.0869863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.0362 *293.0863* C10 H11 N7 O4 1 2094 2032 2195 2629 3119 1 1 1838 1 3657 3262 1 2467 3831 3600 2323 2176 5671 5416 2868 2906 2763 2746 5158 5381 4934 5537 6328 6131 4159 3897 4890 4694 4103 3539 5919 6197 5037 4922 5461 5998 7250 8064 5407 5755 6681 6860 10315 10196 5685 5248 6147 6513 7104 7312 5587 6165 8218 8678 9768 9476 5586 5050 6268 6528 9638 10296 6330 5979 14877 16199 5847 5694 3603 3481 4325 5107 6319 6437 9694 9853 8961 8712 9770 10382 7032 7423 8359 8066 293.0863 *293.1619* 293.1619@1.026974 15926 21079 1 1 1 1 1 1 1 1 1 1 1 1 1 18817 1 1 1 1 1 1 11467 18010 35602 19853 9259 3043 13583 20741 1 1 1 1 1 1 1 4487 1 1 12586 1478 1 1 1 1 1 1 1 1 4589 4703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1619 *293.1701* 293.1701@1.1197165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1701 *293.8511* 293.8511@0.9539465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5890 5287 1 1 1 1 293.8511 *293.8514* 293.8514@1.0210094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 5367 1 1 1 1 293.8514 *294.01* 294.01@1.1943668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1832 1755 1 1 1 1 1 1 1 1931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.01 *294.0173* C7 H15 Cl O8 S 8082 11634 12931 1 20338 1 23831 24942 24490 31419 1 28453 18429 21214 27615 2975 28097 13300 1 1 16663 15942 25629 8431 34723 8769 1 1 11772 17190 25854 21776 18482 20422 20738 22857 1 3955 1 1 17513 11581 31625 36135 5935 16604 28029 11619 7879 17988 43661 47537 23636 38036 25703 24517 21586 15280 25529 21718 48193 45031 3213 19753 18154 19261 13826 13539 18205 13231 6777 10213 1 3636 8846 20940 1 1 4235 1 1 1 25407 1 16094 16458 12826 20257 14500 20046 294.0173 *294.0176* 294.0176@2.7079983 1 1 1 1 1 1 10587 1 1 1 1 1 1 1 1 2990 1 12972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24536 1 1 1 1 1 1 1 1 1 1 1 1 1 7701 1 294.0176 *294.018* C7 H15 Cl O8 S - 2.7567756 1 1 3529 10557 1 2409 8938 5749 1 8880 33982 1 10964 5396 8148 8607 10113 8203 1 1 1 1 11300 13598 1 1 1 1 1 1 1 5068 1 1 6397 8404 1 1 1 1 1 7525 1 1 1 1 3543 3967 8575 7807 1 1 4645 6790 1 1 1 1 1 1 1 1 30394 1 1 1 1 1 7048 1 1 1 1 17114 4297 5188 1 7774 1 1 1 1 1 1 1 1 1 1 7880 7135 294.018 *294.0181* 294.0181@2.7022848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11730 1 3662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0181 *294.019* 294.019@0.74702597 1 1 1 1 1 1 13184 12840 1 1 1 1 16682 18762 1 1 1 3040 1 1 1 1 5760 5673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5717 3634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.019 *294.0191* 294.0191@0.7374227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0191 *294.0279* 294.0279@2.7532518 1 1 1 1 1 1 1 1 1 1 1 3438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0279 *294.0386* C14 H14 O3 S2 45797 50093 1 1 13503 14847 1 1 1 1 4563 1 1 1 1 1 1 1 181594 168456 27914 40589 1 1 13331 10264 124446 116284 40480 35480 1 1 30927 34315 1 1 82145 85893 142239 140807 15868 20198 1 4934 42214 48877 1 1 1 1 1 1 1 1 16394 14049 14393 28767 30976 34359 1 1 12200 11966 55411 45875 65735 65084 19148 14009 94626 90328 16268 16742 1 1 1 1 73780 94680 118876 30240 1 1 105774 123468 39794 37902 1 1 294.0386 *294.0392* 294.0392@2.7814033 18343 21318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33769 34556 1 22581 1 1 1 1 1 1 2932 1 1 1 5670 1 1 1 1 18781 28612 1 4205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117776 1 1 1 1 1 1 1 1 294.0392 *294.0397* 294.0397@2.884862 4634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0397 *294.0398* C7 H14 N6 O S3 6493 7519 1 1 5835 1 1 1 1 1 5559 10938 1 1 1 1 1 1 40931 40894 1 10886 1 1 1 1 21006 25780 7122 7996 1 1 3110 1 1 1 22215 11651 12999 22898 4634 3799 1 6267 1 1 1 1 8325 1 1 1 1 1 6013 3164 16580 17409 1 1 1 5112 1 1 5434 7816 5982 1 1 1 30428 29086 5306 3035 1 1 1 1 23973 26124 32346 23201 1 1 23255 1 26999 24348 1 3858 294.0398 *294.0413* 294.0413@1.0567076 1 1 1 1 1 1 17490 17380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5232 5145 1 3282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7040 6672 1 1 1 1 294.0413 *294.0531* 294.0531@0.757046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30366 14946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0531 *294.0582* 294.0582@5.507824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0582 *294.0791* 294.0791@1.4328103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3458 3841 1 1 1 1 1 1 1 1 294.0791 *294.104* 294.104@2.035815 1 1 1 1 1 1 4636 4891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3021 1 1 1 1 1 1 1 1 2974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3007 2338 1 1 1 294.104 *294.1097* 294.1097@2.030023 1 1 3653 3265 1 1 1 1 1 1 1 11732 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9209 9712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1097 *294.1104* 294.1104@0.92682004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2574 2794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1104 *294.1517* 294.1517@1.0629507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35329 28828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1517 *294.1615* 294.1615@0.9698744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1615 *294.1809* 294.1809@4.9963303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1809 *294.1816* 294.1816@6.505581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4715 1 1 1 1 1 1 1 1 1 294.1816 *294.1817* Embelin - 1.2989117 1 1 1 6978 7807 9603 7185 7644 8299 7413 6275 1 6510 7988 9514 1 1 6246 4416 6294 1 1 11741 10755 1 1 7155 1 2599 7969 7885 8176 9130 11509 8626 9028 9679 10333 3804 10105 11831 9666 9410 9818 7203 6290 9843 9932 9428 7708 1 5210 7543 4559 7711 11113 7128 8289 8253 9537 4368 10119 4822 9333 3821 12630 8438 8132 3857 8299 5452 8578 9859 9323 10402 9586 1 1 6828 1 10029 7310 1 8033 8208 11253 8077 7645 7810 8770 294.1817 *294.1817* Embelin - 5.037233 1 1 1 1 1 1 2028 1 1 1 1 3316 1 5292 1 1 5334 1 1 1 1 1 2150 1 1 1 1 1 5842 1 1 7782 6217 10560 1 1 1 5192 1 3043 1 7350 1 1 1 1 12754 10195 1 10409 3657 1 3374 1 1 8905 2814 7650 1 7795 7281 10845 1 4406 1 1 4380 1 2071 10924 5795 8337 6304 7651 1 10040 1 11008 9870 3099 4969 2477 8592 1 1 9408 7969 7151 11725 6694 294.1817 *294.1818* Embelin 83820 79897 1 23394 6461 5733 26549 22557 27750 27129 4307 32392 38255 37721 37074 35793 23806 19461 158763 5682 33915 35546 71028 72665 3897 63992 52971 55198 7338 7534 20799 21035 21090 24994 3623 1 54196 52694 24253 24514 5234 4878 28139 15584 21121 25658 34806 36126 23164 19316 74645 73431 8263 5881 37726 37848 25741 25628 27370 23255 47773 48745 23876 30346 20309 19238 23578 26039 21237 32609 4297 5245 25709 21017 28754 26295 8652 7529 4300 24089 67502 67601 32220 32596 5104 4987 16703 16298 4566 4291 294.1818 *294.1818* 294.1818@5.105855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4803 1 3376 1 1 1 1 1 1 1 1 6692 1 1 1 1 1 5089 1 1 1 1 1 1 1 1 1 6596 1 1 1 1 1 4796 2549 1 1 1 1 3224 1 2368 1 1 1 1 1 1 1 1 4450 294.1818 *294.1819* Embelin - 1.0966722 1 1 1 1 1 1 1 5290 1 1 32864 93529 1 1 5323 1 1 1 1842 233183 1 1409 1 2630 65638 1 1 1 156038 154159 1 1 1 1 1 1 1 1 1 1 134719 84506 1 1 1 6859 1 1 1 1 1 1 25509 26196 1 1 1 1 1 3089 1 12259 1 18426 7231 1 1 5325 5211 1 31708 31289 1 1 1 1 29935 29696 15585 1 1 1448 5160 64731 26498 27687 1 1 32324 34781 294.1819 *294.182* 294.182@1.5020742 1 1 1 1 1 1 3209 2260 1 1 6111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8585 1 5837 1 1 1 1 1 1 1 4416 1 1 1 1 1 1 1 1 1 1 1 8351 6854 9166 6741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8391 8618 1 1 294.182 *294.182* Embelin - 1.9788442 19811 20603 21460 23028 23853 24094 36695 34339 24340 23995 24374 23642 17686 14893 14498 16809 20190 21481 21713 22759 23724 21390 14993 14942 19030 17607 23449 22148 18720 19788 21773 20907 25822 27120 16571 16617 18686 18854 19258 22364 18675 18059 26934 28965 25369 25474 22440 22290 21928 22552 25993 29287 19175 16508 22418 21975 34298 33672 26661 28062 24718 23953 21476 23627 28346 24639 20824 19083 24629 27434 15827 16380 22995 21115 18983 16212 24568 24395 30633 26854 22871 22737 32272 32055 32434 32727 13947 12927 28650 27939 294.182 *294.182* Embelin - 0.6724296 9677 4962 1 1 10524 7507 2456 1 1 7147 7446 9351 6246 5239 7981 5286 1 1 7591 1 1 5491 11326 7920 1 4097 7859 1 6516 8369 1 9927 1 1 4954 1 5036 1 9864 1 4089 7641 9321 1 1 7948 8411 8584 1 1 5278 10135 6649 6511 8561 8272 1 10866 7566 8065 5567 1 1 1 1 5448 1 1 1 1 8606 1 10029 6850 7389 9286 7462 1 7297 7935 1 1 1 1 10359 1 4678 11973 1 9915 294.182 *294.182* 294.182@6.4650087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 3903 1 1 1 4320 5590 1 1 8543 1 1 1 1 1 1 1 1 1 1 1 1 3941 1 1 1 1 1 3454 1 3351 1 3990 1 1 1 1 1 1 1 294.182 *294.1825* 294.1825@2.915187 1 1 1 1 1 1 1 1 1 1 1 1 4349 8863 1 1 8187 7833 1 1 1 1 1 1 5699 1 1 1 1 1 1 1 1 1 9088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1825 *294.1829* Embelin - 1.1010922 156941 156000 80917 85107 66496 68402 72150 74148 80907 85046 92828 4673 126026 126219 119599 123467 148145 146518 242174 157950 72205 70889 117766 119232 94035 96714 113153 113830 133504 137561 56907 62206 81183 79619 71134 75445 79655 80122 94488 92015 82405 131687 75338 73817 66689 58525 75189 78432 88203 86795 136725 135971 81588 84912 77948 81903 66856 69778 70512 73843 74303 61539 75087 57800 97779 97995 60393 57922 58207 61583 101042 102297 93003 91575 74899 76354 59093 59143 81409 79338 77030 78260 64576 7680 78809 83931 69867 70415 55857 58049 294.1829 *294.1831* 294.1831@1.0881248 1 1 1 1 1 14953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8641 9826 1 1 1 1 1 1 1 5390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1831 *294.1864* 294.1864@0.8396695 1 1 1 1 15840 1 1 1 1 1 1 1 5088 5125 1 1 1 1 5545 1 1 1 1 10807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042760 1038483 1 1 1 1 1 1 1 1 1 1 1 1 5713 1 1 1 1 1 1 4842 1 1 1 1 1 1 1 1 1 1 294.1864 *294.2458* 294.2458@1.0692799 1 1 1 1 2959 5378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 1 11421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8570 9331 1 1 1 1 1 1 5012 4146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.2458 *294.2515* 294.2515@1.0307261 1 1 1 1 28350 29376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30763 32532 1 1 1 1 1 11782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.2515 *294.322* 294.322@1.1019845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.322 *294.9475* 294.9475@1.120846 20957 21668 1 1 1 1 1 1 1 1 8011 7709 1 1 1 1 1 1 1 1 12950 13357 8023 7248 7574 7735 1 1 1 1 2400 2583 6609 7553 3263 3205 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 27730 27427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2860 2672 1 1 1 1 1 1 1 1 2196 2030 1 1 1 1 1 1 13212 12789 1 1 1 1 294.9475 *295.0409* 295.0409@2.7459252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5677 1 1 1 1 1 1 1 1 4446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3812 1 1 1 1 3933 1 1 1 1 295.0409 *295.3383* 295.3383@0.8145749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.3383 *295.8488* 295.8488@0.95444745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10511 16915 1 1 1 1 295.8488 *295.8493* 295.8493@1.0199875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6619 1 1 1 1 295.8493 *296.0141* 296.0141@2.6735415 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5514 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10159 1 1 1 1 5309 1 1 1 1 1 6401 1 1 1 1 1 1 2881 1 1 1 1 1 3865 1 1 1 1 1 1 8478 1 1 4196 1 1 1 296.0141 *296.0188* 296.0188@2.7253432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2872 1 1 1 1 3616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 2796 1 1 1 296.0188 *296.0281* 296.0281@1.9695647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2246 2383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0281 *296.0332* 296.0332@2.6793888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6051 1 1 1 1 1 1 2139 1 1 1723 1 1 1 1 1 1 1 1 1 3832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0332 *296.0342* 296.0342@0.9795838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2629 3674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8310 4924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0342 *296.0343* 296.0343@0.8172996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 825300 830494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1966299 1965418 1 1 1 1 1 1 1 1 1 1 1 1 11730 13255 1 1 1 1 153221 153356 1 1 1 1 1 1 1 1 1 1 3278962 3550619 1 1 1 1 1 1 1 1 1 4595 11094 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0343 *296.0353* 296.0353@1.1005316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15999 14300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26456 40360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0353 *296.0354* 296.0354@0.8456619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295648 1 1 1 1 1 1 1 1 1 4027 1 1 11783 1 1 1 1 1 1 1 1 1 1 1 1 296.0354 *296.036* 296.036@1.9737338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 5036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 2567 1 1 1 1 1 1 296.036 *296.0365* 296.0365@1.1176682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0365 *296.0419* 296.0419@1.9690406 1 1 1 1 1 1 3042 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0419 *296.0582* 296.0582@1.14923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2714 2853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 2181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0582 *296.1185* 296.1185@0.9241365 1 1 1 1 3052 5520 1 1 3849 5989 4981 3152 1 1 1 1 1 1 1 3561 1 1 5991 5891 4197 1 1 1 1 1 3018 1 3249 1 1 1 4010 3810 1 1 1 1 1 1 1 1 1 1 1 3083 7282 4175 1 1 1 1 3696 2599 1 1 4803 8070 1 1 1 1630 1 4605 1 3243 5395 5838 1 1 5021 5645 3587 4144 7207 4351 1 1 6056 5660 1 4445 1 1 8691 8465 296.1185 *296.1353* 296.1353@1.0606692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1353 *296.1383* 296.1383@1.3656707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1383 *296.1445* 296.1445@1.0463836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10083 1 1 1 8822 7587 1 1 1 1 1 1 1 1 13115 13069 1 1 1 1 14640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1445 *296.1471* 296.1471@5.892305 1 1 1 1 1 1 1 1 1 1 1 1 8498 8372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1471 *296.1478* 296.1478@1.2906592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5596 6831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1478 *296.1522* 296.1522@1.0487851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5287 1 4259 1 1 6038 6960 4079 3815 1 1 296.1522 *296.1619* Lactone of PGF-MUM 6492 62579 12952 8384 5126 4869 9040 7170 11520 16245 7406 8077 6819 7467 5428 5549 8862 8400 11721 6913 2780 15274 22732 24852 5974 6776 9289 4818 1 5606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2772 3022 3403 1 1 1 1 6166 6273 1 1 1 1 1 1 4726 4614 4637 10589 4241 3496 1 1 5022 10529 4686 8802 6507 6294 1 1 8603 7002 7057 6482 296.1619 *296.1649* 296.1649@1.1615056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3440 10629 1 1 1 2969 1 1 1 1 6693 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 1 5882 6677 6934 7243 1 1 4174 8608 1 8628 9459 4717 8084 4678 1 1 2436 2829 5260 1 9047 1 7268 9028 7738 7891 1 1 4122 3686 296.1649 *296.1698* 296.1698@1.1656952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 8824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1698 *296.1748* 296.1748@1.1642163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 1 1 1 1 1 1 1 1 1958 1 3312 1 1 1 1 1 1 1 6318 5498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1748 *296.1778* 296.1778@0.8325156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1778 *296.1844* 296.1844@1.1742057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1844 *296.1928* 296.1928@1.1625637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1928 *296.1966* 296.1966@1.0264094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6659 7443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1966 *296.2001* 296.2001@1.1143304 1 1 1 1 1 1 1 1 16852 16578 1 1 1 1 17720 15273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13512 11986 89694 89981 1 1 16550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2001 *296.2094* C16 H28 N2 O3 19302 17932 9185 1 1 1 23091 17304 1 1 1 1 19308 22737 1 1 14162 20057 25605 25914 1 1 1 1 20945 21718 22389 24163 26864 32528 1 1 26011 45007 8186 10132 1 1 1 1 13869 1 1 1 20731 1 1 13645 1 1 36469 31917 12843 12591 18649 1 25850 26238 1 1 14626 14860 1 1 1 1 1 1 1 17726 25053 25817 1 13981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15618 16632 296.2094 *296.2153* 296.2153@1.1100731 1 1 1 20929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24123 1 1 1 1 1 1 1 1 1 1 1 1 1 23632 1 1 1 1 1 1 1 1 1 1 22067 20212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23099 18628 1 1 1 1 1 1 296.2153 *296.2163* 296.2163@1.1143036 1 1 1 1 1 1 1 1 1 1 21820 15100 1 1 1 1 1 1 1 1 29439 22209 23588 22171 1 1 1 1 1 1 1 15159 1 1 1 1 1 1 1 1 1 1 1 1 1 25026 16564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17841 1 1 1 1 1 1 1 20593 22008 1 1 34185 25784 1 1 1 1 296.2163 *296.2245* 296.2245@1.1023879 1 8245 1 1 11863 14504 1 1 1 1 1 1 1 1 1 8885 1 1 8624 9146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23833 24237 19762 31114 1 1 12170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28241 1 1 1 1 6525 5780 1 1 1 1 1 1 1 1 31986 27207 29731 20138 1 40618 1 1 1 1 1 1 1 1 1 1 296.2245 *296.2331* 13S-hydroxy-9E,11Z-octadecadienoic acid 6652 1 10063 1 5898 7214 16277 14680 3246 3442 1 7687 11687 8805 8315 1 6852 1 1 1 1 8343 1 1 1 1 7093 1 6648 1 29560 21168 15050 1 8010 9312 4815 9161 34547 21211 8761 1 5130 6906 10085 6359 15531 19369 52597 51239 9754 14046 12442 13984 6550 1 15895 14587 46075 31504 20036 17579 6581 6831 1 1 12393 11124 6508 6085 19779 166888 1 4114 1 9280 1 12964 26308 1 12817 12544 1 4414 1 9798 57187 56940 8752 7680 296.2331 *296.2336* 296.2336@1.0614492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2336 *296.2353* 296.2353@0.81752294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4956 5056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2353 *296.2645* 296.2645@1.0361671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1641 1 1 296.2645 *296.816* 296.816@0.8121189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.816 *296.8437* 296.8437@0.82435185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.8437 *296.872* 296.872@0.80611336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.872 *296.9627* 296.9627@1.1117184 114179 115850 1 1 9089 8830 1 1 1 1 55441 52988 1 1 1 1 1 1 1 1 179127 178044 82264 82980 78704 79562 1 1 1 1 17806 19563 88292 89050 62787 61964 35547 35723 1 1 1 1 1 1 1 1 1 1 1 1 263411 252478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31377 30197 1 1 1 1 1 1 1 1 17558 17188 1 1 1 1 24449 24619 95873 95524 1 1 1 1 296.9627 *297.021* 297.021@1.1511278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 18796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.021 *297.0408* 297.0408@1.1204178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.0408 *297.0814* 297.0814@3.034005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7646 6575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7461 7489 1 1 1 1 1 1 1 1 1 1 1 1 13347 11609 1 1 1 1 1 1 1 1 297.0814 *297.0893* 297.0893@2.851836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6123 6046 1 1 1 1 297.0893 *297.1054* 1-Methylguanosine 7803 7407 6378 5145 5937 6514 9215 9815 7361 8200 6418 9104 1 1 3283 3387 1 1 1 6185 4209 5850 1 1 5338 1 4581 4574 1 6871 2960 4478 5073 6064 4026 3080 7225 5958 3334 4329 3960 4695 5374 5633 3855 4026 6061 6118 5475 6898 7600 7605 1 1 4234 6741 10124 10442 8710 8128 7503 6738 4244 3789 7077 7372 5603 4948 7717 7064 7203 7687 2705 3365 4058 1 6968 7243 5947 6470 6047 5429 8697 10124 6911 7258 4156 4612 7192 7624 HMDB01563 C04545 297.1054 *297.1058* 1-Methylguanosine - 2.064858 7784 1 5364 6938 9270 7637 1 7878 10257 11006 7169 4987 1 11371 1 1 1 1 10552 1 10231 9115 10000 6283 1 9953 10388 10034 9421 9534 9721 8718 9787 9841 1 1 1 13104 7158 1 7069 8255 18738 21098 8267 8727 1 11683 10067 8475 8679 8805 8798 8169 11823 9363 10578 10765 10678 10879 12416 12361 5757 6378 13402 13398 17869 18287 8945 9475 14657 13762 14318 12899 9913 8810 10515 1 8747 9127 9447 9405 12728 13083 1 9493 1 6805 1 5689 HMDB01563 C04545 297.1058 *297.1072* 297.1072@2.0208094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1072 *297.118* 297.118@6.590138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 2473 2394 2070 1 2437 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.118 *297.1851* 297.1851@0.84214675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1851 *297.2163* 297.2163@1.1087536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.2163 *297.2432* 297.2432@0.8121189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.2432 *297.3182* 297.3182@0.8122302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3794 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.3182 *297.3478* 297.3478@0.80333555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.3478 *297.8465* 297.8465@1.0210099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 2884 1 1 1 1 297.8465 *297.848* 297.848@0.95595646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5586 1 1 1 1 1 297.848 *297.8887* C10 H2 O3 S4 18144 18839 9887 10308 12211 15463 10363 9864 13445 13749 20683 19399 13398 13999 12463 11255 11261 14590 16322 12875 13828 13457 10897 10849 16304 13500 12270 13872 15341 12122 12264 11855 13266 15975 17309 17420 11002 13392 12220 12480 14580 12050 9606 10325 10038 10708 9850 9615 9768 11799 10341 9998 14446 11270 11953 9446 11669 13972 12329 15144 17631 16788 17968 18495 11388 14385 13936 10745 9581 12180 15183 18916 12995 10267 13724 13836 10127 13115 16665 16736 15515 14579 17200 16610 14665 10728 15564 15970 11791 11863 297.8887 *298.0158* 298.0158@1.2940437 1 1 1 1 1 1 4773 3988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0158 *298.0158* 298.0158@0.6827098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1904 2414 1 1 1 1 298.0158 *298.0281* 298.0281@1.1263671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0281 *298.0371* 298.0371@0.72492975 1 1 1 1 1 1 1 1 9754 9585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 1 1 1 1 2202 1 1 1 1 1 298.0371 *298.0439* 298.0439@1.4171354 7409 7843 1 1 1 1 1 1 1 1 4176 4695 1 1 1 1 1 1 1 1 1 5779 1 1 1 1 1 1 1 1 1 1 1 1 10709 16079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17917 15600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8303 13691 298.0439 *298.0443* 298.0443@1.2083684 37784 41543 1 1 1 1 1 1 1 1 31617 35034 1 1 1 1 1 1 1 1 13876 8246 1 1 1 1 1 1 1 1 1 1 1 1 85277 82349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96268 30953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10441 15478 298.0443 *298.0443* 298.0443@1.316861 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50255 29293 298.0443 *298.0448* 298.0448@1.2215506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0448 *298.049* 298.049@0.72133684 1 1 1 1 1 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.049 *298.0527* 298.0527@1.294129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0527 *298.0544* 298.0544@0.7144389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7258 1 1 1 1 298.0544 *298.0554* 298.0554@1.2085228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11251 13273 3808 1 7733 7433 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 2811 2963 1 1 1 1 6128 6071 1 1 1 1 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0554 *298.0584* 298.0584@1.1653097 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0584 *298.0608* 298.0608@0.7150488 1 1 1 1 1 1 1 1 1 1 4407 4101 1 1 1 1 1 1 1 3490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0608 *298.0765* 298.0765@0.7095444 1 4036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5135 4922 1 1 1 1 1 1 1 1 1 1 1 1 2897 1 6509 3399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 298.0765 *298.0804* 298.0804@1.1025653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15738 11693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10675 9489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8742 7692 1 1 1 1 1 1 1 1 1 1 7415 6782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0804 *298.0843* 298.0843@0.7092296 4600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8465 8219 6758 7883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5149 2789 3304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9575 9570 1 1 1 1 1 1 1 1 298.0843 *298.0861* SAPPANONE A 7-METHYL ETHER 15288 14819 9289 2889 11720 11676 1 1 1 1 16622 17227 1 1 6716 5106 1 1 9438 9602 14073 12759 1 1 11337 13542 16996 20537 19927 3372 1 1 16365 16443 1 1 21392 17966 16430 17186 15550 15370 20333 19467 16441 16345 14964 10050 12555 15682 6095 1 11866 7106 19198 20216 15819 16837 15397 13871 16140 11677 15208 10151 16048 14859 14211 17351 7824 14090 12438 15158 18501 9735 1 1 14458 14654 13377 10822 11707 11979 1 1 24181 22564 14233 11916 17210 8314 298.0861 *298.0879* 298.0879@2.8976743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 16992 1 1 1 1 1 1 1 3603 1 1 1 1 1 1 1 1 1 5822 1 1 3365 1 1 3745 1 1 1 1 1 1 1 4765 1 6042 1 1 3952 1 2852 1 1 1 1 8881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9745 298.0879 *298.1357* 298.1357@2.824776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5687 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1357 *298.1435* 298.1435@2.814194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1435 *298.1478* 298.1478@1.2024262 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1478 *298.1554* 298.1554@2.8431246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5416 5315 1 1 1 1 1 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 1 1 1 1 1 1 6355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4497 1 1 1 7130 1 298.1554 *298.1577* 298.1577@1.2928724 1 1 5565 1 1 1 1 1 4506 5837 1 1 1 1 1 1 1 1 1 1 1 1 8032 8092 1 1 5938 1 1 1 4884 6750 6415 3422 1 1 8506 6346 5935 4129 1 8788 1 1 1 1 6285 6407 1 1 1 1 1 6077 1 1 1 1 1 5721 1 1 1 1 1 1 1 1 1 1 5228 1 1 1 1 1 1 1 1 1 8274 6183 1 1 1 7691 1 1 1 1 298.1577 *298.1578* 298.1578@1.6474638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5789 1 1 1 1 298.1578 *298.1579* C12 H22 N6 O S - 2.0944154 5543 4295 11162 11072 8434 7263 8294 8903 6316 5324 1 6823 10152 7037 7074 8774 10822 9467 6894 1 1 7264 12184 7955 10052 8798 4754 10791 11877 7166 9829 7278 12631 12206 1 1 3447 7512 7028 10577 1 5716 13403 11321 6829 9453 4824 7648 2414 6369 1 6236 9225 7354 9961 7591 1 1 7711 8106 8203 3877 6983 6756 6240 6956 3108 6388 8704 7142 3926 4460 8794 10315 5950 1 3401 1 1 3447 6870 6263 5548 7529 7711 6594 5278 7370 4665 1 298.1579 *298.1582* C12 H22 N6 O S 14996 15433 14539 15852 18137 17317 28148 28208 18194 19304 19226 18860 12454 10436 12451 12039 12085 11682 18922 16091 14941 16770 11624 9584 14606 14886 12716 13378 11780 14239 15392 14541 15950 17027 12614 11238 16105 13915 16622 15742 14687 14422 13648 15601 15031 15149 13921 13161 14736 15028 19311 18393 10571 9592 13571 13516 18637 21307 17308 16010 15403 15454 11097 11418 15757 12792 11648 12746 12911 15531 9510 9121 9666 8949 10040 10026 14771 14176 17633 19007 16172 16185 20064 19383 20658 23710 9786 10700 19814 18682 298.1582 *298.1587* 298.1587@2.10779 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5999 1 1 1 1 1 1 1 1 1 1 1 1 5347 1 1 1 4147 1 6568 2749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4635 1 1 1 2885 1 1 4810 1 1 4989 1 1 1 1 1 1 1775 1 1 1 1 1 1 298.1587 *298.159* C16 H26 O3 S 29609 31224 14504 21887 76527 74899 48774 50549 18679 19843 71786 76938 57002 37054 36069 11574 41437 41035 70887 71810 14519 15613 42832 40433 58122 43290 25882 26374 45305 83632 42804 41000 60298 61983 54761 56662 17865 17934 24833 40586 15603 15197 15744 17300 42459 42426 17884 22189 16987 17698 34226 28068 27396 21091 55284 62099 30363 30417 27284 22482 27020 25705 45136 48569 41215 41448 59457 56644 42432 49136 37718 32274 15692 16472 25539 25133 48742 52706 60397 60285 87116 91123 43775 47975 91197 90558 64594 65400 21646 29804 298.159 *298.1591* 298.1591@1.1456525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 2760 3360 1 1 1 1 1 5307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1591 *298.1599* 298.1599@1.0458192 1 1 2415 1 1 1 1 1 3344 1 1 1 1 1 1 22803 1 1 1 1 18544 1 1 6019 1 10401 4603 1 38790 1 1 1 4860 5978 1 1 11219 7563 15809 1 1 3779 143836 95858 1 1 143899 1 11956 9401 1 1 1 3868 1 1 1 1 1 4262 1 1 1 1 1 1 1 1 1 1 1 9938 1 1 1 1 1 1 1 1 1 3780 1 1 1 1 1 1 1 1 298.1599 *298.1601* C9 H26 N6 O S2 2056 1 1 1 4868 6839 1 1 1 1 4890 1 1 7017 1 6165 17582 19806 9110 8247 1 1 1 5163 1 3073 4135 1 7222 5111 2946 4171 3101 6242 2535 2082 5097 4452 4181 2499 5867 1 1 1 4780 5806 1 1 1 1 1 1 1 1 1 1 5983 1 1 1 6155 3988 1 1 7875 7012 4660 4476 3340 1 1 1 1 1 1 1 2654 1 5052 1 1 1 1 1 3422 3408 1 2951 1 1 298.1601 *298.1619* 298.1619@1.0357457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1619 *298.164* 298.164@2.6823895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3019 1 1 1 1 1 298.164 *298.1641* 298.1641@1.6428328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6733 6170 1 1 298.1641 *298.1654* 298.1654@1.3979135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1654 *298.1715* 298.1715@1.1549017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3017 1 1 1 1 5949 1 1 1 1 1 1 1 16275 16925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4326 1 1 1 1 1 298.1715 *298.1717* 298.1717@1.4654253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5701 4995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9553 8162 1 1 1 1 1 1 1 1 5141 1 1 3327 1 1 1 1 1 1 4216 6499 8564 7946 10029 5742 7136 8284 4114 6532 11865 9418 7511 13250 9322 8049 5880 1 13608 8593 12295 11065 8799 10835 11896 15996 8195 5983 7686 7469 298.1717 *298.174* 298.174@2.6701283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4663 4483 1 1 1 1 1 1 5921 6179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.174 *298.2167* 298.2167@1.1059897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89134 87981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2167 *298.2228* 298.2228@1.1257521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2228 *298.2293* 298.2293@1.1064287 1 1 1 1 1 1 1 1 8809 9372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9421 1 1 1 1 1 1 17072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17583 30602 298.2293 *298.2338* 298.2338@1.1052902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2338 *298.2408* 298.2408@1.1118332 1 1 12516 1 1 1 1 1 1 1 1 1 1 21470 29765 30530 1 1 1 1 1 1 1 1 1 21239 1 1 1 1 1 1 1 1 8844 1 1 1 1 1 25379 1 1 1 1 1 33227 1 1 1 1 7741 1 1 1 1 45402 33386 1 1 1 1 1 23950 1 1 21198 1 1 1 1 1 14741 1 1 1 1 1 1 1 1 1 1 1 5073 8308 1 1 1 1 298.2408 *298.2431* 298.2431@1.9769777 1 1 1 1 1 1 3574 3418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1709 3217 1 1 1 1 2497 1 1 2164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4245 2192 1 1 3159 1 4172 2362 1 1 1777 1 298.2431 *298.2463* C14 H30 N6 O 48701 48468 28653 41698 56347 11691 32805 51152 15836 15368 41990 76842 45463 24185 13858 12539 44706 44560 55698 57898 58692 68343 36000 35948 33029 13975 36498 36275 54816 54310 92937 94579 80726 80549 18117 27252 56507 22568 164726 16471 10363 35030 51488 52269 54476 55886 20633 55963 39428 41875 95270 63878 44857 43144 36087 35990 16320 43020 96923 95964 43295 47631 22551 1 8255 11283 33922 62082 24386 32826 78845 79782 18224 43290 32894 64922 43952 43845 69951 53979 50258 39531 35983 35795 55320 51421 11087 130831 7788 1 298.2463 *298.2491* 298.2491@1.1063752 1 1 1 1 1 83481 18163 1 1 1 1 1 1 1 1 1 1 1 1 1 8904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25678 1 148417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18153 1 1 1 1 40145 1 8725 1 1 1 1 121830 1 1 1 298.2491 *298.8731* 298.8731@1.2129331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1608 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 1733 298.8731 *299.0075* 299.0075@0.84851754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.0075 *299.0191* 299.0191@1.1293733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.0191 *299.0265* 299.0265@2.1467736 6379 4715 1 1 1 1 1 1 1 1 8893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9766 5909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10030 13312 299.0265 *299.0267* 299.0267@2.1234312 2333 4376 1 1 1 1 1 1 1 1 1 9373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.0267 *299.0788* 299.0788@2.717565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143030 174691 1 1 1 1 299.0788 *299.0788* 299.0788@2.8090868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42557 1 1 1 1 1 299.0788 *299.2504* 299.2504@1.101217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2504 *299.8873* 299.8873@5.5571012 1 1 2377 2257 2767 1 2382 2153 1 1 1 1 1 1 2661 2495 2644 1 1 3030 1 1 2304 2467 1 2742 2703 1 1 2859 2889 2764 2778 1 1 1 2190 1 2904 2735 1 2714 2375 2029 1 2268 2166 2102 1 1 2300 2671 1 2584 1 2089 2371 1 2474 1 1 1 1 1 2761 1 1 2197 1902 1 3588 1 1 2524 1 1 2425 1 1 1 1 1 1 1 1 2812 1 1 2782 2733 299.8873 *299.9959* 299.9959@2.6070542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44682 33907 1 1 1 1 1 1 36834 1 1 1 1 1 1 1 1 1 1 1 22767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7858 1 1 1 1 1 1 1 1 17852 1 1 1 1 1 1 1 1 1 299.9959 *299.9959* 299.9959@2.807015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29113 23830 6601 9337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5229 1 1 1 1 1 1 1 1 1 1 1 4131 1 1 1 1 1 1 1 1 1 1945 1 1 14540 13302 1 1 1 1 1 1 7360 6015 1 10306 1 1 1 18609 8659 8729 1 1 299.9959 *299.9959* 299.9959@2.6618397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.9959 *299.9962* C12 H4 N4 O4 S 23489 7595 1 1 6396 6280 1 1 1 1 1 1 1 1 1 1 1 1 4124 6276 17107 17012 1 1 7840 7025 9023 44488 15801 16725 1 1 12974 13530 1 1 5365 31346 13060 45776 6607 7040 1 1 17042 13331 1 1 1 1 1 1 1 1 6473 5064 14472 12585 11393 14391 1 1 3100 3899 16297 13146 15303 10677 7039 5252 16798 10377 5907 6164 1 1 1 1 27237 31042 10264 39844 1 1 35363 25723 8357 9013 1 1 299.9962 *300.0311* 300.0311@1.6451856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5620 5235 1 1 300.0311 *300.0364* 300.0364@1.3106433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4639 1 1 1 300.0364 *300.0461* 300.0461@1.248592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3874 1 1 300.0461 *300.0526* 300.0526@1.261698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0526 *300.0671* 300.0671@0.7134054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0671 *300.0748* 300.0748@0.71425116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0748 *300.0751* 300.0751@5.8374314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4791 4849 1418 1911 1 1 1486 1447 1416 1528 1544 1 4466 3664 1 1 1 1 1 1 1 1 1734 1758 1 1 1488 1308 1315 1 1 1 300.0751 *300.1043* 300.1043@1.058879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1043 *300.1094* 300.1094@1.054595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1094 *300.1238* 300.1238@5.385591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6484 6957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1238 *300.1244* 300.1244@1.1612486 1 2442 1 1 1 1 2771 2935 1 1 2329 1 1 1 1 1 1 1 3977 4603 1 1 3571 3496 1 1 1 1 1 1 1 1 3683 5639 1 1 1 1 4508 3408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2761 3215 1 1 4295 5795 1 1 4987 1 1 4393 3414 1 3338 3748 300.1244 *300.1276* 300.1276@1.1640098 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3577 1 1 1 1 1 1 1 1 300.1276 *300.1876* 300.1876@1.2915933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1876 *300.1927* 300.1927@2.6671336 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4885 1 1 6156 7809 1 1 1 1 1 1 1 1 5212 4978 1 1 1 1 1 1 1 1 2855 3741 1 1 1 1 3737 3484 1 1 1 1 4612 1 1 1 1 1 13347 12014 4402 5064 1 1 1 1 13208 13394 2677 1 3275 1 1 1 1 1 1 1 1 1 5174 6442 3265 3608 1 5302 1 5867 1 1 4267 5330 300.1927 *300.1935* 300.1935@1.1620402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6040 6527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1935 *300.2237* 300.2237@1.0484443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.2237 *300.231* 300.231@1.0371748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.231 *300.2373* 300.2373@1.066588 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42453 43597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1924 5875 1 300.2373 *300.2448* 300.2448@1.1115494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5074 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 14311 300.2448 *300.2511* 300.2511@1.0870979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8906 1 300.2511 *300.2567* 300.2567@1.0956454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11701 15547 1 1 1 1 1 30458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3159 1 15446 15789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.2567 *300.2571* 300.2571@1.974081 1 1 1 1 1 1 2199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.2571 *300.2624* C17 H36 N2 S 17978 18656 13090 13400 18854 19144 26452 26588 18205 18192 31146 31804 25581 24290 31716 30053 27085 27034 18165 18535 29350 27869 27374 15550 17006 17423 4250 1 22113 22095 42772 43886 23069 1 15241 15774 24092 23296 67872 67487 14342 14009 23610 22717 19995 19682 24103 24242 17600 17453 23370 24052 25015 25396 14639 15143 1 1 29928 29992 2645 1 9506 17123 29380 27807 26852 21511 1 1 27570 27331 40733 42225 1 1 16259 14837 27774 31573 19323 18448 14414 15363 28388 28775 36140 35799 1 1 300.2624 *300.869* 300.869@1.2130516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1837 300.869 *301.0166* 301.0166@2.8509014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3654 1 1 1 301.0166 *301.0232* 301.0232@2.8764713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0232 *301.0239* 301.0239@2.839423 1 1 1 1 1 1 4584 4324 1 1 1 1 7430 7252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3952 1 1 4328 6042 1 1 1 1 1 1 10910 6664 1 1 14457 14504 7173 9133 1 1 1 1 1 1 6702 6373 1 1 1 1 1 1 1 1 1 1 5933 6672 11360 11469 1 1 7442 6281 1 1 1 1 301.0239 *301.0339* 301.0339@2.8716333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4291 1 1 1 1 1 1 1 301.0339 *301.0384* 301.0384@1.1077372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0384 *301.0452* N-Acetylgalactosamine 4-sulphate 24781 25299 10471 10312 14899 14654 49148 47930 18583 15569 28751 29370 7825 8312 10197 9084 8068 7877 15459 13366 3448 11592 8481 9307 8845 8531 10898 11341 13369 13732 23997 20570 18992 24048 13460 13274 14840 16173 13431 13252 16428 16231 8276 8029 12503 12999 11890 9292 9535 9411 20009 20182 9310 9650 13219 13234 28530 27314 11131 9491 13569 12159 11973 12288 12623 12299 16302 16345 7923 8031 24191 20389 11698 11641 9418 9671 8911 9219 62437 65644 22509 22317 10025 10468 37035 33519 16131 13406 20639 18447 HMDB00781 C16265 301.0452 *301.0455* 301.0455@1.451118 1 1 1 1 1 1 9606 9831 1 1 4966 4625 1 1 1 1 1 1 1 1 9559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 1 1 3850 4332 1 1 1 1 3964 4679 1 1 1 1 1 1 1 1 1 1 1 1 3856 4162 1 1 1 1 1 1 10448 10352 4491 1 1 1 5709 6615 1 1 1 1 301.0455 *301.0463* 301.0463@1.1024935 1 1 1 1 1 1 8720 8466 1 1 4695 4647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5046 4695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 3900 1 1 1 1 1 1 1 1 1 1 1 1 9095 12831 1 1 1 1 1 1 1 1 1 1 301.0463 *301.0512* 301.0512@5.6788125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 301.0512 *301.0526* C14 H11 N3 O3 S 20751 19865 22271 23230 21359 21705 16509 16389 22192 22483 18271 18026 16374 16771 21721 20196 15916 16173 19664 18707 17568 17767 15669 14788 15013 15411 16911 17380 15067 15725 15775 16526 14160 14001 15260 14883 12962 14106 10143 11169 12601 12664 14564 14413 11962 11834 11206 11529 14944 14315 9341 8790 11333 11424 12521 12435 12526 12375 13307 13249 13433 13187 6853 6696 8512 7714 8415 8529 8135 8682 11786 11461 7683 7644 8302 7899 9259 8673 8468 8427 10039 8729 11521 8746 8716 8858 7019 6589 7166 7836 301.0526 *301.0744* 301.0744@0.71382934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 3572 1 1 1 1 1 1 1 1 1 2247 1 1 1 1 1 1 6672 6953 1 1 6010 5597 4550 4479 3084 2897 1 3780 5854 6043 7096 7100 4959 4849 1 1 1 1 1 1 4741 5114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7035 6812 1 1 1 1 301.0744 *301.1242* 301.1242@5.7572565 1 1 1 1 1 1 1 1 2145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1242 *302.006* 302.006@10.784422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.006 *302.0071* C10 H11 Cl N4 O S2 4661 3826 5200 6610 6153 5656 12610 11650 2441 5251 6153 6312 1 1 1 1 1991 3972 4203 5074 4790 4849 1 1 1 3472 3481 2450 2493 4143 5658 6924 5568 6150 1 1 3744 2424 5385 6944 2272 1622 3022 6535 7259 8114 4150 6728 6234 5574 10798 10395 4748 3413 6722 7045 11519 13019 10017 10146 7808 8410 6818 5920 10081 7264 4976 6288 6872 8622 2323 1788 4947 4720 4919 4878 7713 7963 13561 10806 7087 6829 9548 9354 11598 12038 1 1 8964 9450 302.0071 *302.0073* 302.0073@11.962924 1 1 1 1 1 2373 1 3931 4515 1 1 1 2041 1 2514 1 1 1 4655 1 1 3346 1 1 1 1 1 1 1 1 3576 1 1 1 1 6568 1 5355 1 1 1 1 1 1 1 1 1 1 1 8435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5719 1 1 1 1 1 1 1 1 302.0073 *302.0075* 302.0075@11.533209 1 1 1 1 1 4672 1 2946 4932 1 1 1 2578 7991 1 1 1 1 3250 1 1 5498 1 1 1 1 1 1 1 1 1 1 1 11818 1 1 1 1 1 1 1 1 1 1 1 3452 1 1 1 7157 1 1 1 7839 1 4608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 1 1 3216 1 1 1 1 1 1 1 1 302.0075 *302.0075* 302.0075@11.847375 1 1 1 1 1 5051 1 2198 3671 1 1 1 1 7469 4386 1 1 1 4174 1 1 6485 1 1 1 1 1 1 1 1 8670 1 1 1 1 3047 1 1 1 1 1 1 1 1 1 7243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9585 1 1 1 1 1 1 2426 1 302.0075 *302.0075* 302.0075@12.174974 1 1 1 1 1 5970 1 6564 5462 1 1 1 4780 6317 1 1 1 1 2739 1 1 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 13967 1 1 1 1 1 1 1 1 1 1 1 1 1 10828 1 1 1 5090 1 9330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10400 1 1 1 1 1 1 5474 1 302.0075 *302.0075* 302.0075@12.982623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0075 *302.0077* 302.0077@11.987556 1 1 1 1 1 19585 1 1 3016 1 1 1 1 1 1 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0077 *302.0078* 302.0078@12.5716305 1 1 1 1 1 6482 1 4590 2014 1 1 1 3279 12070 1 1 1 1 2801 1 1 3318 1 1 1 1 1 1 1 1 5586 1 1 1 1 4857 1 1 1 1 1 1 1 1 1 2496 1 1 1 6681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12939 1 1 1 1 1 1 1 1 1 1 6494 1 1 1 1 1 1 1 1 302.0078 *302.0081* 302.0081@0.949454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0081 *302.0104* 302.0104@1.6431336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4505 4615 1 1 1 1 302.0104 *302.0611* 302.0611@1.0840431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 1 1 1 1 1 1 1 1 1 1 1 302.0611 *302.0897* 302.0897@2.8481145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136281 1 1 1 1 1 302.0897 *302.091* 302.091@2.7135634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068675 2013191 1 1 1 1 302.091 *302.1121* 302.1121@1.2546258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75385 78459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1121 *302.1154* 302.1154@1.1565356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41515 39001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1154 *302.1224* 302.1224@1.0906398 1 1 1 1 1 1 1 1 1 1 1 1 3269 3492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1224 *302.1257* C8 H22 N4 O6 S 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1561 1 1 1864 1608 1 1 1 1 2147 2266 1351 1664 2001 2569 1 1664 1 1 1 1 2467 2703 1 1 1 1593 2682 2878 1 1 1485 1571 2077 2580 2585 2575 1982 2292 3000 3278 2995 2469 2627 3118 5670 6496 1 1 3253 3090 4374 4245 2985 2626 6954 7456 2003 2484 1756 1938 2502 2999 2166 2449 3974 3247 4842 5220 2953 3604 2313 2287 2116 1808 302.1257 *302.1264* 302.1264@0.7261036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1264 *302.132* C13 H23 Cl N4 S 4694 4365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4899 1 1 2989 5661 5954 2926 1 1 1 1 1 1 1 2950 1 1 4503 5965 1 1 1 1 1 1 1 1 4744 1 1 1 1 4987 1 1 1 1 1 1 5841 6598 1 4244 4732 4600 1 1 4199 4705 4116 1 1 1 1 1 1 4717 11101 10862 5134 5155 4232 3965 4945 5152 4428 4624 302.132 *302.1398* 302.1398@1.1943173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6633 3435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4646 1 1 1 1 1 1 1 1 1 1 1 4503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1398 *302.1481* 302.1481@1.2030028 10501 8837 1 1 1 1 7519 7732 1 1 1 1 1 3053 3768 1 1 1 1 1 1 1 1 1 3370 4211 4031 4810 4999 7559 1 1 1 1 1 1 3491 3756 1 1 6753 1 1 1 1 1 1 1 1 1 6192 5638 1 1 1 3987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7412 5356 1 1 1 1 1 1 1 1 302.1481 *302.2042* 302.2042@1.2831525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4906 5244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2042 *302.2073* 302.2073@1.1705484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15098 15407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2073 *302.2138* 302.2138@1.0573605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2138 *302.2254* 302.2254@1.0425023 18566 18777 1 1 1 1 1 1 1 4426 22946 22011 11640 1 1 1 1 1 36120 36151 1 24416 29563 29998 1 1 1 1 1 1 1 1 1 1 1 9932 1 1 1 1 1 1 1 1 30809 32046 19554 1 1 1 15282 1 1 1 1 1 1 1 1 1 6194 1 1 1 20740 1 1 1 1 1 52828 53260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2254 *302.2274* 302.2274@1.0430539 1 1 6693 6955 7113 7956 6214 6090 4268 1 1 1 1 11896 3965 4983 6891 6462 1 1 24488 1 1 1 14291 13435 6696 6280 16858 17091 17491 17211 8579 10113 5236 1 8885 8218 14738 13953 3551 3442 21006 21235 1 1 1 20742 8141 8099 1398 15953 6090 5706 6467 6343 6364 6435 10956 10939 1 5467 22557 4770 1 19887 9291 8797 7949 38022 1 1 6055 6458 12703 13334 12098 12980 13582 14783 13708 14825 7979 7715 9229 9526 23374 23008 6251 5517 302.2274 *302.2328* 302.2328@2.804148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10815 1 1 1 1 302.2328 *302.2341* 302.2341@1.0980542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21576 1 1 1 1 1 1 1 1 1 1 1 302.2341 *302.296* 302.296@2.765603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3702 21416 1 1 1 1 302.296 *302.7755* 302.7755@1.1105204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19286 1 1 1 18743 19319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.7755 *302.8406* 302.8406@0.7687666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3541 3034 1 1 1 1 1 1 1 1 1 1 302.8406 *302.935* 302.935@2.0181978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6599 8751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.935 *302.9364* 302.9364@1.9722745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.9364 *303.0207* 303.0207@2.0937066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.0207 *303.021* C15 H13 N S3 13773 13480 13669 14374 15072 15147 11969 11930 18486 17504 13082 12732 18829 18862 23762 23163 17030 17594 17182 16775 17702 16958 17869 17752 21296 21415 12948 16384 20403 19680 18187 19073 7115 6507 1 4185 23149 23152 19174 18777 22692 23266 8781 8579 12512 11978 20162 19773 19199 19211 19450 18065 20433 21721 19079 19402 20555 18131 16426 16108 21129 21021 20725 21032 12610 13989 17259 15365 21630 22052 15326 15200 9701 9588 21123 21546 20289 20223 17484 17417 17609 16918 11771 11051 13427 13498 17989 17449 11435 11786 303.021 *303.0899* 303.0899@2.8725116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7472 7852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.0899 *303.0906* 303.0906@2.7835088 1 1 7406 7567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3972 3554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4381 4957 1 1 5454 5008 1 1 1 1 1 1 7751 1 303.0906 *303.097* 303.097@2.543491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6210 4544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.097 *303.1121* 303.1121@1.9730676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1121 *303.1131* 303.1131@2.4631593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 5069 1 1 1 1 1 1 1 1 1 1 6842 7556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1131 *303.1813* 303.1813@1.123287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1813 *303.2384* 303.2384@2.7245715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2152 3613 1 1 1 1 303.2384 *303.8614* C4 H7 Cl3 O3 S3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 2252 1552 1672 1624 1 1796 2165 1 1777 1314 1 1891 1730 1374 2478 1757 1897 1 1 1767 2027 1740 2000 1739 1763 1627 1676 1895 2270 1915 1667 2008 2014 1438 1 2049 2047 1829 1967 1930 1928 2124 1605 1779 1848 2459 2037 1807 1973 1781 1878 1776 1821 1772 2440 2159 2574 303.8614 *303.9336* 303.9336@1.9726423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 4120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.9336 *304.0043* 304.0043@1.973865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0043 *304.0058* 304.0058@12.358178 1 1 1 1 1 1 1 1 1 1 1 1 3699 1 1 1 1 1 1 1 1 4120 1 1 1 1 1 1 1 1 1 1 1 5119 1 1 1 4539 1 1 1 1 1 1 1 1 1 1 1 3304 1 1 1 1 1 2537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0058 *304.0058* 304.0058@11.80597 1 1 1 1 1 1 1 1 2140 1 1 1 4319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3196 1 1 1 1 1 1 1 1 1 1 1 3701 1 1 1 3228 1 1 1 6632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0058 *304.0063* 304.0063@11.946539 1 1 1 1 1 1 1 1 1 1 1 1 4765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0063 *304.0177* C13 H9 Cl N4 O S 84251 85065 89720 88798 95738 94550 72725 74645 110049 104674 81520 83407 121849 122282 154778 148473 108978 109381 108486 108413 116423 109518 114911 112661 133983 134275 106417 106279 125526 127454 116117 115637 39035 40200 24622 24070 145452 149601 118493 120079 140911 151124 55372 54041 77101 73770 122953 129501 118876 122495 123961 119897 131904 135792 121141 116873 123800 116967 106778 103844 133266 135041 128396 129012 78593 80952 103802 101291 138456 136819 94574 96628 58446 57130 133576 133461 120325 128899 114007 110910 113326 106293 72923 70505 81717 77762 110215 107777 68561 70413 304.0177 *304.023* 304.023@1.1064427 1 1 1 1 1 1 14445 15956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4975 5482 7700 7656 1 1 1 1 1 1 1 1 1 1 1 1 6029 4959 1 1 1 1 1 1 1 1 1 1 3383 4552 1 1 10061 10281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11382 11707 304.023 *304.0717* 304.0717@1.1556407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5227 1779 1 1 1 1 304.0717 *304.0859* 304.0859@4.7426257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8302 8539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0859 *304.0865* 304.0865@3.960857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15647 16235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0865 *304.145* 304.145@1.1537554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3493 2810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.145 *304.1565* 304.1565@1.1518455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1565 *304.1666* 304.1666@1.13644 3951 4028 1 1 1 1 1 1 1 1 4506 4054 1 1 1 1 1 1 9740 9191 2978 3581 3469 5074 1 1 1 1 5368 4393 1 1 1915 1 1 1 1 1 1 1 1 1 1 1 4970 5336 2447 3741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35767 32594 1 1 1 1 7417 8036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1666 *304.1751* 304.1751@1.1337011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1751 *304.2375* 304.2375@1.0909082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 1 1 3474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4261 1 1 1 1 1 1 29767 1 1 1 1 1 1 1 304.2375 *304.2388* 4Z,7Z,10Z,13Z-eicosatetraenoic acid 66168 64829 30236 31086 44867 46327 32735 32754 30531 31028 46822 46591 49174 51420 19623 20228 20936 20993 80297 80571 78469 81213 67695 71267 61284 63691 42096 40952 69310 65564 101453 103625 29464 30048 39662 41324 60214 62514 82010 78700 23992 24081 99567 100555 54615 56188 76622 75283 30265 32346 158502 155499 26997 25784 29658 30561 67405 65947 64619 63403 39033 39791 1 22386 31105 32661 42362 40846 37989 1 90410 89805 31302 31331 73452 72835 83454 84513 63639 65515 61745 60380 51030 52972 36776 37008 255787 260512 27382 26375 304.2388 *305.0073* 305.0073@3.466827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5514 5228 1 1 1 1 1 1 1 1 1 1 305.0073 *305.0192* 305.0192@2.1034522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.0192 *305.0441* 305.0441@1.1260742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7310 8014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.0441 *305.1617* 305.1617@2.090201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.1617 *305.1622* 305.1622@1.9777138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2757 8936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.1622 *305.242* 305.242@1.0369272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4157 1 1 1 1 1 1 6802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.242 *305.8595* C5 H4 Cl2 N2 O S4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1783 1 1 1 1287 1919 1740 1 1 1398 1435 1448 1672 1775 1788 1782 1 1451 1 1579 1689 1535 1669 1622 1633 1925 1612 1570 2208 1580 1992 1914 1800 1451 1 1898 1722 1497 1612 2006 2057 1801 1941 1444 1646 1835 1873 1567 1673 1 1667 1824 1579 1632 1497 1947 2017 305.8595 *306.0154* 306.0154@2.102017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9755 1 1 1 1 4006 1 1 1 1 1 1 1 1 306.0154 *306.0411* 306.0411@0.9118319 5769 5502 4755 12403 4313 4195 1 1 1 1 1 1 1 1 2350 1 2526 1 1 1 1 1 1 1 1 1 1 1 12319 13032 1 1 1 1 1 1 1 1 1 1 6867 6444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 5100 4812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13330 13202 1 1 1 1 1 1 1 1 306.0411 *306.0418* 306.0418@1.2188865 1 1 1 1 1 1 6945 7646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0418 *306.0426* 306.0426@0.846992 1892 2322 1 5309 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5130 4991 1 1 1 1 1 1 1 1 306.0426 *306.0446* C8 H10 N4 O9 13897 13558 12063 12673 17356 16429 15884 14818 16969 17230 14884 15066 14271 15200 6900 7544 6383 6858 14419 14075 14765 15103 11802 11481 9503 9542 12904 13887 11725 11849 13301 14579 11673 11692 14479 12379 14110 14322 10293 10610 16166 15950 12664 14092 9034 10517 16052 15192 11507 10933 11805 12069 12846 12714 12061 12620 13649 14471 13610 13653 11543 11729 7532 9396 13121 12514 11444 13034 13800 14009 15362 14999 11675 11974 11737 11529 10171 10154 9059 8875 8612 8555 9809 9526 10365 9979 13205 12427 11952 11259 306.0446 *306.049* 306.049@0.8577749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 1 1 4744 4803 1 1 1 1 1 1 1 1 1 1 3875 3600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.049 *306.0552* 306.0552@1.0826263 1 1 1 1 1 1 1 1 1 1 1 1 12965 12339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0552 *306.0598* 306.0598@3.1903992 1 1 1 1 1 1 9005 5150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3560 3825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 1 1 1 1 1 1 1 306.0598 *306.0604* 306.0604@2.9047856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0604 *306.0608* C11 H15 Cl N2 O6 1 4344 14061 14516 8450 5756 51197 48945 15751 16612 12077 12335 13228 14982 7710 1 1 1 23269 12893 23607 23408 1 5109 11058 7143 6058 5378 7955 7409 30276 32593 11149 11716 9096 5973 12203 12237 3834 3732 9567 6869 4374 1 14662 15216 5246 8054 5017 5465 56240 55798 4569 21732 5488 5499 43370 45260 1 1 1 1 22732 22817 4854 4949 16980 17623 5856 5701 14589 13386 5057 1 14414 14349 13319 13148 28096 31088 32166 29956 24101 31211 13935 13941 27412 22708 5311 5522 306.0608 *306.0612* 306.0612@2.392521 1 1 1 1 1 1 17120 16501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0612 *306.066* 306.066@6.687999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.066 *306.0729* 306.0729@0.85288996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5653 4726 13710 13817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0729 *306.0739* 306.0739@2.8859375 1 1 1 1 1 1 1 1 1 1 1 1 3181 1 1 1 4075 13703 1 1 1 1 11005 5900 1 1 1 1 1 1 1 1 1 1 1 3369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8366 1 1 1 1 1 1 1 306.0739 *306.0746* 306.0746@1.1007372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0746 *306.0751* 306.0751@2.8865676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0751 *306.0803* 306.0803@1.0873804 3126 3295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4132 1 1 1 306.0803 *306.096* 306.096@2.8572533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4152 1 1 1 1 1 1 306.096 *306.1016* 306.1016@1.6035117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44235 20588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1016 *306.1025* 306.1025@1.4020789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177648 180734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1025 *306.1051* 306.1051@2.8445935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 306.1051 *306.112* 306.112@2.6993752 4581 6141 1 3053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.112 *306.1823* Tetranor Iloprost 4911 5337 1 1 1 1 1 1 5203 5615 4221 1 2908 4348 1 1 3233 3845 10436 10251 4883 4965 1 1 4115 4257 1 1 1 1 1 5023 5477 6248 3960 4319 3213 5400 5836 4764 3649 4394 1 1 6909 6975 1 1 1 2815 6435 5927 1 2785 1 1 14014 13575 6720 7341 4893 4758 2997 3177 71663 72523 3278 3617 5910 6045 9570 10301 1 1 5701 5273 1 1 5091 5111 3076 3908 5282 3963 5392 5078 1 1 1 1 306.1823 *306.1875* 306.1875@1.2008021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1875 *306.1914* 306.1914@1.1322231 1 1 1 1 1 1 4258 6493 1 1 1 4484 1 1 15283 5136 1 1 1 1 1 1 6077 1 1 1 2194 3379 6318 1 4508 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 1 12643 12808 1 1 10892 11359 3165 1 1 3278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2181 1 1 3520 12694 1 1 1 1 1 1 1 1 3925 4642 7115 17364 306.1914 *306.1991* 306.1991@1.1294694 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1991 *306.2084* 306.2084@1.1323633 1 1 1 1 1 3198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2084 *306.2522* C16 H30 N6 1 1 5129 5273 7185 7742 6087 5162 2853 2899 6521 6389 8458 8920 4151 3742 4984 4485 10615 10396 14886 14911 9086 9907 8541 8684 1 1 11393 11379 16823 16999 6166 5833 4836 5565 9621 10046 16010 16055 1 1 14493 14829 9965 9768 9468 9800 4228 4301 25184 24874 4840 4960 3983 3946 7123 6804 7993 8484 2808 3737 1 1 5445 5096 5744 5581 5145 5454 10356 10872 3653 4111 10165 10771 10329 9977 9922 9370 10369 10460 7113 7075 8474 8872 43264 44021 3131 3709 306.2522 *306.8628* 306.8628@1.0972769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3352 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.8628 *306.9808* 306.9808@0.7910216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4473 4487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2608 1 1 1 1 1 306.9808 *306.9906* 306.9906@1.3947049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.9906 *307.0255* 307.0255@0.7074567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4536 4549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0255 *307.0406* 307.0406@3.5612972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7654 5389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0406 *307.0635* N-Acetyl-5-hydroxysulfapyridine 1 1 1 1 1 1 3532 3968 1 1 1 1 4573 4371 4413 4634 4206 3930 1 4640 5081 5530 4049 1 5329 5008 4406 4052 1 1 5560 6019 4500 4146 4653 4563 5426 5882 5384 5360 4826 4413 8211 8211 4004 1 1 1 4313 3889 1 4409 4862 5430 5429 5567 4177 5035 4422 5245 1 1 1 1 4858 4825 4240 1 4906 5241 8123 7229 5359 5377 5713 5655 7812 7544 4647 4825 5870 5363 7502 7809 7525 6707 5202 5871 4720 4688 307.0635 *307.0724* 307.0724@3.6932979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16478 14962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0724 *307.0727* C11 H17 N O7 S 13995 13412 15472 15916 15248 14971 16214 15372 16249 15888 13712 13776 12927 13258 14409 13754 13297 13628 13988 14292 13403 13602 13156 12855 12973 13693 11692 11874 10945 11482 13298 13257 11650 11891 12036 11595 10051 10106 9350 8985 9810 10761 9571 9557 9304 8627 8965 8774 9284 9478 10266 10518 9726 10252 8024 8536 8514 8051 7139 6848 6835 6305 8011 7624 6963 6623 7644 6654 7462 8015 7655 7335 6934 6661 7967 7858 6926 6911 6223 6003 6139 6139 6271 5858 6313 6367 5899 5736 4982 5049 307.0727 *307.0822* 307.0822@1.6280651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4107 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0822 *307.1229* Met Thr Gly 11536 12393 6563 6698 5995 5931 8117 8235 8969 8902 10243 10557 4172 4660 7914 8355 6179 6293 16377 16876 6450 6653 5185 4955 9561 9508 10276 10390 8794 8196 3699 3814 10036 11483 9227 8499 7272 7547 10242 9563 9245 9183 6406 7360 9597 9759 8032 8074 5797 5633 5486 5949 6091 6566 6779 6318 10155 10715 7562 7896 7904 8644 6736 7590 5944 5902 7598 7686 6580 7356 10213 9916 6334 5856 5363 6003 5934 6127 9038 9294 9101 8812 7240 6345 7172 7289 4425 4562 7163 6857 307.1229 *307.1766* 307.1766@1.0268238 3268 3180 1 1 1 1 1 3027 4704 4001 1 4942 6006 5674 8352 2593 1 1 36062 36231 9785 8099 4644 4606 19254 18576 1800 19387 4471 7624 1 1 3010 2891 4513 4158 4547 1 1 1 1 1 5568 4505 2386 1 1 1 1 1 1 1 2792 2707 3591 4171 1 1 1 1 1 12991 1 1 1 1 1 1 1 1 3871 3646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1766 *307.2059* 307.2059@1.0553125 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2059 *308.0265* 308.0265@0.7353325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20137 19482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0265 *308.0336* 308.0336@0.7343254 1 1 1 1 1 1 8950 5031 1 1 1 1 20670 22959 1 1 1 1 59907 49080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3629 1 1 1 1 1 1 1 1 3752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0336 *308.0382* 308.0382@0.7824574 1 1 1 1 1 1 1 4086 1 1 1 1 1 1 1 1 1 1 1 9153 1 1 2558 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4222 6254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0382 *308.0554* 308.0554@0.80561996 1 1 1 1 1 1 3198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0554 *308.0566* 308.0566@2.6697075 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 4927 4893 5640 6285 1 1 2074 2276 4731 4637 1 1 1 1 1 1 1 1 3284 3699 5131 4696 1 1 1 1 3312 3425 1 1 1 1 1 1 1 1 1 1 3453 1 1 1 1 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 1 1 1 6141 5989 5384 4434 7673 1 9723 9234 1 5169 1 1 308.0566 *308.0645* 308.0645@0.79582924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4295 1 1 1 1 1 1 1 1 1 1 1 308.0645 *308.0662* 308.0662@2.8831935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 1 1 1 1 1 1 308.0662 *308.0873* 308.0873@2.0560412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5931 6139 1 1 1 1 308.0873 *308.0911* 308.0911@2.6975467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0911 *308.0914* 308.0914@2.6461434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119678 109670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151807 143983 1 1 1 1 1 1 159140 154398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181673 87628 1 1 308.0914 *308.0926* 308.0926@1.354242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 5033 1 1 6335 5238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8639 7936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6629 1902 1 1 308.0926 *308.0927* 308.0927@1.512343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9205 7028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5757 7032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5305 5943 1 1 308.0927 *308.0975* 308.0975@1.1559113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2512 3304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0975 *308.104* 308.104@1.1601788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.104 *308.1092* 308.1092@1.1553881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1092 *308.1223* 308.1223@1.16535 2645 1 1 1 1 1 1 1 1 1 1 3414 1 1 1 1 1 1 5509 5975 1 1 6112 5588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4736 1 1 1 1 1 1 308.1223 *308.1292* 308.1292@1.16795 1 3269 1 1 1 1 1 1 1 1 4432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1292 *308.1339* 308.1339@1.164608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8647 8500 1 1 1 1 1 1 1 1 1 1 1 1 6109 1 4656 4503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3787 1 1 1 1 1 1 1 1 1 1 6546 1 1 4102 4938 1 1 1 1 1 1 1 308.1339 *308.1415* C16 H16 N6 O 1 1 5993 4853 2855 2997 6259 6671 4836 4860 1 1 5157 5736 4920 5787 6657 7639 1 1 1 1 1 1 1 1 3781 3803 1 3831 7292 8699 1 1 1 1 1 1 7048 7852 2431 2610 1 1 1 1 1 1 1 1 6393 1 1 1 3062 3414 6171 5600 1 2537 1 1 1 1 3659 3363 3017 1 2435 3317 1 1 1 1 2479 1 1 2492 1 8140 4730 1 1 1 11969 10950 7792 7544 5798 5897 308.1415 *308.1468* 308.1468@1.1327944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2499 2565 1 1 1 1 1 1 1 1 1 1 1 1 1 4996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3181 1 1 1 1 308.1468 *308.1526* 308.1526@1.1912942 1811 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1526 *308.1605* 308.1605@0.94641155 6965 7848 2623 3118 1 1 2669 2866 4417 13619 1 1 1 1 1 1 7374 2999 1 1 1 1 5823 5990 1 1 310275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25235 4631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1605 *308.1628* 308.1628@1.040078 1 1 1 1 1 1 5730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1628 *308.1658* 308.1658@1.0037575 16068 15156 5527 4667 1 1 12069 10596 9270 8617 7412 6707 5896 5608 1 1 4144 8229 2931 2858 1 1 19635 19762 2583 1 5724 7060 7366 7773 1 1 3212 3595 45655 1 1 1 34951 194330 3804 4482 1 1 1 1 1 1 1 1 1 4526 1 1 1 3991 23066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3152 1 1 1 1 2913 2625 1 1 308.1658 *308.1669* 308.1669@1.0605668 1 1 1 24489 1 1 1 1 30753 1 82615 1 1 1 1 33041 1 5075 3506 3819 1 1 11091 37775 1 9927 1 1 9467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21327 1 3290 1608 1 1 20548 4030 1 1 1 1 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1669 *308.1964* C13 H29 Cl N4 O2 8922 7814 5377 5319 4833 5173 8451 8418 9641 9591 7059 5299 7665 6962 1 8944 7774 7416 11513 11481 8414 8859 10205 1 8818 8542 7526 7446 12632 17454 8737 10458 11275 13681 5789 6065 7030 7301 10971 10473 9314 9552 4521 4013 13418 1 1 1 5225 5533 15226 14924 7558 9881 8114 8654 16334 1 11836 12426 12159 12170 9501 9817 1 1 9712 1 11185 11509 11641 11848 7064 6635 12674 11545 8200 1 9679 9699 8315 8132 6861 7816 13429 13091 9210 8916 10027 1 308.1964 *308.2004* 308.2004@0.806826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45153 41358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.2004 *308.2691* C11 H32 N8 O2 3367 3135 1 1 9247 9220 2671 1 1 1 2979 2436 1 3732 1 1 1 1 5060 4918 6681 6047 3503 3156 3996 4179 6742 8380 4715 5572 6689 7270 6777 7848 1 1 3774 4209 10794 9732 1 1 4126 4282 3355 4227 3806 3622 1 1 7606 7638 1 1 1 2066 5504 5708 4930 5308 1 1 1 1 2224 4102 1 1 1 1 4266 4456 1 1 4132 3919 3957 3331 7223 7116 4356 4237 2779 2846 5146 5540 19886 19928 1 1 308.2691 *308.2704* 308.2704@1.0308617 1 1 1 1 9817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.2704 *308.8587* 308.8587@1.0962749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3027 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.8587 *309.0666* C18 H7 N5 O 3931 3654 1 1 5628 5320 5434 5931 1 1 3775 4121 4818 5036 1 2717 1 1 3654 1 7795 6779 1 2743 4503 4653 4737 5157 6488 6276 8175 7937 6090 6156 1 1 6354 6978 11489 10477 3695 3127 4362 4835 7707 7127 6061 6222 1 1 6462 6099 3866 3964 3583 3417 6673 7592 6692 5138 1 1 3613 4364 4393 4679 3901 3904 1 3444 1 1 4335 4592 7535 7657 5141 5334 7090 8057 4963 5802 4666 4710 5352 5230 12741 12450 1 1 309.0666 *309.072* 309.072@1.5228502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.072 *309.1291* 309.1291@0.99683464 1 1 1 1 2496 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 5128 1 1 2415 1 1 1 1 1 5546 6652 1 1 1 1 1 4559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12731 5052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1291 *309.1347* 309.1347@0.99982935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1347 *309.1557* 309.1557@1.042218 1 1 1 1 1 1 1 1 1 1 1 13518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1557 *309.1988* 309.1988@1.1167763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1988 *309.8459* 309.8459@0.72869575 4530 4505 47700 48493 4436 4321 1 1 4055 3895 30145 7838 2903 2819 28523 7126 1 1 3145 1 6785 6787 5174 5205 6024 6171 3732 3398 6188 6531 4660 5018 22668 5185 5061 4971 3326 3195 7189 6937 3908 3812 4299 4365 5582 5344 4084 3703 7363 6903 10284 42639 6007 5886 5927 6588 4834 4736 6316 6306 4482 4454 6338 6579 2842 1 5281 5097 6026 5964 4481 4371 4309 4314 5036 5114 7138 31025 5215 23731 4349 4587 5208 5512 6986 6925 6496 6946 4944 4604 309.8459 *310.0042* 310.0042@1.1973591 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.0042 *310.0136* 310.0136@0.7163087 1 1 1 1 1 1 27611 26048 1 1 1 1 14047 13219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.0136 *310.049* 310.049@0.71697444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65263 69145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.049 *310.0829* 310.0829@1.1910841 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.0829 *310.0832* 310.0832@1.2560863 1 1 1 1 1 1 5481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.0832 *310.0848* 310.0848@2.0582755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8544 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 4892 310.0848 *310.0861* 310.0861@2.6337721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3246 3716 1 1 1 1 1 1 1 1 1 1 310.0861 *310.1071* PICROTIN 22004 57052 1 10352 24693 17521 17011 24810 18954 10065 1 10526 1 1 1 1 144008 268886 6738 30714 21700 21643 15893 16382 7492 1 13826 19733 1 1 5137 1 11988 11151 1 9101 43182 42817 21149 16881 10858 1 2516 6975 47918 36955 8726 23960 14384 9964 760335 740245 7395 13820 42941 39086 1 1 507523 38586 31076 20974 11920 34103 1 1 30310 28178 1 13936 25861 27740 1 1 25678 31406 10059 9483 19285 1772 1 1 15134 32874 33498 28179 658755 1 18592 1 C09528 310.1071 *310.1071* C15 H19 Cl N2 O3 38398 1 1 15528 17446 24209 9299 1 1 4792 6437 1 4739 4599 1 1 834244 449305 18733 1 1 1 12208 12075 1 3828 22372 14368 4897 3816 9935 11400 13598 14890 9029 5660 20672 23087 2578 5402 4151 9552 7555 6739 27846 29804 14757 1 9228 14997 1 1 1 1 1 1 4096 3879 670540 783464 1 11584 16684 1 18143 18567 13139 21630 1 9167 24293 20061 1 5204 3565 1 14899 15269 8941 16829 5181 5470 17266 1 14429 19078 954173 1556470 1 1 310.1071 *310.1072* 310.1072@2.7916718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5380 6133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27955 1 1 1 310.1072 *310.1073* 310.1073@1.4817721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37393 5046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1073 *310.1081* 310.1081@1.3249217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1081 *310.1084* 310.1084@2.5878105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213815 1 1 1 310.1084 *310.1096* 310.1096@2.493238 9619 9982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3414537 3378734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404595 1401243 1 1 1 1 1 1 4060552 4213060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4393743 4611295 1 1 310.1096 *310.1282* 310.1282@1.974081 1 1 1 1 1 1 3770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1282 *310.1345* 310.1345@1.969 1 1 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1345 *310.1507* 310.1507@1.9766018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 2367 1 1 1 1 3574 2858 1 1 1 1 310.1507 *310.1644* 310.1644@1.0296999 1 1 1 1 4183 3920 1 1 1 1 4331 4523 1 3121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 8838 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 1 1 1 1 23180 1 6359 4344 1 1 3291 4997 1 4365 1 1 310.1644 *310.1665* 310.1665@1.0344162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1665 *310.1705* 310.1705@1.0297643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4319 3812 1 1 1 1 1 2924 1 1 4919 5915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1705 *310.177* 310.177@2.662848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3015 3287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.177 *310.1802* 310.1802@0.85458976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1802 *310.1809* 310.1809@0.8148329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454721 409911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1809 *310.184* 310.184@1.1692163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 4377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.184 *310.1906* 310.1906@1.1757289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1906 *310.2018* 310.2018@1.138734 1 1 2414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3607 1 2185 3822 1 1 1 1 1 1 1 1 2952 1 1 1 3761 4651 1 1 1 1 2822 1 1 1 1 3762 1 1 1 1 1641 1 2802 1 1 1 1 1 5743 4300 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 2987 1 1 1 1 1 1 310.2018 *310.2094* 310.2094@1.1518607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4656 3379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2094 *310.2122* 310.2122@1.0208902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15961 14018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2122 *310.2123* 16-hydroperoxy-9Z,12,14E-octadecatrienoic acid 39563 36657 29278 31000 66225 64902 39252 39518 51136 48680 49373 41007 40205 40832 53947 54395 114490 45399 65277 64197 37364 38692 39910 38752 35181 38421 47902 46699 81724 81354 44343 45703 97576 93753 29997 28883 34641 37867 53831 54768 60286 61872 20723 21226 48693 50387 34799 32146 31487 30166 79287 75962 31295 33491 36929 35852 76673 80429 51727 54238 66007 65114 80365 81447 311781 300487 45401 42769 56637 56017 41938 41426 32948 32367 69303 70793 33978 30952 42749 43053 40550 39363 31508 28941 72729 72842 55738 55896 50369 54182 310.2123 *310.254* 310.254@1.3371359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6104 1 1 310.254 *310.2542* 310.2542@2.5006444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2542 *310.2567* 310.2567@1.4320757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2567 *310.2845* 310.2845@1.0305376 1 1 1 1 3010 2454 1 1 1 1 2065 1 2049 1 1 1 1 1 3620 5330 5196 3731 1 1 1 1 1 1 5290 5525 6065 4555 1 1 1 1 1 1 9042 8497 1 1 2279 2424 5000 3823 3329 2722 1 1 4677 4377 1 1 1 1 2886 4316 4712 5632 1 1 1 1 1 1 1 1 1 1886 3309 3151 1 1 1 1 1 1 6853 5949 1 1 1 1 1 1 10625 11826 1 1 310.2845 *310.3156* 310.3156@1.3344136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4861 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5084 5864 1 1 310.3156 *310.3181* 310.3181@2.4975863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8995 6951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.3181 *310.3277* 310.3277@0.821098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.3277 *310.3617* 310.3617@1.1064901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5178 5162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.3617 *310.8268* 310.8268@2.521037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 1 1 1 310.8268 *310.8658* 310.8658@2.4703324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.8658 *310.873* 310.873@2.5122573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.873 *310.8814* 310.8814@0.7084378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3525 3328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.8814 *310.9159* 310.9159@2.4773364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.9159 *310.9345* 310.9345@2.4922147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.9345 *310.9756* 310.9756@0.84551615 14360 14205 1 1 1 1 87907 87032 1 1 1 1 16769 16608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16251 15975 1 1 1 1 1 1 1 1 1 1 12099 12892 1 1 1 1 1 1 3326 3364 1 1 1 1 1 1 1 1 1 1 1 1 3766 3503 1 1 1 1 27451 26880 1 1 310.9756 *311.0113* 311.0113@1.1245708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16609 15299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.0113 *311.0517* 311.0517@2.0484881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3398 1 1 311.0517 *311.0522* C9 H14 Cl N3 O7 1 1 1 1 1 1 1 1 1 5759 1 1 5944 6316 11163 10169 6288 7194 1 1 4188 1 1 1 12133 11938 5045 4967 5518 5859 1 4601 1 1 1 1 5520 6128 1 1 7521 7386 1 1 1 1 5497 4775 8733 8484 7242 7182 7678 7778 7591 6977 3873 1 6131 5825 4680 5238 5666 5932 1 1 1 1 5928 6377 1 1 1 1 5633 5631 5195 4981 1 1 6826 6264 1 1 4720 4901 8653 4472 1 1 311.0522 *311.0949* 311.0949@1.1018374 1 1 15305 15712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12016 11634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.0949 *311.1102* 311.1102@1.4727983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1102 *311.1206* 311.1206@3.4065611 1 1 1 1 1 1 4032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4354 1 1 1 1 1 2854 1 1 1 1 311.1206 *311.1555* 311.1555@1.2070026 3473 3736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5107 5238 1 1 1 1 2425 2054 1559 1614 5092 4687 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1555 *311.1559* 311.1559@2.318637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2610 2375 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1559 *311.1788* 311.1788@1.0468061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1788 *311.2128* 311.2128@1.1414391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2128 *311.2551* 311.2551@2.468215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 1 1 311.2551 *311.3178* 311.3178@2.4911814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6658 1 1 311.3178 *311.3198* 311.3198@2.4865663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4081 1 1 1 311.3198 *311.3293* 311.3293@2.478407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.3293 *311.8441* C7 H Cl O4 S4 13349 9297 1 1 13220 12954 4907 4461 11330 7716 1 23030 5734 5962 1 21110 3171 2984 5628 5766 21412 21302 15588 15342 17863 19060 6910 7122 19416 19301 14336 14679 1 10885 15490 14891 6339 6429 22220 21426 7083 7188 13022 13977 17002 16852 7506 7855 14379 13698 32869 1 18492 17882 19680 19667 14871 10032 18142 19041 14232 13808 19723 19227 5747 8853 16807 16628 18492 18168 13101 8843 13823 14251 15310 15419 23422 1 16121 1 12963 12676 16703 16370 21898 22084 20098 20487 13891 9435 311.8441 *311.9038* 311.9038@1.1932821 1 1 1 1 1 1 3847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1453 1 1 1 1 1 1 1 1 1 1 3895 8156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14763 13873 1 1 311.9038 *312.0486* 312.0486@2.041863 1 1 1 1 1 1 1 2555 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 21710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13616 1 1 312.0486 *312.0488* C14 H16 O4 S2 7484 8724 10491 10246 9285 9516 8594 5361 12634 11976 5640 7853 14887 14068 25377 22476 14992 15701 7563 7649 9595 9225 8704 8853 6927 28675 11903 10860 13641 14329 9802 10263 1 1 1 1 13395 12791 9006 10604 16243 17809 4760 4867 5842 7401 12558 13028 20770 20104 17028 16745 18903 17518 17590 17640 11145 11208 13722 13763 9507 11808 13744 13284 5416 5572 7051 7480 13298 13595 12272 11575 6349 5734 13768 12569 11608 12504 7701 7808 16087 16004 10663 9649 10530 9795 19449 6336 1 1 312.0488 *312.0503* 312.0503@2.6418965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.0503 *312.0504* 312.0504@2.742357 3559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 2410 1 1 1 1 2582 15738 2523 3466 1 1 1 1 1 1 14992 15306 1 12646 1 1 1 1 1 3033 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 1 1 4267 2610 1 1 1 1 1 1 1 2604 22495 3286 1 1 1 15973 1 1 1 1 312.0504 *312.0506* C13 H13 Cl N2 O5 8074 11862 1 1 3409 3100 1 1 1 1 1315 1804 1 1 1 1 1 1 22731 21754 8539 10308 1 1 2603 2133 2473 3064 5881 4608 1 1 5000 6237 1 1 2542 2930 18699 3209 4858 3559 1 1 7091 3365 1 1 1 1 1 1 1 1 3664 3152 9246 9596 5799 4331 1 1 1 3758 10233 11292 15484 15442 3421 3439 23199 11498 3751 3207 1 1 1 1 22295 23761 2746 22970 1 1 10033 6406 2653 10989 1 1 312.0506 *312.056* C16 H12 N2 O3 S 18850 18463 16279 16605 15863 15656 15734 15439 1 13700 14835 15074 17198 17124 15229 15487 12908 13075 4549 4871 19345 18204 1 11818 16019 16032 14801 14893 10132 9955 10901 9602 12252 11180 11348 10558 12830 4597 10698 11105 10137 9897 17537 17623 10984 10428 8350 8047 9545 9105 1 1 10893 1 13962 14056 1 10083 11493 11223 1 1 1 8381 9271 9158 8792 8852 9342 9682 11417 12218 9740 9643 1 8467 13852 13567 1 1 10331 11014 7314 13227 6453 11185 4095 1 1 7074 312.056 *312.1018* 312.1018@0.85716915 1 1 1 5991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1018 *312.1019* 312.1019@2.874035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1019 *312.1067* 312.1067@1.4803293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1067 *312.1073* 312.1073@2.5725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1073 *312.1591* C16 H25 Cl N2 O2 26631 27232 1 60470 70529 74706 69833 64347 85621 77181 77358 75036 84886 93202 52672 53164 1 131278 52639 1 1 1 60519 57584 1 44328 49099 47103 1 1 1 62598 1 57767 1 50679 1 56930 48082 1 46923 30917 1 1 56298 57513 50697 51777 46071 1 34651 31299 60335 61103 59359 1 1 59060 54772 60713 30878 36154 1 1 1 1 53994 59981 1 51289 87743 83093 1 1 1 67594 68601 69701 1 1 1 1 1 68629 65396 68465 64138 1 1 1 312.1591 *312.1654* 312.1654@1.2506261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57710 1 1 1 1 1 1 1 1 16459 1 1 1 1 1 1 1 1 6086 12669 1 1 1 1 1 1 24935 18933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15966 1 1 1 19314 1 1 1 312.1654 *312.1723* 312.1723@0.9082703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1723 *312.1732* 312.1732@1.6404586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5842 1 1 1 1 312.1732 *312.1739* 2-Hydroxyethinylestradiol - 1.3930613 15073 13505 1 1 16835 18361 7840 5454 16225 16623 1 10110 1 16929 14389 1 19987 18981 1 17617 1 1 1 1 1 1 1 1 1 16783 8085 8551 1 3513 22747 4544 1 3956 20416 7576 1 1 1 5625 1 15185 20897 11740 1 15338 8443 7331 20344 1 1 1 1 1 10328 6925 1 1 1 13541 1 24046 14979 15125 16380 15987 1 3579 14603 1 1 16036 1 1 15592 1 5899 4541 1 1 14527 16071 14249 14549 11860 4824 312.1739 *312.1741* 312.1741@2.8710394 1 6906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 1 1 1 1 1 9792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 1 1 1 1 1 9109 1 1 1 1 1 1 1 7584 1 1963 1 1951 1 1 1 1 1 1 1 1 1 1 9422 1 1 1 1 1 312.1741 *312.1741* 312.1741@1.29985 1 1 1 1 1 1 18278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12673 1 16562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1741 *312.1742* 2-Hydroxyethinylestradiol - 0.6810523 1 8697 13593 10464 1 17583 1 1 1 1 18604 1 15963 12995 17765 10135 8085 1 13768 6178 7533 13328 9621 8643 10221 18504 9279 3764 13366 17273 11421 1 14841 16000 14028 1 11307 15887 12371 1 3552 1 14725 11197 1 12626 1 4974 1 9276 1 11604 1 12188 11800 14118 10456 3247 7230 9709 13105 9592 1 16701 7895 6863 9554 15667 1 1 7275 8229 1 9470 9090 12094 8653 1 10462 1 1 1 1 6610 14437 1 14404 8490 15145 16565 312.1742 *312.1743* 2-Hydroxyethinylestradiol - 1.2492456 8075 8447 1 1 4154 3288 7941 16908 2953 4065 1 4505 1 3081 5521 16915 2089 1 18734 23491 17181 16426 28080 28916 13940 11694 13469 14636 19198 2981 18194 17406 19211 9021 7311 4199 26465 29630 5418 20430 27393 23564 17417 2901 15477 2766 6547 8566 17740 2384 3585 1 3118 15675 15560 15390 14378 15447 12364 4168 20617 20934 15600 4016 27920 47968 2535 3073 4260 4153 16142 2917 3041 16827 16476 3408 16059 14970 2702 12415 19402 18863 16908 13342 5199 4352 7204 3616 3846 15281 312.1743 *312.1743* 2-Hydroxyethinylestradiol - 1.9749593 45977 43967 42119 50593 53578 49146 62159 63669 51495 49483 64635 57516 29817 31010 33577 36210 37934 36341 44894 48868 35068 33991 34556 31776 38844 32950 37784 39045 30643 37066 43509 45797 44177 46856 29207 38576 36290 38856 33502 35444 36374 36450 41147 43674 46423 45245 47597 43006 30067 29653 55470 59259 30906 27926 37036 43191 56936 67697 46253 47715 51461 49595 38162 38824 34452 32159 33281 35161 43157 43962 26810 24082 30155 27909 27121 30921 45396 39984 55706 59184 32231 33271 42806 42437 45111 44001 27081 22261 36602 38087 312.1743 *312.1743* 2-Hydroxyethinylestradiol - 2.0970936 15633 16528 27183 30973 19462 23071 18832 22969 23159 26126 17138 18947 24980 34029 27616 22264 28340 32380 22285 19170 23506 31271 32137 33099 18840 19753 11323 28966 14173 30594 20778 33073 36125 32419 1 1 26820 20104 26320 25879 22984 22262 25384 29918 28739 19743 20608 21719 16632 22540 13982 13948 23699 22448 11261 6930 17129 14992 19746 27006 12695 15454 26209 20837 19936 22135 7296 12115 25088 20826 17287 22407 15763 32641 22154 18840 23433 25876 20164 16839 23621 20800 22153 19870 16465 20546 21570 19993 14784 10209 312.1743 *312.1743* 2-Hydroxyethinylestradiol - 0.9149169 20715 5498 7210 5319 8976 10698 1 1 8976 15915 11766 9590 1 8381 8923 7933 11487 9872 9709 9792 24934 30037 8561 9346 5380 6052 1 6718 10324 1 8888 32865 9052 1 10244 13105 1 25605 8231 1 20193 8479 25824 6368 7041 1 4526 1 14409 7176 1 3341 8974 1 4902 1 4305 1 3991 1 1 3599 14950 4924 1 1 8915 8984 1 8127 1 2821 15084 14990 5069 1 1 7065 8358 8015 1 9522 7802 1 9641 8902 6179 4867 4227 4237 312.1743 *312.1744* 2-Hydroxyethinylestradiol 62799 62754 44272 42624 158612 155057 110811 104634 56996 57045 178627 186967 119778 118648 79041 76445 100962 100604 171648 168321 44469 41358 115364 112497 121623 123863 68769 71429 202291 209717 71070 75655 126000 153295 138079 135678 50334 48761 65605 63139 48491 59536 81410 47590 82725 102385 48728 48124 48668 46915 61640 60269 57540 56792 138741 135601 59261 60985 54392 53108 73774 85072 106406 109575 85928 87010 136489 137346 104034 99720 96414 93443 54986 47526 54737 55566 115157 108668 117505 139575 193978 196536 100515 114892 197738 197174 144035 143651 59072 58172 312.1744 *312.1744* 312.1744@2.1987808 1 1 1 1 1 1 1 10768 1 1 1 1 1 1 1 1 1 1 3473 1 1 1 1 1 1 1 22158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23534 1 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 3476 1 1 1 1 1 1 1 12727 1 1 1 1 1 15239 4502 1 3714 1 1 1 1 1 1 1 1 1 1 3017 1 6155 1 312.1744 *312.1744* 312.1744@2.1101725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1744 *312.1749* 2-Hydroxyethinylestradiol - 2.835231 1 6924 10750 10197 13332 11098 17269 17064 13391 7933 10452 14992 18051 14923 17045 17067 20058 16986 15000 16663 1 8153 17273 20078 4272 6306 11859 12877 10530 12270 18845 1 15440 15872 22011 18070 13663 11726 1 12505 12719 1 1 1 8919 7939 8760 12174 10432 7077 1 1 8270 8445 7688 4882 8006 6884 8074 10747 12013 6415 8949 7109 8742 12577 8816 7703 11463 6607 14658 10210 12700 7373 1 4533 11421 1 10508 7734 11251 10614 17341 17095 3679 13019 11805 9038 12798 7060 312.1749 *312.1765* 312.1765@1.04527 1 18768 25564 13739 1 1 1 1 15457 1 1 1 1 1 1 20616 1 1 20808 1 1 1 1 1 3990 5113 1 18385 1 22047 34045 1 27753 7120 1 1 1 1 35049 1 1 18798 1 31793 22190 1 1 4270 1 13487 1 24386 16093 1 1 1 1 1 18975 1 1 11446 1 9334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26638 1 1 1 1 1 1 1 1 1 10806 12563 312.1765 *312.1831* 312.1831@2.7386231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20872 21499 1 1 1 2642 1 1 1 1 1 1 1 1 1 3342 1 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12237 9062 1 1 1 1 312.1831 *312.1842* 312.1842@1.1667142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4910 1 1 1 1 6604 5201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1842 *312.185* 312.185@2.6799128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5942 7448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.185 *312.1924* 312.1924@1.1601511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6473 5324 1 1 42414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1924 *312.2098* 312.2098@1.1594855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2098 *312.2201* 312.2201@1.1411085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2201 *312.2265* C14 H28 N6 O2 59750 59823 92498 91489 107388 108979 153718 151055 108321 113231 121644 118896 83863 86511 96248 96721 1 1 94062 91283 121059 121226 73656 76455 69703 68952 112738 153939 102668 97634 147211 154612 234602 231666 56475 55478 67615 68322 221428 220574 91870 90821 66556 69346 111915 112984 132012 134467 133687 125636 148403 151652 95711 94476 65540 68812 149464 146555 136487 134988 160823 163139 307036 317498 587008 570078 108739 108140 104164 102248 125054 128179 96491 95165 130274 132644 67408 71954 131731 136757 86814 83372 58557 57174 113450 111684 190208 195998 112557 110537 312.2265 *312.2965* 312.2965@1.0245184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2965 *312.3745* 312.3745@1.1015791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.3745 *312.8044* 312.8044@1.1003977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.8044 *312.8869* 312.8869@1.1685793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3093 7353 1 1 1 1 1 1 1 1 1 1 312.8869 *313.1114* 313.1114@2.47458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1114 *313.1381* 313.1381@2.0187733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14854 12685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12981 10056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18824 1 1 1 1 313.1381 *313.1415* 313.1415@1.988554 1 1 1 1 1 1 1855 1 1 1 1 2900 1 1 1 1 1 1 1 1 2348 4063 1 1 1 1 1 1 1 1 1 1 1 3231 1 3892 1 1 3077 2865 1 1 1 1 1 1 1 1 7206 5575 1 1 3883 4439 1 3528 1 1 1 1 1 1 1 1 3116 4919 1 1 1 1 2911 2922 1 1 1 1 2780 1 1 1 6812 5428 9958 9787 45831 4144 1 1 5326 5633 313.1415 *313.1456* 313.1456@1.9940953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30614 1 1 1 1 313.1456 *313.155* 313.155@1.9764167 1 1 1 1 1 1 35959 23560 1 1 1 1 1 1 1 1 1 1 1 1 18791 16445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12561 18073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10789 9287 1 1 1 1 1 1 313.155 *313.1624* 313.1624@1.9780178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10101 1 1 1 1 1 1 1 1 1 1 1 1 1 17243 6376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7984 6382 1 1 1 2501 1 1 1 1 1 1 1 1 1 1 7102 6237 1 1 1 1 1 1 8395 8834 313.1624 *313.1761* 313.1761@2.112165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6632 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1 1 1 1 313.1761 *313.1768* 313.1768@1.0509301 1 1 1 1 1 1 1 1 1 1 1 110735 1 50330 1 1 1 1 1 5125 1 1 94077 1 1 1 16555 1 52028 1 1 1 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 61287 1 1 1 1 1 1 1 1 2692 1 1 1 1 46273 1 1 1 8366 1 1 1 1 1 1 1 1 1 1 1 88220 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1768 *313.1821* 313.1821@1.0509114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1821 *313.2169* 313.2169@1.1389577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.2169 *313.8425* 313.8425@0.72919893 1 4230 1 1 1 1 1 1 1 3983 1 1 1 1 1 1 1 1 1 2616 1 1 1 1 1 1 3147 3613 1 1 1 1 1 5504 1 1 2791 2878 1 1 3703 3332 1 1 1 1 3540 3682 6986 6863 1 1 1 1 1 1 1 4429 1 1 1 1 1 1 2725 1 1 1 1 1 1 4565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4253 313.8425 *313.9014* 313.9014@1.1933835 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1713 1 1 1 1 1 1 1 1 1 1 3658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.9014 *313.9104* C13 H2 N2 S4 14924 15107 23213 23694 18142 20010 9391 9321 19689 19061 18123 19349 18765 19695 20326 20284 23291 23484 21345 21195 11490 12181 11921 11055 13421 12683 19058 19422 12685 12904 12373 16143 10435 7828 14136 13313 11031 11230 17549 17904 12160 12955 13429 12805 14961 13793 15339 15223 15643 16750 13275 12586 14470 14732 14443 13381 10561 9984 9456 9090 15651 14751 7435 7402 14578 13788 13591 13146 13105 12380 16745 17196 16091 15959 15119 16127 13278 12920 10185 10187 14663 15206 13796 14123 14430 14809 17505 16778 13636 13097 313.9104 *314.0041* 314.0041@0.75086415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3321 4977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.0041 *314.0155* 314.0155@0.70669305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3726 1 1 1 1 1 314.0155 *314.0529* 314.0529@3.4727688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9912 9657 1 1 1 1 314.0529 *314.061* 314.061@4.1687603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.061 *314.0832* 314.0832@1.2839767 1 1 1 1 1 1 1 1 1 1 1 1 32613 33642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.0832 *314.0867* 314.0867@1.0315143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13409 1 1 1 1 1 5290 1 1 1 1 1 14777 1 1 1 12904 1 1 1 1 5796 1 1 1 1 1 1 1 1 1 1 1 1 4438 12645 1 1 1 1 1 1 1 1 1 12308 12746 1 1 1 1 1 1 12039 1 1 14424 1 1 314.0867 *314.1159* 314.1159@1.1993268 1 1 1 1 1 1 1 1 1 1 1 1 6509 5864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1159 *314.1193* 314.1193@6.8366795 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 1 1 1 1 1 3765 3494 2547 1 3440 3432 3985 3873 1 1 1 1 1 1 3402 1 6655 5914 1 1 11453 11268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4037 3596 1 1 314.1193 *314.1259* 314.1259@1.0846806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1259 *314.1266* C10 H18 N8 O2 S 18210 18038 29042 28242 17462 4214 1 1 12276 6635 26638 23717 22120 19952 17279 16174 11363 14382 57251 57585 41957 43102 63264 74437 23745 22445 38299 39494 47666 44931 20164 20077 9342 11225 13696 17561 15319 13808 1 1 1 13729 27890 27975 30737 31217 16151 16970 42356 42607 1 11836 15616 18245 33657 33409 27927 29834 71713 19451 13628 16069 11771 12606 1 1 9647 17044 18327 18700 35767 34093 26790 25971 26166 25934 29910 29325 52438 57163 87828 83696 71561 72361 1 1 34634 34943 92396 91275 314.1266 *314.1273* 314.1273@1.1946176 1 11757 9365 4579 7446 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 7282 11858 11065 1 1 1 1 1 1 1 6924 10017 1 6342 6000 1 1 1 1 1 1 1 1 1 1 4460 1 1 4360 7321 4505 1 1 1 1 1 1 4633 1 9676 9582 1 1 1 1 1 1 1 1 7623 3369 4101 3342 4771 4613 1 5738 8299 7546 15667 12158 7939 8503 1 4017 1 1 6836 5661 14569 13767 314.1273 *314.1296* 314.1296@1.3141966 1 1 1 9541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7099 1 8329 9710 4166 10484 1 1 1 1 1 1 1 1 314.1296 *314.1301* C17 H19 Cl N4 11776 4207 5212 1 1 16712 3851 3489 12257 13289 11736 10368 1 1 1 1 9939 10035 18963 8780 1 1 8979 1 1 1 9536 8685 13912 1 1 10469 25350 25814 6800 6757 1 1 15381 16924 14043 8443 9799 8756 1 1 7004 4236 1 1 10921 1 1 5450 5046 3730 6046 6977 1 1 6713 8484 7566 7964 5532 5715 9615 9916 1 6400 3887 1 1 7225 9899 1 1 1 1 1 5774 6047 9190 4595 12277 12683 4449 4019 1 1 314.1301 *314.1343* 314.1343@1.1737832 1 1 1 1 1 1 9532 6475 1 1 1 1 1 1 6482 5227 1 1 1 1 1 1 1 15840 4174 8725 1 1 1 14686 1 1 7720 1 1 1 1 8969 7072 7240 10090 1 1 1 1 1 1 1 1 1 8560 11139 1 1 1 1 1 1 1 1 1 1 1 1 15213 15260 1 1 1 1 1 4535 6510 1 1 5492 1 1 1 1 1 1 1 1 1 8551 1 1 1 1 314.1343 *314.1398* 314.1398@5.2316794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31043 30914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1398 *314.14* 314.14@5.298932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60490 63039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.14 *314.1401* 314.1401@5.3551207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1401 *314.1497* 314.1497@2.0276926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1497 *314.1542* 314.1542@2.025508 1 1 1 1 1 1 1 1 1 1 1 6441 1 1 1 1 1 1 4834 5039 1 1 1 3677 1 1 1 4837 1 4345 1 1 1 7293 1 1 1 1 1 1 1 1 1 1 9075 9479 1 1 1 1 6674 1 1 1 1 1 1 1 8057 5534 1 1 1 1 4496 1 1 1 1 1 1 1 5826 1 1 1 1 4141 1 1 10775 7667 14380 15008 1 1 1 1 5804 3630 314.1542 *314.1561* 314.1561@1.1429297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1561 *314.1625* 314.1625@1.993935 1 1 1 1 1 1 1 1 1 1 1 1 7764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11604 1 1 1 1 1 1 1 9431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13536 7215 314.1625 *314.1666* 314.1666@1.1383545 1 4186 1 1 1 1 1 4565 1 1 1 6313 5278 1 1 1 1 1 1 1 1 1 1 1 10019 1 1 1 11855 1 1 1 1 1 1 1 5549 1 1 1 1 5038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1666 *314.1703* 314.1703@1.1391037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7956 5900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1703 *314.1838* 314.1838@1.0294236 1 1 1 1 1 1 1 1 1 1 1966 1 1943 1 1 1 1 1 1 1 1 1 1 2446 1 1 1 1 3113 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1838 *314.1997* 314.1997@1.0313846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 1 1 1 1 1 1 1 1 314.1997 *314.2009* 314.2009@2.8574812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2009 *314.2075* 314.2075@2.6118515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2151 2607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6606 7024 1 1 1 1 1 1 6407 6093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 314.2075 *314.2117* 314.2117@1.0973718 4201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5164 1 1 1 1 1 6291 1 1 1 1 1 1 1 1 1 1 1 4195 2501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2117 *314.2139* 314.2139@1.1079943 1 6020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2139 *314.2365* 314.2365@1.158306 1 1 1 1 3248 1 1 5491 1 1 1 1 3162 1 1 1 1 1 1 1 2680 1 1 2043 4955 1 5991 7093 4192 1881 1 1 1 3831 1 1 5716 1 5040 1 1 1 1 1 2831 1 1 1 1 1 2637 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 1 1 2847 4318 1 1 1 1 4308 1 1 1 1 1 314.2365 *314.2391* 314.2391@1.1352885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5766 4706 1 1 1 1 1 1 1 1 1 1 1 1 1 9792 1 1 1 1 1 1 1 1 1 1 9272 1 1 1 1 1 1 1 1 1 1 1 1 1 7446 1 1 1 1 314.2391 *314.2431* 9,13-dihydroxy-11-octadecenoic acid 27795 25644 30502 31262 30717 32381 33437 27379 30906 26948 36233 38673 26520 30122 37199 35844 26123 24591 34178 35116 40562 40684 32303 32464 31263 33617 33075 34537 36750 38383 33202 37989 61617 56308 23573 25075 19274 25974 56423 59219 33643 34819 23777 22914 41159 39469 27776 31630 48256 48853 39036 41445 32409 32305 29121 31332 41419 43924 41135 43629 53740 62927 50009 53178 148772 147957 37417 42677 34878 34829 55079 47987 31771 33171 35550 34104 27443 29612 41349 40956 37923 34371 26596 26166 42715 39977 41600 41966 35731 35324 314.2431 *314.2442* 314.2442@5.913271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4062 3430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2442 *314.8841* 314.8841@1.1681099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3134 1 1 1 1 1 1 1 1 1 1 1 314.8841 *315.1015* 315.1015@2.8091767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1015 *315.1032* 315.1032@2.6303263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10244 11877 1 1 1 1 1 1 5563 7332 1 1 1 1 1 1 1 1 1 1 9126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7419 12072 5670 6731 1 1 1 1 11162 11662 1 1 315.1032 *315.1032* 315.1032@2.7608447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6086 7737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1032 *315.1102* 315.1102@4.2189674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15819 16428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1102 *315.1108* 315.1108@1.15771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3880 1 1 1 1 1 5124 5604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11294 11381 1 1 1 1 315.1108 *315.117* 315.117@1.1583084 1 1 1 1 3311 3641 1 1 1 1 1 1 1785 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2650 1 1 2675 2638 1 1 1 1 1 1 1 1 1 1 3887 3626 1 1 1 1 3153 1 1 1 3099 3573 4007 1 1 1 2049 1 1 1 315.117 *315.1257* 315.1257@0.90215266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27710 29922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1257 *315.1298* 315.1298@1.1587656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3638 1 1 1 1 1 1 1 1 1 1 1 1 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1298 *315.9971* 315.9971@0.8957107 1 2290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5192 5324 1 1 315.9971 *315.9975* 315.9975@0.89509326 2527 1 1 1 1 1 1 2978 1 1 1 1 3303 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.9975 *316.0993* 316.0993@0.82132703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 3585 1 1 1 1 316.0993 *316.1151* 316.1151@1.182667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4988 5027 1 1 1 1 316.1151 *316.1337* EPIAFZELECHIN TRIMETHYL ETHER 1 1 11057 10848 32075 32899 1 1 1 1 32582 31344 1 1 1 1 1 1 12255 1 33516 30470 32573 72575 2908 1 1 1 45645 44071 6240 7582 1 1 10682 22040 6201 1 1 1 1 1 20902 8533 1 1 1 1 5718 7107 1 1 1 1 1 1 1 1 1 1 16155 14386 1 9057 1 1 23054 24923 10625 8137 1 1 8170 1 1 1 1 5220 4627 4232 1 1 4671 11864 1 1 1 1 10027 1 316.1337 *316.1346* 316.1346@1.1699151 1 1 1 1 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1346 *316.1349* 316.1349@1.0831968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6197 3037 4392 5195 1 1 1 8955 10259 1 5569 1 1 1 1 1 1 1 6859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10299 6270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3743 1 1 1 1 1 14217 15463 1 1 1 9729 316.1349 *316.1569* 316.1569@1.1303468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2598 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1569 *316.1637* 316.1637@1.1358494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 5163 1 1 1 1 1 3457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1637 *316.1638* 316.1638@2.0137746 1 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3255 1 1 1 1 1 1 1 1 1 1 4973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 1 1 1 1 1 1 1 1 316.1638 *316.1689* Gibberellin A9 1 1 5125 5040 1 1 13539 1 1 1 5730 7821 1 1 1 1 1 1 11339 11327 1 1 1 1 1 1 1 1 1 5267 1 1 6047 7709 1 1 8329 6726 1 4496 1 2708 1 1 13479 11242 6047 7729 9475 10064 15006 12449 1 1 3408 4855 7947 8638 8157 11857 7252 7396 6213 4880 8782 8277 1 8028 3253 4572 1 1 8171 7484 1 1 4908 5625 5761 7898 12361 8242 8683 6283 5016 8135 1 1 1 8304 C11863 316.1689 *316.1816* 316.1816@1.3060685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1816 *316.187* 316.187@1.139483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.187 *316.203* 316.203@1.0416005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.203 *316.2125* 316.2125@1.0710317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 2433 1 1 1 1 1 2032 4228 12585 1 1 1 1 1 1 1 1 1 1 1 2558 1 1 1 1 1 1 1 1 1 1 1 1 3408 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 2132 9500 1 1 1 316.2125 *316.2198* 316.2198@1.0513426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5243 1 1 316.2198 *316.2232* 316.2232@1.0478237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.2232 *316.2578* C10 H28 N12 4754 5241 5105 4471 6816 7829 4407 4408 6978 7130 6864 6950 6164 4731 7258 5810 6611 7736 6169 8149 6147 6300 6090 5044 4663 4005 5676 3866 8421 8214 9210 8409 10008 9990 3911 3920 5667 6358 15833 15981 6469 7592 4716 4748 9802 9269 6794 7238 14930 14499 7170 5410 8720 8223 7320 5037 8329 8588 9372 8296 8435 9945 4449 6381 1 1 9442 9174 7665 7508 16574 15031 4888 6959 5160 6427 5614 6764 6838 6064 8924 9055 5827 5084 7284 6162 12230 12162 5760 7455 316.2578 *317.0258* 317.0258@5.62729 3468 3136 2841 2810 1 2913 1 1 2616 2685 2859 2888 1 1 2953 2526 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.0258 *317.0475* C14 H11 N3 O4 S 9025 8721 10301 10483 12663 12462 4675 4115 9844 9753 11165 11430 8810 9296 11495 10001 7716 7237 9184 8992 6505 6191 6889 7481 9683 9665 8070 8274 8902 8923 8486 8975 7333 6681 6448 6323 7260 7306 5321 5143 6409 7272 8706 7717 6127 6333 6945 7414 9710 9459 6577 6328 7158 6883 6184 6079 4355 4915 6335 6593 7113 7141 4237 4239 4604 4120 5973 6108 4618 4729 8637 8056 3791 4284 2655 2936 3332 3548 3104 3228 4388 4306 4900 4511 5086 5285 3803 3339 4717 4658 317.0475 *317.0885* 317.0885@0.9063879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 3512 1 1 1 1 1 1 1 1 1 1 317.0885 *317.106* 317.106@2.8794577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5618 5081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5576 5374 1 1 1 1 1 1 317.106 *317.1111* 317.1111@2.550594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 317.1111 *317.1192* 317.1192@2.5362659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3047 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1732 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.1192 *317.124* 317.124@1.1910256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4242 4124 1 1 1 1 317.124 *317.1519* 317.1519@1.2044353 2230 3057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.1519 *317.9127* 317.9127@1.0332963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.9127 *317.9133* 317.9133@1.2043414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43187 39835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.9133 *317.9528* 317.9528@5.4383736 1 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2912 1 1 1 1 1 1 1 317.9528 *317.9546* C8 H6 N4 O4 S3 99440 98970 95801 101106 106365 103962 111521 112538 107697 108318 95506 94021 103656 102759 111681 110906 105740 107422 130596 127660 107035 108440 105257 106977 126781 124958 107804 106597 104323 104230 100306 100911 104359 105626 106840 106151 104942 105655 103209 103445 110692 111847 93918 97648 106718 105305 103653 104650 108345 108885 112252 114621 116281 113041 104075 102668 109619 108011 105047 103778 98909 96976 106511 106006 108030 108891 118466 118677 115982 115097 128389 130153 98092 99532 102689 105960 102908 103545 105428 106109 114460 114609 107850 110114 113234 113851 126665 124926 101527 102831 317.9546 *318.0049* 318.0049@1.2809873 1 1 1 1 4108 3827 1 1 4167 3909 1 1 1 1 1 1 1 1 5925 3862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4082 3479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3562 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4629 5176 1 1 1 1 318.0049 *318.0502* 318.0502@1.195067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0502 *318.0722* C10 H19 Cl O9 39919 39603 29931 11530 24671 33778 85514 83822 20868 16321 30446 30492 18001 18396 24381 23636 25925 25669 41031 29993 16593 17699 19453 11922 10872 11797 15931 17600 15967 18647 31802 25904 50080 46834 20886 17359 13887 18182 21927 18779 27066 21420 11715 15046 26579 26160 13379 19385 10431 13875 37818 29578 15153 8776 15348 15477 41627 42506 11354 13544 13564 14434 19772 22227 16040 10758 21232 31927 11633 15848 30686 21294 15920 11375 19080 17812 18155 24383 74808 78810 41142 39658 27412 27489 50684 51185 27944 24823 36927 27352 318.0722 *318.0724* 318.0724@2.4660392 1 1 1 9037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2429 1 1 1 1 2398 1 1 1 1 1 1 1 9932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1 1 4284 1 1 1 10728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0724 *318.0769* 318.0769@0.7327955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0769 *318.0785* 318.0785@1.1498579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7454 6631 1 1 4091 3476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0785 *318.0855* 318.0855@1.1485342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0855 *318.1144* 318.1144@1.230166 1 1 1 1 1 1 1 1 1 1 1 1 6527 6946 1 1 1 1 1 1 1 1 4545 4480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1144 *318.1198* 318.1198@1.3082557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3602 1 1 1 1 1 1 318.1198 *318.12* 318.12@1.3801498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2615 1 1 1 1 1 1 318.12 *318.1203* 318.1203@1.6299888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6566 4778 1 1 3368 1 1 1 1 1 1 1 1 1 1 4303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 7255 5059 1 1 4102 4290 1 1 318.1203 *318.1203* 318.1203@1.8401517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4470 3618 1 1 3537 3819 1 1 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2199 1 1 1 1 1 1 1 1 1 2963 3208 5398 4983 1 1 1 1 1 2587 318.1203 *318.1203* 318.1203@1.920233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 318.1203 *318.1204* C17 H22 N2 S2 17145 16888 5268 25161 1 10146 7638 9048 6274 9675 20343 15524 14138 13263 12381 11930 8729 7936 47949 52847 13525 10675 24004 21556 11377 11553 18665 20666 24337 23725 1 7592 24035 25441 1 1 10930 2968 8175 7423 18042 18252 7436 8519 17135 17816 6062 1 13785 16016 8337 9609 6898 3567 6081 5072 11397 12271 28207 28025 9136 8639 9455 9074 8549 11725 7911 12908 12629 9396 35753 34861 10718 11793 16165 11279 16663 16702 25125 29080 35119 29512 32805 38264 8833 5333 17664 9461 24694 24530 318.1204 *318.1229* 318.1229@2.119478 1 1 18061 1 1 1 1 1 1 1 1 7947 1 1 1 1 1 1 1 4055 1 1 1 10322 1 1 1 1 1 1 1 1 1 1 1 1 1 9117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4050 1 1 6905 1 1 1 1 1 1 3285 1 7936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 8118 1 5826 1 6424 1 3305 318.1229 *318.1294* 318.1294@2.1849434 1 1 1 1 3638 8239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 4979 1 1 1 1 1 1 1 1 7253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1294 *318.1319* 318.1319@2.225125 1 1 1 1 3655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1319 *318.1453* 318.1453@0.76469123 26287 27118 1 1 1 1 1 1 1 1 1 1 1 1 7241 7624 1 1 4228 4143 1 1 1 2723 4307 5265 9384 9763 10368 10513 1 1 1 1 1 1 5085 5608 1 1 13776 14365 1 1 1 1 1 1 1 1 9564 9804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4432 4301 1 1 1 1 1 1 1 1 318.1453 *318.1777* 318.1777@1.130569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1777 *318.1846* 318.1846@1.100275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 2934 4963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 2061 1 1 1 4194 1 1 1 1 1 1 1 1 9936 8276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1846 *318.191* 318.191@1.0907737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.191 *318.1987* 318.1987@1.0716361 1 1 1 1 1 1 1 1 1 1 1 1 1 4593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1987 *318.2045* 318.2045@1.0670686 9453 8510 1 1 1 1 1 1 1 1 1 1 8097 1 1 1 1 1 3433 1 1 1 6079 3060 5617 5800 1 1 1 1 1 1 1 1 1 1 1 4159 1 1 4848 4083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.2045 *318.2116* 318.2116@1.0785415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.2116 *318.2151* 318.2151@1.0564866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24905 1 1 1 1 1 18385 1 1 1 1 5339 1 1 1 1 4368 3385 1 1 1 1 1 1 1 1 13427 13794 3558 5923 1 1 1 1 10222 1 5127 7032 1 1 1 6007 1 1 1 1 1 1 7112 4976 11394 1 1 1 12359 11141 1 4623 1 1 1 1 1 6452 1 1 1 1 2107 1 1 1 1 1 318.2151 *318.2222* 318.2222@5.747822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 1 1 1 1 1 2113 1 1 2650 2717 1 1 1 1 1 1 318.2222 *318.227* 318.227@1.0529804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6539 1 5014 1 6557 6446 1 1 1 1 1 1 8044 1 1 1 1 1 1 1 1 1 1 1 1 10015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 1 1 1 1 1 1 1 9502 8106 1 1 318.227 *318.2389* 318.2389@1.1045748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.2389 *319.0166* C8 H15 Cl2 N3 O4 S 1 1 2469 4239 4160 4484 5552 4712 4223 5029 1 1 1740 1926 7056 6894 7217 6741 5410 5951 1 1822 1 1 7065 6990 1 1539 1 1 1 1 3332 1621 1780 1667 1 1 1 4475 1 1 1 1 1 3491 1 1 4433 1 1 1 6471 6066 1 1 1 2430 4071 4576 1 1 4310 1 1 1 1 1 6132 5555 6642 6509 1 1292 1 1 1 1 3834 5017 6156 5594 1 6429 1 1 7942 7943 1 1 319.0166 *319.0169* 319.0169@2.455761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.0169 *319.0176* 319.0176@2.8442624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.0176 *319.0204* 319.0204@2.4332156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.0204 *319.9118* 319.9118@1.0329187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2842 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.9118 *319.9855* 319.9855@3.042905 1 1 1 1 1 1 5941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.9855 *320.0122* 320.0122@2.7354374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4559 1 1 1 1 1 1 1 1 320.0122 *320.0129* Lorazepam - 2.8234196 6992 9096 9886 21785 24683 28053 34658 27191 21786 27980 10691 12704 16444 9313 43043 43542 48512 43501 33016 33776 10307 4838 14398 11500 43337 42107 12290 12435 12837 11048 19367 22271 12622 8762 18993 20787 11432 13877 24217 17479 12366 8102 21290 6401 6077 5420 18475 14744 12949 12517 15028 9387 42838 43914 17530 12728 10881 19119 21180 29340 9455 12318 17201 19676 3505 2046 16172 15640 36049 29905 41631 39707 15236 16175 17190 5994 14462 4832 25725 33806 36649 34434 20815 40088 20019 18550 47067 45886 13754 11445 C07082 320.0129 *320.0135* Lorazepam 14142 8572 14976 14106 6272 6664 15865 14336 10574 11022 10582 5921 8191 18025 11746 13210 20888 10973 7983 7462 8292 9583 10149 11069 17986 15501 11064 10820 9971 10578 8364 5020 9466 8481 10621 7251 9951 7702 14799 4145 12425 2365 6112 19333 9163 2411 11224 8530 12654 13231 16161 15535 19726 14161 12822 6406 4056 8934 8918 8394 7396 11024 92235 98904 4319 11615 12588 12335 10500 11409 6135 7254 9223 9870 10904 7036 7130 9913 7045 8089 12356 14276 13493 12901 5376 8536 11914 8023 6238 7016 C07082 320.0135 *320.0135* Lorazepam - 2.8015165 1 6107 12690 1 1 1 1 1 1 5111 6703 5709 8811 18410 1 1 1 1 1 1 7356 6163 5025 4053 1 1 8713 7907 6941 6066 3879 1 1 7847 10535 8790 1 4321 1 1 9205 12909 1 3942 4611 12458 5208 4134 6854 4712 1 1 1 1 6106 3936 6146 1 1 1 1 3065 1 1 10157 12357 1 1 1 1 1 1 7036 7861 5453 16757 3954 15339 1 1 1 2191 1 1 1 1 1 1 6953 6182 C07082 320.0135 *320.0137* Lorazepam - 2.5770097 1 1 1 1 6155 10129 4690 1 1 1 1 1 1 1 1 5702 1 5493 1 17949 1 8044 1 1 5967 1 1 1 1 1 1 1 13203 1 1 1 1 10091 1 11928 1 12794 12150 14061 13556 8550 1 1 1 1 7932 1 1 1 1 10772 9724 10122 10011 11392 6957 7200 1 1 10826 1 10531 6672 1 1 13504 14865 1 1 1 1 1 1 7596 7702 12532 8522 8565 9262 6059 5806 1 19602 11855 14825 C07082 320.0137 *320.0146* 320.0146@2.375501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9897 1 1 1 8317 1 1 1 1 1 1 1 1 1 1 1 1 12806 9386 1 1 1 1 1 1 1 1 1 1 1 8386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0146 *320.0304* 320.0304@2.4046857 1 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0304 *320.0505* 320.0505@2.4362392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0505 *320.0544* 320.0544@2.4472778 1 1 1 1 6803 1 1 1 1 4484 1 1 1 1 1 1 1 1 1 10125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6613 1 3878 1 1 1 1 9258 8297 1 1 1 1 1 2312 1 1 4681 1 1 1 1 1 1 1 1 1 1 1 8380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7779 1 3960 320.0544 *320.0626* 320.0626@2.4376292 1 1 1 7811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6348 1 1 1 1 1 1 1 1 1 1 1 1 5383 320.0626 *320.0828* 320.0828@5.833242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1369 1 1 1 1 1 1 1 1 4317 3747 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 320.0828 *320.1248* 320.1248@1.2213571 1 1 1 1 1 2721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1248 *320.1946* 320.1946@1.2038761 1 1 1 1 2034 2145 1 1 2508 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5230 3262 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1417 1 1 1 1 1 320.1946 *320.1997* 320.1997@1.1255338 1 1 1 1 1 1 2016 1 1527 3915 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1 1614 1 1 1 67361 68211 1 1 1 3527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1997 *320.2106* 320.2106@1.1264483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2183 1 1 1 1 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.2106 *320.2216* 320.2216@1.1271957 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21670 3092 1 1 1 1 1 1 1 1 1 2001 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 2700 1 1 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11004 1 1 1 1 1630 1 1 12126 1 1 1 1 2029 1 1 1 3281 2389 320.2216 *320.2259* 320.2259@1.0826122 4131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 1 1 1 1 1 2750 1 2996 1 1 2037 1 2441 1 1 1 6024 1 15675 1 2893 4744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19316 1 1654 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 320.2259 *320.2348* 320.2348@1.0908285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 5134 1 1 1 1 1 1 1 9920 9986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.2348 *320.2433* 320.2433@1.0981627 1 1 6699 5874 1 1 7172 8130 1 1 1 1 1 1 1 1 1 1 1 6425 5747 7976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5891 1 1 1 1 1 1 1 1 1 1 1 1 4890 1 8390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14861 14059 1 1 320.2433 *320.2495* 320.2495@1.0978712 7820 7692 1 1 1 1 1 1 1 1 1 1 6442 6431 1 1 71569 19315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9477 8494 1 1 1 1 1 1 1 1 1 1 1 9609 1 1 1 1 1 5621 1 1 1 1 1 1 1 1 1 1 4537 1 6620 1 1 1 1 1 1 1 16819 15680 1 1 1 1 1 1 1 1 1 1 320.2495 *320.2597* C15 H36 N4 O S 1 1 1 1 1 9614 1 1 8085 7372 10408 10277 1 1 7213 7172 1 1 1 1 1 1 10426 11361 9860 10659 10381 9762 11325 10455 8431 9187 9824 9919 1 1 9928 1 1 1 8611 9112 1 1 7836 8325 6287 7935 7912 7550 10879 1 1 7272 6923 7249 1 1 8474 8684 1 8901 6880 5796 6362 1 10131 11344 1 1 1 1 4876 6274 6718 6052 10527 11000 1 1 8449 8430 8732 8402 23200 11596 1 1 4195 5473 320.2597 *320.2651* 320.2651@1.1021008 1 1 1 1 9674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7883 1 1 1 1 1 1 1 9115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.2651 *320.9402* 320.9402@1.0970826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3090 3053 1 1 1 1 320.9402 *321.012* 321.012@2.8413668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 321.012 *321.0176* 321.0176@2.3270178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.0176 *321.0706* 321.0706@2.2150772 1 1 1 4416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6990 1 1 1 4689 1 1 1 1 1 1 1 1 1 1 1 1 25599 1 1 1 1 1 2455 1 7333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7074 1 1 1 1 1 1 1 1 1 1 321.0706 *321.0718* C11 H16 Cl N3 O6 20570 23464 20662 17059 29277 30042 85907 84312 18580 13051 25851 26439 17111 12984 17174 18602 23312 22923 31468 30414 31672 31254 31163 31396 15799 15945 19161 16531 19756 19795 38767 39473 45158 48440 22603 13447 35554 35246 19770 15027 22095 24843 27322 28037 27612 27084 15902 15796 21259 21062 47383 49154 13364 38112 18617 18983 29817 29255 15559 17366 20303 25884 21717 22231 30173 30861 33530 37950 20042 16024 34509 29246 14599 14271 20539 19232 22410 23016 78193 72310 35823 48495 24644 24633 53139 52484 35287 33124 15936 23719 321.0718 *321.1946* 321.1946@1.2016997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 1 321.1946 *321.2037* 321.2037@2.115927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5283 1 1 1 1 1 1 1 1 1 1 1 321.2037 *321.2058* 321.2058@2.0138645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9082 3592 9158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9387 1 1 1 1 1 1 1 1 1 1 1 321.2058 *322.0104* 322.0104@2.806007 1 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5589 1 1 1 3876 6296 1 6270 1 1 1 1 1 1 1 1 1 1 3260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5082 1 1 1 1 1 1 1 322.0104 *322.0104* 322.0104@2.316052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0104 *322.0124* 322.0124@2.7971478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0124 *322.0493* 322.0493@1.169275 1 1 1 1 1 1 1 1 1 1 1 1 9869 9721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0493 *322.1398* 322.1398@1.5421184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1398 *322.1403* 322.1403@1.6238959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12668 13496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1403 *322.1406* 322.1406@1.5146451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18047 8573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1406 *322.1425* 322.1425@0.96234316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 2439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1425 *322.1763* 322.1763@2.602153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4670 1 1 1 1 1 1 1 1 1 1 322.1763 *322.1769* 7-hydroxy Tetranor Iloprost 5425 5138 5030 5424 1 1 1 1 1 1 6300 7128 1 1 6137 7123 4969 4578 11663 12432 1 2214 6907 8343 1 1 1 1 4196 4535 1 1 6335 4537 7498 7465 5255 5958 3805 4591 1 3185 1 1 1 1 4690 4188 5937 5323 11014 11622 1 1 1 1 16651 18794 5907 5131 5859 5861 1 1 9370 10160 4419 5212 1 1 4035 3658 1 1 1 1 5621 5503 6752 2441 4488 4246 10332 11548 13340 14286 3347 3892 11045 11216 322.1769 *322.1772* 322.1772@3.1581964 1 1 1 1 1 1 1 1 6257 3800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1772 *322.1797* 322.1797@0.9547351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1797 *322.1807* C15 H31 Cl N2 O S 4661 1 3199 3533 7085 7050 1 1 4798 4798 1 5807 12113 9543 5616 4953 11331 10671 22481 18554 5880 5804 91704 97842 75468 76913 58003 57306 161932 165031 7662 9373 29492 29987 116075 111172 17936 9835 11989 13143 12631 17281 13425 12847 12963 13993 10246 13410 8743 8665 14404 16068 18866 18868 96195 95428 7143 11380 122245 124458 22415 21229 1 1 1 1 8782 1 1 7061 2386 1 12535 16542 1408 5624 71459 73195 16211 1 27318 28251 15419 15055 27853 27896 615246 614107 6819 10082 322.1807 *322.1885* 322.1885@1.0978447 1 4537 1 1 1 1 1 1 1 1 17472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15943 1 1 1 3657 1 1 3571 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 322.1885 *322.1946* 322.1946@1.1145978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3670 1 9198 9447 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1946 *322.2033* 322.2033@1.1124958 1 1 1 1 1 1 9136 8973 5274 5695 1 6725 1 5222 1 5988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4658 7457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8876 1 5456 5300 12928 13325 1 1 1 6617 1 1 1 1 3790 1 2576 1 1 1 1 1 5489 1 322.2033 *322.2087* 322.2087@1.1149875 4970 5109 4030 3810 2650 4004 1 1 1 1 1 1 4597 1 6285 1 1 1 1 1 4813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5274 3574 1 1 1 2527 5521 4144 1 1 3836 1 1 5554 1 1 1 1 1 5724 1 1 1 1 1 1 76627 74597 1 1 1 1 1 1 1 1 4630 1 1 1 1 1 1 1 1 1 3107 1 1 1 1 4401 322.2087 *322.2164* 322.2164@0.80632484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128196 128623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.2164 *322.2189* 322.2189@1.1153201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.2189 *322.2248* 322.2248@1.1142546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5867 4132 1 1 1 1 1 1 1 1 1 1 322.2248 *322.225* 322.225@3.132179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16875 18100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.225 *322.2253* 322.2253@3.426496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7092 7787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.2253 *322.2414* 322.2414@1.0613586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.2414 *322.9371* 322.9371@1.0965819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 2416 1 1 1 1 322.9371 *323.0476* 323.0476@5.626095 2604 2583 1 1 2224 1 1 1 1 1 2522 1 1 1 1 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.0476 *323.0677* 323.0677@2.199509 3693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2657 1 5685 1 1 5215 1 5000 1 1 1 1 1 1 1 1 5339 1 1 1 1 1 1 1 5884 1 323.0677 *323.0838* 323.0838@2.514331 1 1 1 1 5394 5930 1 1 1 1 4489 5319 1 1 1 1 4751 4339 6091 5953 6374 6628 4504 4512 1 1 4645 4618 1 1 1 1 1 1 1 1 1 1 7714 7772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4533 1 1 1 1 1 1 3842 4129 1 1 4464 1 1 1 1 1 5113 3928 1 1 1 1 4729 4770 9306 10059 1 1 8560 8110 1 1 323.0838 *323.0965* 323.0965@5.82787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 2718 1 1 1 1 1 1 1 1 1 1 323.0965 *323.1233* 323.1233@0.92869484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4001 4544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1233 *323.1722* 323.1722@1.1097844 36114 35514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6962 1 30111 29134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1722 *323.1777* 323.1777@1.1066167 1 1 3466 3556 3603 3506 3937 3559 4433 4646 1 3543 4801 4931 5697 5254 1 5963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 1 4067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1777 *323.1902* 323.1902@1.1022897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1902 *324.0287* 324.0287@0.7470904 1 1 1 1 1 1 1 1 1 1 1 1 4437 3892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0287 *324.0576* 324.0576@2.1675038 1 1 1 1 1 1 19215 19111 1 1 1 1 1 1 1 1 1 1 1 6081 1 1 1 1 1 1 1 1 1 1 1 1 7297 7467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4043 4147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11414 8039 5243 5263 3317 1 10114 9897 1 1 1 1 324.0576 *324.0634* 324.0634@0.72411567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0634 *324.064* 324.064@0.7655606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23621 30397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.064 *324.0719* 324.0719@2.1674309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7054 6451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5781 4653 1 1 324.0719 *324.0815* 324.0815@1.5867231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 5316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0815 *324.0832* 324.0832@2.156769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0832 *324.087* 324.087@2.1037743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39384 32354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6913 4933 1 1 1 1 1 1 21956 27958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6890 7735 1 1 324.087 *324.1318* 324.1318@0.94822603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5277 3479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1318 *324.1524* 324.1524@1.062 1 1 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1524 *324.1602* 324.1602@1.0494374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1602 *324.1719* 324.1719@1.0413024 1 1 1 1 1 1 1 4184 1 1 1 1 1 1 1 1 4570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1719 *324.1841* 324.1841@1.1510769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1841 *324.1913* 324.1913@2.6898787 2761 1 3163 3680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6654 8193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3081 3295 3103 2715 1 1 1 1 1 1 1 1 1 1 13621 36158 1 1 1 1 7614 8416 3991 9629 5299 5066 1 1 12132 12313 2931 3359 1 1 1 1 1 1 1 1 1 1 3405 3334 6570 2791 5633 6580 11758 11817 1 1 19433 21814 324.1913 *324.194* 324.194@1.1349167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2295 2166 1 1 1 2261 1 1 1 1 1 6614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3544 1 1 1 1 1 324.194 *324.1981* 324.1981@1.1317161 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 2657 1 1 1 1 1 1 5588 1 1 2710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3899 1 1 1 1 1 1 1 1 1 1 1 2532 3753 5150 1 1 1 1 1 7693 7367 1 1 2420 1 1 2379 1 1 1 1 1 1 1 2800 1 1 1 1 1 4073 1 1 1 1 324.1981 *324.2041* 324.2041@1.1585553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2041 *324.2102* 324.2102@1.0980977 14561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8865 11479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2102 *324.2171* 324.2171@1.1116567 1 13748 1 1 4266 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13907 15085 1 1 31266 16047 3974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2171 *324.2205* 324.2205@1.0472916 1 1 1 1 4977 5970 1 1 1 1 1 1 1 1 1 1 10155 1 16463 16565 1 1 1 1 1 1 3817 3293 38781 1 1 1 9563 12804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 2978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2205 *324.224* C18 H32 N2 O S - 5.7492967 2017 1941 1 1 1 1 1 1 2022 2338 2063 2459 1 1 1793 1599 1 1 7017 7002 1 1 1 1 3267 4403 3903 3246 2935 3022 1 1 4175 3800 3483 3836 3452 3613 4088 4094 4678 4339 3672 4347 6095 6880 5848 6030 3695 3061 3603 3009 3826 3475 3534 3795 11996 12019 6679 7070 10656 11140 4791 4756 6220 5715 8588 9025 7125 7385 15554 15685 6843 6973 6845 6408 9798 9406 15551 15894 13899 13523 13648 14183 10432 10808 4624 5306 9445 9944 324.224 *324.2273* C18 H32 N2 O S 1 1 10646 19090 13656 14561 22500 23044 25171 25459 11313 10833 23554 12603 32900 35777 1 10897 1 1 15762 1 14043 14719 21548 14897 21753 23042 1 1 19223 13891 31735 30895 1 1 12001 11003 14687 12599 16695 11166 8099 9096 14476 36224 16517 39812 11949 11203 19624 19205 11633 11551 1 1 21466 45198 1 1 48200 43887 22167 11282 124092 132002 30636 33979 19462 36515 26267 43890 16232 9980 12251 11772 13113 17039 30604 13339 1 17777 13303 14027 18352 26010 1 1 33547 33297 324.2273 *324.9503* C15 H3 N O4 S2 19160 5244 16775 19067 19399 17059 16270 9203 19174 19505 17786 13355 19414 19534 10374 8290 15628 9767 16863 14740 14256 18636 16218 15479 15987 17087 19404 17820 17380 13702 15577 19509 15053 15936 19104 20205 18782 16168 18042 18768 18840 15893 18340 19997 18347 18228 18782 19047 17743 17779 18827 15362 15984 18207 17093 16017 16405 9882 2497 11438 17678 15470 16545 13894 9855 5223 17499 16644 17558 15797 20874 17594 17562 21698 19907 18070 19591 18875 16374 16955 13878 8077 16413 11315 14055 9861 15196 15973 18873 19734 324.9503 *324.9506* 324.9506@1.4290056 1 12322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14888 1 1 2739 1 1 1 9944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.9506 *325.0254* 325.0254@1.0413859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9567 9013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.0254 *325.0376* C20 H7 N O4 1 1 1 1 4704 4766 4447 5066 6012 6298 1 1 5091 5325 1 1 1 1 4247 4328 4613 4539 3909 3802 3042 3603 1 1 1 1 5280 5235 1 1 5441 4833 1 4781 1 1 4726 6175 5386 5507 3695 1 6470 5672 3784 1 1 3098 5443 5182 4502 4518 4254 4478 1 1 4107 4434 4796 5483 4407 4925 5451 4890 5853 5886 6752 6715 5124 4964 5396 5920 3979 3933 1 1 1 1 4126 4448 4369 4415 4709 5068 6085 6032 325.0376 *325.0737* 325.0737@1.1268477 1 1 5250 5778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.0737 *325.1916* 325.1916@1.0366163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 2632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1916 *325.2051* 325.2051@1.0325745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.2051 *325.2261* 325.2261@1.030535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.2261 *325.8466* C4 H4 Cl2 N2 O3 S4 1 3029 1 1 1 2175 7583 8302 2893 1691 3865 3640 1 1 2893 2644 2842 2855 6383 5668 2703 3700 2679 3041 4458 5836 1 2063 2939 2548 14403 6133 1 1 17310 20017 18226 15648 6715 6663 6817 6737 1 1 9855 10048 1 1 5240 8217 15367 14412 2859 3330 8383 8884 19245 17276 3370 3583 3056 6939 1 1 12492 12879 22051 24051 8084 11403 12352 13422 6819 6677 5096 7416 14697 14959 16842 16937 16533 16435 6665 6837 9573 5917 1 2895 17818 18859 325.8466 *325.985* 325.985@1.0946581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6402 6381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.985 *326.017* 326.017@0.7836663 1 1 1 1 1 1 3581 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4689 4315 1 1 1 1 326.017 *326.0294* 326.0294@0.77106714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.0294 *326.0434* 326.0434@0.7847145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6379 6984 1 1 1 1 1 1 1 1 1 1 1 1 11496 10439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13522 13222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.0434 *326.0816* 326.0816@1.1076975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9784 9541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6763 8050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7547 8249 1 1 1 1 1 1 1 1 1 1 6062 6445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.0816 *326.0828* 326.0828@2.6456666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4982 1 1 1 1 1 1969 1 1 1 1 1 326.0828 *326.0836* 326.0836@2.6291735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5098 1 1 1 1 1 1 1 1 1 1 326.0836 *326.0885* 326.0885@1.1882803 1 1 1 1 1 1 2889 1 1 1 1 1 1 1 1 1 3189 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2892 1 1 326.0885 *326.1017* 326.1017@5.2965198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5629 5338 1 1 326.1017 *326.1025* 326.1025@2.5226192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9471 7144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1025 *326.1027* 326.1027@2.854968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238185 235640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52600 85406 1 1 1 1 1 1 105268 113132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106324 106312 1 1 326.1027 *326.1029* 326.1029@2.8384638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1029 *326.1154* 326.1154@0.7692666 3690 3792 1 1 1 1 4040 3936 1 1 3685 3956 5538 5449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1154 *326.1393* 326.1393@3.2920191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1393 *326.1811* C12 H22 N8 O3 18941 16733 30601 33007 37919 37282 35161 40142 43559 42023 42175 39240 45857 48096 34842 33121 64102 73813 34747 33233 28085 28686 39288 35612 22938 21714 23417 24291 1 1 26358 26663 1 1 28584 21080 27540 28581 29837 29380 36563 31061 23589 23514 25516 26778 25924 25410 22059 25336 26151 23754 30184 30979 21005 25287 1 27912 25076 27700 1 21184 19859 17934 1 1 23125 21515 24862 21761 32855 32065 22271 22551 26133 26998 21899 22475 26025 26417 28608 26120 24466 27788 24604 27669 29469 31702 25792 25957 326.1811 *326.1823* 326.1823@2.8479354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11038 8437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8561 9609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12292 9268 1 1 326.1823 *326.1838* 326.1838@2.8165753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1838 *326.1895* 326.1895@1.4020339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1895 *326.1896* Isoacitretin 7187 17035 10699 8257 1 9936 13571 6002 16754 10471 8270 1 6412 10522 14297 1 13245 1 21089 1 9914 5482 1 1 19936 1 16338 19540 12219 4910 7657 20305 18584 1 10326 15147 13274 1 8882 9169 1 1 20337 8508 1 10843 10171 11024 1 8578 10955 10396 1 1 12180 5357 11303 1 10538 13278 10941 1 1 1 13652 14373 1 5622 7909 8365 8354 11175 11433 1 1 14189 1 1 8202 10295 1 1 1 1 6539 1 14202 10316 13468 15041 HMDB03039 326.1896 *326.1897* Isoacitretin - 1.4615195 15430 15172 1 1 1 3764 8624 6091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20769 19850 2943 8415 23178 26842 1 5131 1 5253 9252 8699 8916 1 1 8007 1 1 5305 1 2238 1 7961 8379 1 1 1 1 14798 1 1 1 16728 1 1 1 20274 22281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5112 1 1 1 1 12743 14403 1 1 HMDB03039 326.1897 *326.1897* 326.1897@0.9122165 1 1 1 1 1 1 1 1 1 28673 1 1 1 1 1 1 1 1 7557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29545 1 1 1 1 1 2919 5043 1 1 1 1 1 1 1 1 1 1 1 5315 1 1 1 4367 1 1 1 1 1 1 1 1 1 1 1 1 1 4963 1 1 7041 1 1 1 1 1 326.1897 *326.1899* Isoacitretin - 1.2870859 6595 6622 11127 17729 23994 17686 1 14619 19910 15369 15276 18248 17785 15899 15898 17490 14260 11923 12820 18878 12540 17413 27458 27701 1 13854 13948 21628 27117 28929 14559 18894 7483 5568 17107 20712 24984 23886 20105 15430 22875 24776 1 4150 13923 14501 17740 20234 17034 18321 1 8529 18667 17726 10872 19280 29357 15935 17944 18820 25206 18494 1 8513 82947 79035 10382 17540 16976 17033 13707 15738 18566 1 19401 15554 14760 12021 1 10872 16686 17076 12875 12840 22642 18925 12203 16644 11721 17997 HMDB03039 326.1899 *326.1899* Isoacitretin - 1.974581 42446 43589 40111 38529 45687 45496 80790 81313 49305 52618 52490 55411 31250 28479 33157 33049 34848 34954 46122 49284 43708 46817 29111 26515 34537 36404 36416 35020 32593 33678 37746 38659 42917 46014 34558 34284 37743 36283 41198 45193 35869 33386 40198 40196 41965 40908 40915 38102 37407 35960 50982 49151 28237 26891 36647 39343 58812 57924 45563 47539 40375 43136 34349 34809 40669 39166 30896 33159 38806 46595 25234 24322 27795 28478 28647 27322 40057 38685 49477 50661 42179 41952 56407 56645 57455 59531 19548 20292 47658 50421 HMDB03039 326.1899 *326.19* 326.19@1.6383961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.19 *326.1901* Isoacitretin - 0.9586385 56493 53741 35693 35509 111276 108664 84996 86844 45576 46151 134833 133706 89057 90845 60839 59199 71970 73505 128632 130112 36808 34530 87366 86079 91085 94620 53773 53724 175677 173046 55965 60566 89098 89530 106550 101452 39893 40433 52187 53939 41231 41497 45170 42967 62597 64128 40259 41671 42057 40113 50121 50581 44923 46691 94745 94650 52594 51821 48355 50702 63788 60041 76218 76979 64586 63548 101329 102327 72544 74268 70356 69379 38799 38797 42995 41244 79536 78042 86794 88013 136546 139901 76195 80285 146849 147139 121271 122703 45982 45536 HMDB03039 326.1901 *326.1901* 326.1901@2.236399 1 1 1 1 1 1 1 12713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7648 1 326.1901 *326.1902* Isoacitretin - 2.0960872 1 1 32664 31099 27429 28636 24339 24512 30637 26976 1 22506 32020 28781 25288 19836 33115 32204 24250 20306 33657 37931 33446 31179 27651 23914 27168 35378 35798 1 26531 27763 30417 37020 1 1 27838 24877 33090 30682 1 1 49891 52668 31058 26334 26244 27432 19516 15426 15303 1 23469 21812 26964 24996 18059 16695 23732 28459 21232 1 28182 23698 25286 22627 28119 26350 22392 11775 24529 23566 32140 33905 1 22532 11484 25358 18233 18764 20832 19505 25101 25798 20333 24994 15122 22019 12959 10576 HMDB03039 326.1902 *326.1902* 326.1902@2.142913 1 17572 1 1 1 3102 1 2041 1 1 17910 1 5873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 1 1 1 1 1 1 1 1 1 25815 19709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15158 1 1 1 1 1 1 1 1 1 1 1 1 1 3983 1 326.1902 *326.1908* Isoacitretin - 2.8331037 11659 13083 15308 12333 13999 13107 11764 1 17693 11203 9352 10863 14849 1 6962 10103 1 1 15868 14778 5825 11810 1 15503 11079 11784 13926 16307 11854 15588 15783 1 9563 14582 18280 9546 14247 14770 11153 15264 1 9699 8578 14332 6754 5663 2898 9451 5158 7669 21916 1 11895 6903 1 5782 7512 5249 1 1 1 9972 5176 11477 10914 12444 9280 1 9111 10894 12311 12088 2553 11774 1 1 12762 1 1 9902 12410 12445 12202 14603 10872 10877 1 1 1 1 HMDB03039 326.1908 *326.1908* 326.1908@2.8271072 1 1 1 1 1 1 1 1 1 6541 4136 4647 1 1 8789 1 1 1 1 2252 1 1 1 5783 1 2355 1 1 3429 1 1 1 6881 1 1 4183 1 1 1 1 1 1 5226 1 1 5346 1 3117 1 1 1 1 1 5678 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1908 *326.1928* 326.1928@1.1013943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27335 17571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76471 76984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1928 *326.196* C16 H22 N8 1 109637 8499 14863 33178 24779 138370 1 1 1 20342 1 14478 15958 103731 163711 9308 79465 28021 14148 112609 169286 1 20942 1 20872 22608 21191 9502 435314 29608 1 97336 21564 18562 12695 1 21307 1 1 19434 1 29761 28512 1 209592 251503 162798 6966 1 1 1 16845 6623 8234 15948 47671 1 1 9489 6165 7720 4927 5021 11191 19692 8302 358893 173441 8693 11893 6000 12756 8180 1 1 215841 217964 18198 151681 1 1 5354 1 1 1 1 1 6547 12870 326.196 *326.2031* 326.2031@1.0537806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14999 1 1 1 1 1 1 31865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2031 *326.2036* 326.2036@2.6671252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10818 9613 1 1 1 1 1 1 10655 11161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2036 *326.2124* 326.2124@1.0795121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5211 6372 1 1 23670 26120 1 1 326.2124 *326.2249* 326.2249@1.0792915 1 1 1 1 1 1 1 1 1 1 1 1 1 8578 1 1 1 1 1 1 1 12166 1 1 1 10052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24563 1 1 1 22107 23955 1 1 1 1 1 1 1 15975 1 1 1 1 1 1 1 1 1 1 19457 1 1 1 1 18144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2249 *326.2312* 326.2312@1.0851022 1 1 6972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23115 1 1 1 1 1 1 1 1 1 14254 11195 28638 1 1 1 1 1 1 10104 1 1 1 1 23388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2312 *326.2379* 326.2379@1.0937414 14700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2379 *326.9718* 326.9718@0.82 1 1 1 1 1 1 1 1818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.9718 *327.0003* 327.0003@1.1434026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.0003 *327.0897* 327.0897@1.1323149 1 1 11839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.0897 *327.0938* 327.0938@5.8320518 1 1 1 1 1 1 8066 7969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4176 3574 1 1 327.0938 *327.0944* 327.0944@5.6705437 3250 2830 1 1 1 1 21246 20345 1 1 1 1 3754 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3256 2968 1 1 1 1 1 1 1 1 1 1 2617 2737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8811 8803 1 1 327.0944 *327.1034* 327.1034@5.43782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3794 3598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 4620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1034 *327.1725* 327.1725@1.150184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4773 1 1 1 1 1 327.1725 *327.1935* 327.1935@2.0881696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7760 1 1 7922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1935 *327.1946* 327.1946@1.0333351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 1 1 1 1 1 1 1 1 1 327.1946 *327.2001* 327.2001@1.0435783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2001 *327.2051* 327.2051@1.0365592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 327.2051 *327.2143* 327.2143@1.0819871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 327.2143 *327.2263* 327.2263@1.0826479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 2376 1 1 1 2650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3973 3978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3167 1 1 1 1 327.2263 *327.2343* 327.2343@1.0829225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2343 *327.2402* 327.2402@1.0691915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2453 1 1 1543 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2402 *328.0278* 328.0278@1.1037395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.0278 *328.0495* 328.0495@1.0280163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16428 16015 1 1 1 1 328.0495 *328.0937* 328.0937@2.0176382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8111 3612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.0937 *328.1124* 328.1124@1.974081 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1124 *328.1342* 328.1342@1.0567989 1 1 1 1 1 1 1 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1342 *328.2018* 328.2018@1.9726652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 1 1 1 1 1 1 1 1 1 1 328.2018 *328.208* 328.208@1.1554233 1 1 1 1 1 1 1 1 1 1 1 3353 3984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.208 *328.2082* 328.2082@1.9767928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 3429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2082 *328.2155* 328.2155@1.1570702 2794 4261 1 1 1 1 5473 5060 5112 10070 5157 1 1 4284 1 1 4458 3909 1 7999 1 1 10685 5432 1 1874 1 1 1 1 1 1 1 1 4402 3997 1 1 1 1 3705 1 1 1 1 1 1 1 1 1 1 10780 4177 4048 1 2664 1 1 1 1 1 1 1 1 4192 1 1 1 1 1 1 1 1 1 3714 1 1 1 1 1 1 1 1 1 10292 4126 1 1 1 1 328.2155 *328.2192* C19 H28 N4 O 1 1 2817 3487 1 6020 1 1 1 1 1 1 1 1 1 9629 1 1 5841 1 3754 1 1 1 8408 1 1 1 1 1 1 3716 2788 1 1 1 6912 4194 1 1 1 1 1 1 11571 10772 7542 6359 5406 7073 13800 1 1 1 1 1 16239 17808 5863 4126 3289 10504 4373 2484 27647 40448 18185 17830 1 3678 1 1 1 1 1 1 3473 3295 12082 1 1 1 5844 1795 1 1 1 1 7552 7829 328.2192 *328.2232* 328.2232@2.6478505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2582 1 1 1 1 1 1 1 1 3566 3897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6706 7571 1 1 1 1 1 1 7895 8433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2232 *328.2253* 328.2253@1.1507996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2253 *328.2302* 328.2302@1.1378561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17135 16922 10264 22540 8845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2302 *328.2407* 328.2407@1.0363909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2407 *328.2408* 3,9,15-Docosatriynoic acid - 1.0828342 102837 9062 1 1 1 1 1 3643 1 1 116859 112254 1 1 10155 1 5278 10170 243072 245791 1 6031 117892 117926 1 1 1 1 173251 167604 1 1 1 1 1 1 6593 7140 1 1 6814 5297 1 5238 1 1 1 145321 1 1 1 1 1 1 5383 1 1 1 1 1 1 1 20590 1 173410 177851 1 1 1 1 12505 8672 2535 1 1 1 1 1 1 10154 6849 10012 1 81761 1 1 1 1 1 1 328.2408 *328.2413* 3,9,15-Docosatriynoic acid 1 103126 50549 51941 65357 63775 41811 39098 27693 26681 1 1 65306 68386 33072 37131 27331 26934 1 1 176095 178344 1 1 81205 79011 39870 39649 1 1 144383 146276 81424 81835 1 39612 62041 62779 182941 172967 32683 33865 109783 105853 155859 158430 148861 1 45073 45212 100257 99309 39518 40261 51870 53068 65648 68198 91569 90215 29747 30832 2248 22485 1 1 56113 55926 50115 48997 266202 1 45733 46810 78588 81644 93036 94227 171110 170158 116966 112726 79809 1 75324 1 223263 214011 35032 34982 328.2413 *328.252* 328.252@1.9782448 1 1 1 1 1 1 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 2192 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 1 1696 1 1 1 1 1 1 1 1 1 2353 1 1 1 1 2701 2876 1 1 3079 1 328.252 *328.2577* 328.2577@1.1112868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30736 31968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2577 *328.3939* 328.3939@1.0360066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.3939 *329.0021* 329.0021@1.6476384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8379 8421 1 1 1 1 329.0021 *329.1679* 329.1679@2.9000416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.1679 *329.2404* 329.2404@1.1164379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2404 *329.9821* 329.9821@1.214809 7143 5423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18271 20224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23444 27377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12104 11577 329.9821 *329.9959* 329.9959@1.1495569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.9959 *330.0065* 330.0065@1.2905436 1 1 1 1 1 1 53586 52845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0065 *330.0076* 330.0076@1.1510414 1 1 1 1 1 1 543265 539442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0076 *330.0187* 330.0187@1.1045668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53941 53967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29832 11908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10512 9939 1 1 1 1 1 1 1 1 1 1 17482 16895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0187 *330.0522* 330.0522@2.7966115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13266 12477 1 1 1 1 330.0522 *330.0849* 330.0849@3.662724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4633919 4618652 1 1 1 1 330.0849 *330.0884* 330.0884@0.75248665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7875 7120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8750 8488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0884 *330.095* 330.095@1.0472071 1 1 1 1 1 1 1 1 2749 3300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.095 *330.118* 330.118@1.1843011 1 1 1 1 1 1 1 1 1 1 1 1 6406 5793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.118 *330.158* 330.158@2.0212767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.158 *330.159* C17 H27 Cl O4 1 7203 8412 1 1 1 7258 6002 5673 7149 5484 4167 1 5781 5644 1 7771 6499 7390 5838 7575 1789 7463 5497 8173 4883 5406 6128 7647 9680 7335 7326 7611 5545 7484 1 6824 7418 5354 1 1 4764 9374 13141 5263 6212 8231 7426 3426 7903 5497 6291 9233 1 10779 4863 1 6976 7385 8060 7227 5664 6121 8217 7614 9802 13386 11305 7332 7116 8566 7702 7218 8540 5284 6533 6373 6730 1 8709 7995 9575 7932 9676 7859 6879 3737 3781 11704 7528 330.159 *330.1639* C17 H28 Cl2 N2 1 1 1 1 4390 4406 23419 10983 5974 6158 1 1 12103 12986 9657 9310 28825 27608 1 2453 1 1 1 1 7546 9187 7953 7491 13164 13656 3987 4949 1 1 6369 6119 1 1 7981 8414 10530 10262 7038 7367 1 1 1 1 7613 7308 8212 8362 12503 12284 1 6265 4373 4902 1 1 1 1 4338 4094 1 1 1 1 4969 1 1 1 8962 8727 5778 5561 4248 1 5999 6854 6794 6010 5170 1 1 1 1 1 5628 1 330.1639 *330.1644* 330.1644@1.0426172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1644 *330.1721* 330.1721@1.1487818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7102 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1721 *330.1722* 330.1722@1.125614 11353 12035 6022 5515 1 1 1 1 1 1 9432 9378 2899 3481 1 1 1 1 1 1 2036 8001 12026 12862 1 1 1 1 1 1 1 1 12816 12873 1 1 1 1 1 1 1 1 1 1 1 1 7507 7175 1 1 1 1 1 1 6974 1 1 1 1 1 4755 5307 1 1 1 1 1 1 1 5563 1 1 1 1 1 1 1 5046 1 1 1 2235 2318 5196 1 1 6205 6753 1 4238 330.1722 *330.1735* 330.1735@1.1240408 1 1 1 1 1 1 1 5848 1 1 1 1 1 1 1 1 1 1 29722 29630 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 18260 14679 1 1 1 1 1 1 8693 8540 1 1 1 1 1 1 1 1 1 1 1 1 12387 11944 1 1 1 1 28611 26967 5259 6107 1 1 14153 13432 1 1 1 1 1446 1 1 1 1 1 1 1 8519 9435 1 1 1 1 330.1735 *330.2213* 330.2213@1.1734867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4887 1 1 1 1 1 1 1 1 5128 1 4619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4423 5342 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 330.2213 *330.2261* 330.2261@1.1625764 1 2636 2950 1 1 6837 1 1 1 1 1 4502 1 4971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15382 1 1 1 1 3324 2828 1 1 2716 1 1 3321 3623 1 1 1 1 1 1 1 1 1 1 1 1 5554 2842 1 1 1 1 1 1 1 1 18063 1 1 1 6893 8342 1 1 5091 1 3539 1 1 1 1 1 5391 1 1 1 1 1 6377 5660 1 1 330.2261 *330.2332* C20 H30 N2 O2 5271 4170 1 1 4494 1 8315 8745 3018 1 3907 1 7786 1 1 1 5984 3923 1 1 5905 1 1 1 1 1 1 1 1 2360 1 4524 1 1 1 4740 1 1 11940 5646 1 2098 4424 3324 1 1 1 3987 9927 9693 1 1 4489 7377 1 3110 1 1 11305 11978 15287 15003 7308 6428 1 1 1 1 3699 1 1 1 1 1 1 1 5852 3380 1 6167 1 4419 8283 8447 1 1 1 1 7188 9128 330.2332 *330.2548* 4,7,10,13,16-docosapentaenoic acid 24714 23492 10813 15565 15195 14818 17074 15930 8147 6592 17866 17944 21109 21386 9764 8921 8303 5952 30946 31106 35024 37057 24018 24858 25498 23256 17077 16404 39656 39363 37258 37252 14495 14439 11124 11021 23891 25600 47746 47568 7418 7515 29337 29358 25514 24607 25809 26298 7975 7461 43448 43331 8953 9465 10959 13558 15015 14824 32684 23062 8314 5919 5529 6152 22625 18893 9592 9363 11097 11582 33567 33984 11265 10765 20961 20729 21294 21399 25096 26787 30308 27830 15161 14634 17752 17863 113789 110880 6379 6740 330.2548 *330.2974* 330.2974@3.6587253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7234 4857 1 1 1 1 330.2974 *331.0345* 331.0345@2.9950833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0345 *331.0352* 331.0352@3.0029426 1 1 1 1 1 1 6068 5746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8282 3766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0352 *331.0842* C20 H13 N O4 37022 35284 24457 26521 21711 21142 24705 24914 28399 26875 23751 22710 13921 13766 19287 17051 14686 14264 20369 19292 11229 11325 10439 11279 15061 14597 12893 12768 10938 10840 7480 7943 10832 9955 9397 9296 6508 6516 6725 6240 7692 7561 5998 5991 6680 6173 5417 5863 5230 4675 5063 4649 4872 4858 4435 4213 4991 5483 4460 4141 4542 4223 3202 3472 3075 3098 3184 2979 3035 3221 1 1 1 1 3240 2968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0842 *331.0897* 331.0897@2.3636205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 331.0897 *331.0923* C15 H9 N9 O 6340 7746 5715 5185 8303 7355 6240 6656 7265 7611 7068 7914 5372 5607 1 1 1 1 7228 7445 5371 5803 4473 4336 1 1 6477 5646 5033 5204 5564 5968 5524 5442 1 3976 6006 6783 4933 4382 6016 6209 6085 5369 4503 4619 5857 5850 6102 5407 5463 5053 4957 4757 5029 5929 6818 7811 9562 11215 2095 7139 1 1 5069 5661 7363 7478 6212 5438 13194 11589 4698 4434 1 1 1 1 5314 5836 6389 6533 7352 8759 6062 6195 7498 7172 6999 4435 331.0923 *331.0952* 331.0952@2.3127873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0952 *331.1053* 331.1053@3.9674997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.1053 *331.1484* 331.1484@2.0805647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6080 3797 1 1 1 1 331.1484 *331.9253* 331.9253@2.4546516 1 1 1 1 7305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.9253 *331.9255* 331.9255@2.2374694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.9255 *331.9255* 331.9255@2.0889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.9255 *331.9692* 2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid 1 1 1 1897 1 2163 2506 2484 1 1 1 2043 1 1 1 1 1 2353 2758 2784 1 1 1 2440 2556 2838 2278 2351 1 1 1 1 1 1 2239 2250 2289 1 1 1 2482 2377 1 1 2288 2638 1 1 2558 1 2464 2434 2544 2561 1 1 2464 1 1 1 1 2242 2339 1 2477 1 2760 2615 2505 2615 2764 2948 1 1 2207 2331 2259 2393 1 1 2616 2488 1 2155 2436 2494 2904 2619 1 1 331.9692 *332.0591* 332.0591@1.2975436 1 1 1 1 1 1 6275 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0591 *332.0675* Fluorescein 12618 10090 6698 7833 6789 7527 20236 22752 7605 7453 7319 6229 1 1 7023 7686 7577 7248 11175 8705 5630 5475 5524 6288 5157 5537 5917 5167 6822 6634 4980 5921 9148 8217 2692 2805 4669 5599 3278 4581 5993 5404 2986 2838 5460 6033 5457 4028 3219 3898 6143 6382 3080 2901 3848 4275 7778 7084 4413 4656 3664 3914 2487 2259 5596 4879 5155 5645 3737 4468 4177 2472 2481 2948 1 3326 3522 5029 16052 13276 9620 7015 6545 5437 10096 9426 5791 5798 5122 6390 332.0675 *332.0726* 332.0726@1.2492195 1 1 1 1 1 1 1 1 1 1 1 1 8138 7748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3921 1 1 1 1 1 332.0726 *332.0919* 332.0919@1.2829745 1 1 1 1 1 1 1 1 1 1 1 1 9976 10290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0919 *332.0972* 2,4-DICHLOROPHENOXYACETIC ACID, ISOOCTYL ESTER 3024 2504 1 1 3582 4461 7395 6939 3331 2604 4315 4121 2431 2432 2182 1 3727 4212 3762 3405 1 2331 1 1 6791 6208 3076 2601 2227 1 1 1 6575 6730 3148 2531 3013 3803 3332 2839 1 1 1 1 5464 5372 1 1 1 1 6691 6713 1 1 2164 2286 3177 3801 1 1 1 1 1 1 7914 7914 6804 6785 1 1 3600 3344 2531 2334 1 1 3192 3326 4296 4388 3016 2870 1 1 4079 3744 1 1 6034 6085 332.0972 *332.0974* 332.0974@5.83819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1674 1 1 1 1 1 1 1 1 1 1 1717 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0974 *332.1002* 332.1002@2.8121192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6532 5385 1 1 1 1 332.1002 *332.1011* 332.1011@2.7200665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14028 18040 1 1 1 1 332.1011 *332.1038* 332.1038@1.6776307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1 1 1 1 1 332.1038 *332.1076* 332.1076@1.7082249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6307 5243 1 1 1 1 1 1 1 1 332.1076 *332.1259* 332.1259@0.82594746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4160 3527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1259 *332.1338* 332.1338@1.3291659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6534 1 1 1 1 1 1 1 1 1 1 332.1338 *332.1369* 332.1369@1.3324066 1 1 5178 5644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8232 9347 1 1 14113 11204 1 1 4942 6474 9291 9305 1 1 9751 8765 1 1 1 1 1 1 1 1 1 1 5477 4557 1 1 4808 6939 1 1 1 1 1 1 1 1 10151 1 1 1 1 1 1 1 1 1 1 1 8123 7334 1 1 1 1 1 4378 9560 2878 11852 11027 9656 11569 1 1 1 1 11142 11984 332.1369 *332.1806* 332.1806@3.2218971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9182 1 1 1 5678 1 1 1 1 1 1 1 4836 1 1 5440 1 1 1 1 1 1 1 1 1 1 1 7536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8162 1 1 1 332.1806 *332.1807* 332.1807@1.1139481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5257 5999 1 1 1 1 1 1 1 1 1 1 1 1 6403 7545 1 1 1 1 1 1 1 1 1 1 6923 7016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 1 332.1807 *332.1812* Ser Arg Ala 12837 14171 1 1 8494 11190 48440 46968 19207 19121 1 5886 27971 27947 9441 10512 1 1 229982 227061 1 1 25428 27434 8127 6969 1 1 14729 6042 1 1 16922 13859 1 1 1 1 1 1 13599 8712 1 1 20178 24402 1 1 1 1 50599 62615 11581 11067 9325 10485 10068 12707 8295 6880 52940 52845 1 1 50694 50054 8868 9515 1 1 16466 16374 1 1 1 1 1 1 41269 44867 60529 62093 1 1 43283 41297 6794 14653 11005 10252 332.1812 *332.1897* C22 H24 N2 O 3035 1 4102 4423 1 1 1 1 1 6156 1 1 8452 8609 7809 7843 1 1 3269 3855 1 1 2293 1714 4718 5513 1 1 2214 3302 1 1 1486 2189 6109 5922 1 6659 3587 1 1 1 5238 5054 1 2321 1 2363 6587 6798 9087 8656 1 1 3841 5167 1 6773 1 1 3718 4380 5786 4036 1 1 1 1 5715 4888 1 1 1 5671 1 1544 5439 1 1 1 6625 7368 4975 6123 8201 9279 1 1 3873 6993 332.1897 *332.1939* 332.1939@1.1845737 1 1 2166 1 1 1 1 1 1 1 14698 1 2507 3420 1 1 1 1 1 1 1 1 16360 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1 1 1 1 1 1 3721 3996 1 1 1 1 1 1 1 1 1 2333 1 1 1 1 1 1 1 1 1 1 1 1 332.1939 *332.1949* C16 H32 N2 O S2 12683 12175 2941 1764 5299 1 4558 4839 2477 2433 4288 4420 4979 4454 2521 2046 1371 1 21153 21087 10007 9718 3308 16074 2067 2268 1 2385 13379 12264 1829 6338 13228 12889 1 2418 4375 1 2497 1750 2686 2562 2286 2799 13497 13427 8546 9233 2196 1904 6019 2800 2695 2650 2608 2247 6743 1930 9161 2453 2478 2547 1 1 154426 153233 8526 8592 1 1 27331 29712 1 1 6720 7363 1998 5931 9954 9292 3961 4193 1969 2992 4286 4688 5367 4285 1 1 332.1949 *332.2021* 332.2021@1.0375032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2021 *332.2143* 332.2143@1.0476326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2143 *332.2225* 332.2225@1.0486923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2225 *332.2287* 332.2287@1.0455178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2287 *332.2368* 332.2368@1.0519112 16530 15794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9319 10571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2368 *332.2632* 332.2632@1.10899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13498 1 1 1 1 1 10262 1 2543 2677 1 1 1 1 1 1 1 11148 1 1 1 12874 1 1 1 1 1 1 332.2632 *332.2681* C17 H36 N2 O4 1 1 3805 1 6349 7611 1 1 1 1 1 5352 1 1 1 1 1 1 6237 7115 10144 10283 5071 5056 1 1 1 1 1 1 11652 13022 4144 4367 3297 4232 1 1 17252 15710 1 1 11247 10105 5593 5524 7298 6089 2163 1 23919 21065 2638 1998 1 1 6321 6734 1 8021 1 2172 1 1 1 2947 3356 3633 2903 3559 5001 5341 1 1 7398 6699 7792 6543 11202 11032 1 1 4402 3940 5713 6217 50198 50968 1 1 332.2681 *332.9193* 332.9193@0.9062828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.9193 *332.9402* 332.9402@1.1108602 7462 4120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20301 21265 4007 4065 3652 3470 1 1 1 1 1 1 2170 2858 4019 3773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21901 22379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7851 4858 1 1 1 1 332.9402 *333.1238* 333.1238@2.6809628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6155 5623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1238 *333.185* 333.185@3.1752303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.185 *333.2134* 333.2134@6.1422224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.2134 *333.9275* C6 H11 Cl N4 S5 3320 3222 2909 2708 3007 3113 3512 3280 3237 3263 2914 3167 3114 3098 3643 3365 3330 3376 3932 4119 3471 3266 2830 3061 4302 3721 2952 3423 3697 3340 3058 3561 3623 3367 3567 3789 3413 3500 3758 3361 3577 3418 3184 2884 3707 3361 3504 3626 3440 3532 3817 3848 3870 4103 3479 3270 3638 3650 3675 3472 3849 3657 4026 3933 3873 3615 4136 3913 3960 4052 4963 4562 3367 3862 3359 3734 3618 3593 3865 4230 3951 4114 4058 4070 3813 3904 3893 4569 3731 3605 333.9275 *334.0148* 334.0148@0.7315538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12168 10351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0148 *334.0282* 334.0282@0.9559469 1 1737 1 2181 1 1 1 1 3483 1 1 1 1 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8370 1 1 1 5480 6259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0282 *334.0289* C10 H10 N2 O11 13623 12079 16503 14168 16246 16458 11756 11972 11707 15258 15714 17313 16108 13609 18286 17890 18683 18879 19682 18968 19082 21186 19441 19194 19630 20576 17169 17451 18804 19209 24315 24412 23370 24891 23049 22813 24620 25192 23427 23106 24281 24657 25453 25674 21536 21316 21273 20693 24132 24323 24195 24106 25748 25302 26416 25286 25150 24433 22604 22848 23117 24204 19378 27811 19740 23289 20866 21032 26711 27051 25409 25887 25172 24627 29357 30358 23842 22847 20682 20425 23184 23129 23129 22201 21925 21125 21723 21429 23295 23856 334.0289 *334.048* 334.048@1.1963003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 2015 334.048 *334.0517* 334.0517@1.1993092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0517 *334.0905* 334.0905@1.5989777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0905 *334.0933* 334.0933@1.626079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6087 5680 5297 1 1 1 1 1 1 1 1 1 1 1 4057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7316 1 1 1 1 1 5425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4828 334.0933 *334.1014* Penicillin G 1 1 1 1 1 1 4322 1 1 1 1 1 1 1 1 1 1 1 1 4102 3658 1 1 1 1 1 1 3800 1 1 1 1 1 5075 1 1 1 5880 4389 4386 1 1 3965 3937 1 1 1 1 1 4369 4456 3721 1 1 4694 4761 1 4425 1 3693 1 1 1 1 1 1 4303 4254 1 1 1 5255 3928 1 1 1 4131 4564 4958 4743 4780 6958 8748 8692 6179 5955 6491 6588 1 1 C05551 334.1014 *334.1412* 334.1412@0.82083666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7506 7139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1412 *334.148* Thr Ser Gln 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 1929 1 1 1 1406 1 1 1 1 1 1 1 1778 1 1 1 1 3012 2778 1 1 1712 1 2406 3021 1 1395 1645 1707 1963 1 1656 1 1920 1688 4126 3945 1 1 1784 1934 3415 2919 1 1 4221 4374 1 1 1 1 1598 1 1 1450 2111 2258 2965 3465 2016 2255 1 1 1 1600 334.148 *334.1762* 334.1762@1.2885617 11381 12567 6801 7495 1 1 17670 16798 5450 5705 17197 17229 18689 16806 13992 12437 1 1 1 1 1 1 29632 4372 13579 16443 7162 7305 18328 15477 1 1 1 1 6475 7667 9886 8200 1 1 5021 5466 1 1 1 1 1 1 1 1 6201 1 1 1 9545 9633 1 3390 13579 12843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1762 *334.1773* 334.1773@1.3011267 1 1 1 1 1 1 1 1 1 1 1 1 1 3573 1 1 1 1 1 1 1 1 1 23477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1773 *334.1778* 334.1778@1.108462 1 1 5440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6269 6903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1778 *334.1867* 334.1867@1.1750333 8401 9465 1 4352 1 1 1 19033 1 1 17896 15314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3437 1 1 6926 6175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1867 *334.1927* 334.1927@1.1802388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13333 12478 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1927 *334.2002* 334.2002@1.148986 1 1 1 11130 1 1 1 1 1 1 1 1 1 1 12326 13745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2975 1 1 1 1 1 1 1 334.2002 *334.2045* 334.2045@1.1815996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3051 1 1 1 1 1 1 334.2045 *334.2119* C16 H34 N2 O S2 1 1 11190 1 15291 14835 1 1 31845 14971 20933 1 82027 82696 1 1 1 1 20728 19086 4201 1 87678 88724 1 1 19614 1 19284 19697 2384 2473 18148 17490 49036 53643 1 8246 8228 8760 16149 17044 14397 14910 7257 6801 10123 10066 18028 18412 1 8789 5383 9430 1 1 10982 1 19328 19494 6550 6223 6796 1 12971 11650 11808 12067 5454 4561 28760 26320 68395 70189 11310 12784 3408 4426 2234 2991 10027 8842 1 1 19298 18232 4027 20865 18390 17624 334.2119 *334.213* bicyclo-PGE2 27761 28900 1 1 9244 9011 13800 14158 15823 32264 19730 21927 36423 37377 1 1 10691 11639 17458 18075 11644 14380 16197 17098 28717 21770 9683 21621 39132 23499 19336 20049 59043 58078 10610 8636 10396 10839 22134 23164 16625 15627 11953 12276 13166 28227 13002 13352 9555 9424 25478 15668 9700 5787 9870 11925 10497 21441 15161 15375 13734 13927 15978 19193 107380 108242 13876 13320 11038 11628 91579 94992 8975 9393 18481 19575 16328 15413 19212 19742 19146 21513 11967 11091 17077 17358 21847 3826 13009 13207 334.213 *334.214* 334.214@1.0558002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.214 *334.9381* 334.9381@1.1108322 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 2976 3445 2427 1 1 1 1 1 1 1 1 2987 2673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3613 1 1 1 1 334.9381 *335.0085* 335.0085@1.1165277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.0085 *335.0523* 335.0523@2.8752723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.0523 *335.058* 335.058@1.2004504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7859 8994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.058 *335.1249* C13 H22 Cl N3 O5 28975 29173 18955 18784 22766 23037 17330 16456 32402 32076 22691 21872 31154 31490 66739 63608 24207 24513 26271 26827 22974 22996 24261 24361 46832 47109 19452 18902 27398 26970 22720 23593 3094 3323 1 1 41443 41550 26212 27189 52303 52057 4514 4542 10664 11112 28314 29519 33900 32683 30560 29874 37083 35187 28685 29254 35334 36056 23533 22693 38510 39186 29287 30352 11686 12254 16538 16194 38658 38738 21966 21436 5168 5110 32633 32648 28840 28994 23538 23296 27533 27336 12203 11419 16578 16686 31761 30632 15677 15378 335.1249 *335.1749* 335.1749@7.4578075 1 1 15966 15293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1749 *335.1778* 335.1778@1.194678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1778 *335.1862* 335.1862@1.1906365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1862 *335.1984* 335.1984@1.1884149 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1984 *335.2283* 335.2283@1.1819075 1 1 1 1 1 1 1 1 1 1 7467 7581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5638 6780 1 1 1 1 5343 1 2746 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.2283 *335.2338* 335.2338@1.1795199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5758 5851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.2338 *335.2434* 335.2434@1.1831274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3419 3438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2971 1 1 1 1 2215 1 3089 2656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.2434 *335.2487* 335.2487@1.18204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.2487 *335.2544* 335.2544@1.1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4619 4622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2221 1 1 1 1 1 1 3415 3475 1 1 335.2544 *336.0286* 336.0286@0.72419214 1 1 1 1 4347 5098 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 3607 1 1 1 1 1 1 1 2360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0286 *336.0287* 336.0287@1.2914903 1 1 1 1 1 1 1 1 1 1 1 1 33398 33260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0287 *336.0298* 336.0298@1.1958209 1 1 1 1 1 1 1 1 1 1 1 1 4466 5769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0298 *336.0602* 336.0602@2.2476068 1 1 1 1 1 1 27306 25585 1 1 1 1 1 1 1 1 1 1 3911 3995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0602 *336.1005* 336.1005@5.3865867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3505 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1005 *336.1197* 336.1197@1.1409465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 3239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 1 10122 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3062 336.1197 *336.1218* C10 H20 N6 O5 S 137473 140327 86414 87323 104774 107287 79728 77106 146962 149817 101174 103514 146030 144983 314991 311058 116400 119803 127045 128060 108812 107058 113424 110721 222619 223815 92148 89123 126148 125343 106685 109516 11840 12711 11702 12085 202980 203620 127898 128091 248206 250411 18340 19090 50807 51263 135264 136715 157539 157155 141250 138601 175259 173148 136649 136330 168653 169383 111970 108730 178774 180029 138373 141229 52466 54772 79720 77551 181101 185367 100960 99431 22886 23098 148887 150343 134215 133594 107541 109699 134725 133421 54951 54293 77752 77408 149751 146741 69373 72368 336.1218 *336.1565* 336.1565@1.3031725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6674 6293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1565 *336.187* 336.187@1.1380571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 1 2177 2292 1 1 1 1 1 1 1 1 1 1 1 1 3461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 2516 1 1 336.187 *336.1936* 336.1936@1.1460682 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1936 *336.1958* 336.1958@1.127497 5864 1 1 1 1 1 8261 4793 1 1 1 3409 1 1 3513 1 1 1 1 1 1 1 1 5385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 4394 1 1 1 2927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12385 1 1 1 1 1 1 1 1 1 336.1958 *336.2098* 336.2098@1.13739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2098 *336.2121* 336.2121@1.1304398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6381 1 1 1 1 1 1 4239 1 1 1 1 1 4106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2121 *336.2231* 336.2231@1.1436901 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 12710 1 1 1 3018 1 1 1 1 1 1 4164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2231 *336.2269* C11 H29 Cl N10 1 1 7307 7325 8772 8362 7886 8315 11763 9957 1 1 1 1 10537 1 8941 10444 10262 10181 14575 12991 9165 9350 1 10424 9412 14097 1 17540 12606 10253 15888 15542 7059 6286 9167 8895 11144 15214 8199 8511 7935 8243 9481 1 9524 10273 7261 7556 12859 11444 11189 11023 8041 1 12740 10326 11702 10568 10679 8160 9217 9167 80279 80234 17678 12791 11578 11317 21660 22778 9202 7587 13814 12166 12508 11894 16331 16730 9883 7133 8469 10081 14516 13555 10039 9931 10916 10614 336.2269 *336.2302* 336.2302@1.186061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 1 1 1 1 1 1 1 1 1 1 336.2302 *337.0436* 337.0436@3.5225592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8320 27401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10772 6115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0436 *337.0441* 337.0441@3.5209246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0441 *337.0715* 337.0715@1.7357482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0715 *337.0731* 337.0731@1.4578892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 5700 1 1 1 1 1 1 1 1 1 1 1 2822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0731 *337.0733* 337.0733@1.5546724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30482 18904 1 1 1 1 1 1 1 1 1 1 20727 15363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0733 *337.0734* 337.0734@1.6265969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49567 58724 1 1 1 1 1 1 1 1 1 1 45871 47380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0734 *337.1108* C23 H15 N O2 5147 5009 4355 1 5639 5631 6795 5949 1646 6166 5846 3625 4897 4987 1 1 1 1 5798 6221 4637 1 1 1 1 1 4384 1 4290 1 4855 1 5273 4753 5424 4934 4941 5104 4777 4174 5699 5608 1 1 1 3983 4686 4844 1 1 5314 4980 1 4699 4214 1 3236 5314 4146 5348 1 1 1 1 4694 4976 6553 6257 5153 4858 9204 8463 3888 1 4339 1 1 1 1 1 4642 4549 4402 4989 5328 5392 6916 6453 4797 5155 337.1108 *337.111* 337.111@2.346185 1 1 1 1 1 1 1 1 4418 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.111 *337.1295* 337.1295@4.2257032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.1295 *337.1326* 337.1326@3.0224357 1 1 1 1 1 1 1 1 1 1 1 1 5538 5943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.1326 *337.1404* 337.1404@3.6755145 1 1 1 1 1 1 1 1 1 1 1 1 4095 3652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14590 14536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10925 10467 1 1 337.1404 *337.2257* 337.2257@1.1297045 1 1 1 1 1 1 1 1 1 1 1 1 4419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.2257 *337.9895* 337.9895@0.74976707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7204 1 1 1 1 1 1 1 1 1 1 337.9895 *338.032* 338.032@1.1512738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 2498 1 1 1 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.032 *338.0802* 338.0802@1.2973789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15820 4324 1 1 338.0802 *338.0819* 338.0819@1.2578642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0819 *338.1394* 338.1394@0.8508643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6854 6875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.1394 *338.1774* 338.1774@1.1700836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 4073 1 1 338.1774 *338.1885* 338.1885@1.1353966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.1885 *338.206* 338.206@1.1450868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2632 3341 1 1 1 1 1 1 1 1 1 1 1 1 2630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.206 *338.2113* 338.2113@0.80932796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143974 146539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2113 *338.2165* 338.2165@1.1514144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1894 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 3173 2527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4806 1 1 1 2032 1 1 1 1673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8076 1 1 1 1 1 338.2165 *338.2219* 338.2219@1.1764747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2219 *338.23* 338.23@1.1361043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3093 4081 3950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 1 1 1 1 1 1 1 2966 1 338.23 *338.2381* 338.2381@1.0439651 1 1 1 1 20279 21169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14250 16649 17513 1 4404 1 1 5502 5771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3037 3832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1 338.2381 *338.243* C16 H30 N6 O2 30572 13591 11116 10442 45607 31983 11405 25137 19272 18447 27583 13673 11341 12887 20298 19868 22641 13835 11966 11037 30623 32081 13942 34708 41941 11525 51839 72297 49545 46017 18166 18964 73605 81678 8839 11677 23327 30478 38633 39674 13465 13449 9320 9012 22283 22351 20696 19202 1 23244 22012 23306 14127 34110 13713 11634 25647 27276 16620 17507 20728 21114 15566 15740 120722 117644 21555 23114 22458 22049 210399 205796 13536 11933 16076 28069 23066 22413 45225 16213 1 28785 27641 23813 21709 22031 26619 27551 18834 21020 338.243 *339.0185* 339.0185@1.1478634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.0185 *339.071* 339.071@1.5635455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9573 1 1 1 1 1 1 1 1 1 1 1 9247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.071 *339.1674* 339.1674@1.0008456 132160 164716 12143 12385 3744 4802 10356 10007 10210 10210 9308 9488 5008 5328 45688 44676 4149 6614 23988 24290 1 1 15286 15146 17606 18019 9106 8560 27787 28177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.1674 *339.1691* 339.1691@1.0973442 12416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.1691 *339.1764* 339.1764@1.1140584 2682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4049 3270 1 3452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.1764 *339.2268* 339.2268@1.0973343 1 1 1 1 1 1 1 1 1 1 1 1 2092 1894 1 1 1 1 3199 1 1 1 3607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2268 *339.2323* 339.2323@1.0994378 1 1 2603 1931 1 1 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2323 *340.0238* C14 H12 O8 S 14512 15560 1 1 1 1 8524 8077 1 1 2606 24969 4743 4955 1 1 5427 5005 51187 53111 15681 15470 46925 1752 4107 4723 1 1 19696 20666 1 1 11644 8245 1 1 1 1 1 1 1 1 1 1 11468 11047 8473 8212 6062 3874 1 1 1 1 1 1 4358 4923 2840 2693 1 1 1 1 3957 2794 2744 1 1 1 2386 11265 1 1 1 1 1 1 8341 9447 3815 3743 5911 5958 6631 8527 1 1 3611 3339 340.0238 *340.0238* 340.0238@1.2308861 3667 3428 1 1 1 1 1 1 1 1 23379 1 1 1 1 1 1 1 1 16375 3982 1 1 47079 1 1 1 1 1 5866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0238 *340.0242* 340.0242@1.254865 1 1 1 1 1 1 1 1 1 1 3989 4549 1 1 1 1 1 1 15745 1 1 4269 13479 13149 1 1 1 1 5876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 1 1 1 1 1 340.0242 *340.0312* 340.0312@0.732784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 1 1 1 1 340.0312 *340.0588* 340.0588@0.80662155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2471 11655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0588 *340.0591* 340.0591@0.7209868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6203 10826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0591 *340.0633* C24 H8 N2 O 3128 2687 4364 4109 2520 2566 2084 2587 3615 3312 3326 3487 3255 2968 3933 3610 2250 2307 5163 5365 3313 3239 3523 4007 3614 4232 3515 3453 3297 3731 3695 3375 1933 1786 2182 2134 2914 2837 2616 2067 3795 3386 4069 4259 2546 2801 3390 3990 4794 4766 3043 2995 3887 3467 4534 4841 3352 3798 4176 1 5241 4993 2780 2809 2415 2050 3572 3622 4247 3791 4967 5724 3462 3647 3477 3037 4592 4529 3551 3705 5332 4942 5297 5181 5219 4864 3133 3289 4646 4511 340.0633 *340.0715* 340.0715@1.0033972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5028 4849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0715 *340.0822* 340.0822@1.0811229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4851 5178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16369 12636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0822 *340.0992* 340.0992@1.2174375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4044 4222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5286 5715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0992 *340.1729* 340.1729@5.983743 1 1 1 1 1 1 1 1 1 1 1 1 18172 18976 1 1 2830 2841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1729 *340.1896* 340.1896@0.9942679 25868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1896 *340.2051* 340.2051@0.6686734 1 1 1 1 1 4003 1 5647 1 5576 7235 8795 4627 1 7705 1 1 1 7985 1 1 11639 5339 6023 8121 3587 8862 7159 3402 1 6661 8194 10714 1 3281 1 6315 9294 1 10645 1 8605 1 1 7044 1 1 1 1 1 1 7107 1 1 1 1 1 4872 1 1 1 1 1 1 1 5435 1 5036 1 1 1 1 7736 4822 1 3493 2570 8099 6750 1 1 4229 1 1 1 1 1 1 1 1 340.2051 *340.2052* 340.2052@1.3107756 7635 2288 1 1 1 1 5149 5528 1 1 1 1 1 11773 1 1 5825 1 10235 8107 1 1 16524 1 1 1 1 1 1 1 6499 1 1 5475 1 1 12625 1 1 5793 6648 1 1 3768 1 1 1 8211 1 1 1 1 1 1 7485 1 13530 11272 1 1 15810 13859 6396 1 1 1 1 1 1 1 1 1 1 1 1 9614 1 1 8591 9164 1 7342 1 8550 1 11933 2517 1 8868 1 340.2052 *340.2053* D1-2-Hydroxymethylethisterone - 1.9748375 22621 23065 23126 22812 24852 23184 44487 41867 26315 27132 29145 28873 15544 15441 16157 17795 18084 18145 25847 26194 22479 26138 13532 15005 17981 20943 19257 18866 16673 18676 22183 21137 24067 22629 18954 17856 21407 19324 21752 23537 20234 19622 21319 20404 22739 21834 21391 20726 20246 21199 29478 28592 15601 15224 21108 21997 32224 34307 24228 24279 23545 23687 18551 19015 25233 25573 16844 20269 19670 25553 14310 13845 15265 16205 14787 16716 22453 21536 29963 28210 24019 24459 32411 30719 32572 31685 13752 12214 28473 26945 340.2053 *340.2054* 340.2054@1.5197128 1 1 1 1 1 1 1 3436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2996 4731 2580 1 1 1 1 1 1 1 2627 1 1 4521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7254 8695 1 1 340.2054 *340.2056* D1-2-Hydroxymethylethisterone - 2.0968213 11390 8181 18046 16079 15264 14535 12360 13577 14818 13886 10194 8623 17277 14915 16502 15502 18692 18000 14337 9030 1 15388 13671 22740 15511 15491 16818 10956 20130 20193 14148 17932 21928 18201 1 3939 11143 4688 12570 16958 12062 1 27178 28905 19465 10391 14950 1 9954 14184 10377 1 12293 13860 18443 18075 9967 1 10876 13112 11599 9121 12212 14229 15641 9040 15854 14648 1 8745 12378 1 16140 20258 13565 11834 1 11268 13024 8555 10594 13314 13586 12399 14359 12345 12349 11808 4878 6145 340.2056 *340.2057* D1-2-Hydroxymethylethisterone 83794 71112 17853 18196 48323 47689 39698 38771 22942 23157 59310 59919 41345 41675 15184 37216 37012 35139 61260 61364 16864 18023 40464 38732 42564 43144 25436 27990 4727 85012 27445 28591 39888 40759 47692 45640 20064 18944 25190 24748 19810 19760 22835 22517 35607 3525 22046 20929 20543 20632 28512 27402 22298 21667 41199 41878 26616 26504 26742 25885 31064 31241 38131 39002 32923 40255 49308 50643 37102 3256 32843 33940 18462 19154 24114 21530 39348 3440 43440 36951 60507 57961 34703 34257 4392 3784 57023 59138 29019 28490 340.2057 *340.2057* D1-2-Hydroxymethylethisterone - 1.2735462 1 5581 1 7695 11428 9875 4884 2881 9068 8235 1 5146 8550 8619 7723 8624 4801 1 11722 12262 6677 9054 11522 13601 1 1 7562 1 12663 9368 3823 10274 15980 8172 10924 7409 3696 13434 11698 1 4275 12082 3506 5099 9215 9488 10359 6988 9851 1 1 8314 11716 11650 1 12020 1 1 10076 9954 1 1 1 1 15865 19791 12995 8955 9454 12479 10691 9843 8757 8066 5796 1383 8788 7259 1 1 7751 5420 7478 1 8247 1 4948 8015 1 11016 340.2057 *340.2058* D1-2-Hydroxymethylethisterone - 2.831552 1 1 5907 7805 6012 8966 11515 1 1 7970 4766 1 6228 9027 6526 9914 9072 4146 8852 10496 5367 3845 1 5260 5349 8193 7341 7499 10122 9709 1 2764 1 6134 1573 8283 10243 9587 3759 1 7375 1 1 1 1 1 1 1 1 1 1 1 6096 7471 1 1 1 1 1 1 1 1 1 1 1 5637 1 1 6242 2607 5566 1 1 1 1 1 1 1 1 4261 4724 5354 1 3703 5551 6037 5995 1 1 1 340.2058 *340.2062* 340.2062@2.8752723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2062 *340.2066* 340.2066@2.2099886 1 1 1 1 1 1 1 4247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2573 1 3461 1 6163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2066 *340.2076* C19 H32 O3 S 1 1 6561 7313 1 1 12965 16149 1 1 10679 12973 8986 9234 26618 1 9246 7039 8271 8043 10189 10921 9110 9411 6936 8173 1 1 15904 10695 1 1 10445 9672 12178 9780 1 1 13507 12237 1 6610 1 16653 1 32880 10787 1 1 1 1 1 5143 6998 6242 6429 5670 1 1 1 1 5429 1 1 1 1 1 1 8508 38745 1 1 1 1 9352 7130 1 40609 11294 7946 7644 9007 1 1 68884 10649 13135 15676 1 1 340.2076 *340.2096* C16 H29 Cl N6 7617 8535 1 5685 11013 6003 1 3909 4431 6213 7779 1 7267 1 1 1 12428 1 1 1 8095 5338 1 10468 7005 6679 2921 26733 13262 9672 4539 4370 16068 2804 5322 6919 3407 4611 8661 4341 25124 7295 12120 1 12193 9328 11873 7454 6959 6552 12250 10519 1 4884 6498 5631 1 9125 8938 10751 5740 9860 4643 4157 7920 33572 9438 12371 8275 7605 9280 7947 5423 6883 3658 5286 7406 9488 1 8121 6992 7287 7556 5555 11171 10230 1 4389 10532 5171 340.2096 *340.21* 340.21@1.0300812 1 1 1 1 1 10720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7063 1 89875 1 12508 15191 1 1 1 1 10846 1 1 1 1 1 1 1 1 1 1 1 6862 7671 1 1 1 1 1 1 1 1 9149 6825 1 1 1 1 1 1 1 1 1 1 1 1 7040 1 1 1 9299 1 1 1 1 1 1 7428 1 68982 1 1 1 1 340.21 *340.2118* 340.2118@2.8369448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6895 7204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2118 *340.2148* 340.2148@1.1268008 1 1 1 1 1 1 1 1 6921 7104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10256 1 1 1 1 1 1 1 1 1 1 16044 12435 1 1 11873 1 1 1 39220 1 1 8780 1 10967 7347 7197 1 1 1 1 1 9390 1 1 1 1 1 1 1 1 1 1 1 10435 340.2148 *340.2228* 340.2228@1.0453995 1 1 1 1 1 1 1 1 3133 10981 1 1 1 1 1 1 1 26525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2228 *340.237* 340.237@1.0860615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7826 8838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.237 *340.2477* 340.2477@1.0885922 1 13530 9750 10179 1 13761 12092 1 1 20097 1 13406 13879 14431 1 1 1 1 13181 12722 1 1 17759 1 1 1 1 1 1 1 18257 21591 1 1 7621 1 1 1 1 1 18739 18980 1 1 1 1 15694 15549 1 1 1 1 19543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12198 13117 1 1 1 1 1 15328 1 1 1 1 1 1 1 1 1 340.2477 *340.2556* 340.2556@1.0886633 1 1 1 1 1 1 1 1 18765 1 1 1 1 1 29717 29789 1 1 1 1 1 1 1 1 1 18828 19272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24242 27060 1 1 1 1 43824 43526 1 1 16948 16605 34114 34345 21114 19624 28380 1 13900 14784 79462 81544 22264 22919 30164 27938 1 1 11145 1 1 1 19513 18028 1 20356 1 1 1 1 23748 24807 1 1 18466 18591 340.2556 *340.858* C4 H5 Cl2 N3 O3 S4 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1511 1 1101 1 1 1 1 2029 2064 1 1 1 1 1 1 1371 1277 1 1 1311 1249 1718 1524 1757 1320 1279 1332 2421 2150 2328 2106 1664 2086 1518 1502 3459 3399 3214 3087 1628 1642 2226 2109 3108 3328 1761 1705 2898 3117 2593 2457 3531 3138 3301 3442 340.858 *340.9743* 340.9743@1.297867 3914 4023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9406 16784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19404 15317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.9743 *340.9751* 340.9751@1.4387448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.9751 *340.9778* 340.9778@1.3087384 1 5227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.9778 *341.021* 341.021@1.125072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176164 174139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.021 *341.1947* 341.1947@1.0033338 1 5898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.1947 *341.2267* 341.2267@1.1006259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2267 *342.018* 342.018@1.3472775 1 1 1 1 1 1 21503 22787 1 1 1 1 1 1 1 1 22782 15635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13333 6635 1 1 342.018 *342.0181* 342.0181@1.2830279 1 1 1 1 1 1 6359 4305 1 1 1 1 1 1 1 1 16687 13028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3597 1 1 342.0181 *342.0201* 342.0201@1.190042 1 1 1 1 1 1 2418 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0201 *342.0435* 342.0435@0.74279076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3162 1 1 1 1 342.0435 *342.0791* 342.0791@1.4030812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78088 82210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0791 *342.0793* 342.0793@1.6175423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36377 34605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0793 *342.1399* 342.1399@1.178 1 1 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1399 *342.1467* 342.1467@4.221467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4826 3963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1467 *342.1533* 342.1533@1.0665442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1533 *342.1656* 342.1656@1.1672529 1 1 1 1 1 1 1 1 1 3969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1656 *342.1684* C18 H22 N4 O3 1 1 19442 20376 27577 27545 17083 16227 28217 25011 20617 19962 27037 25907 11216 10912 46013 45783 18376 16035 14266 12965 1 5405 1 1 1 1 1 1 15143 15931 21597 20893 8907 9370 1 1 1 6869 1 1 15420 13518 17248 17112 1 1 15888 15989 2474 2823 16736 16686 1 1 8563 9460 6215 1 13090 12149 12218 12626 1 17445 12330 11610 14566 15732 22999 22590 14751 14408 18987 18568 10520 11229 15534 14334 1 1 8990 9358 15320 15552 23748 25895 20176 20266 342.1684 *342.1765* 342.1765@2.8862672 1 1 1 1 1 1 1 1 8096 79151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1765 *342.1774* 342.1774@1.1460129 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7364 1 1 1 1 1 1 1 2215 2641 1 1 1 1 1 1 1 1 1 1 1 4937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1774 *342.1856* 342.1856@1.1284177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1856 *342.2061* 342.2061@1.1640971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2061 *342.2103* 342.2103@1.0079358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7403 1 1 1 1 1 1 1 1 1 1 342.2103 *342.2179* Megestrol 66323 59859 9949 9949 10813 11556 10603 9163 7939 1 13369 11831 12667 13998 16563 15588 2765 4902 9155 9695 6426 6283 12074 11733 15043 16643 13116 1 21478 21240 1 1 1 4098 1 1 22790 26084 8219 7983 1 21775 1 1 1 1 12678 12103 1 1 27060 27829 1 1 9617 12432 5973 5090 7397 7518 1 1 1 1 7515 6536 4224 3708 1 3590 4623 5497 4950 5101 6146 6328 6445 6788 4821 1 28063 28828 5426 8073 3235 3051 5433 5263 1 1 C07120 342.2179 *342.2306* 342.2306@1.1373807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3367 1 1 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 6968 1 1 1 1 1 1 18541 1 1 1 1 1 1 60952 59486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2306 *342.2378* 342.2378@1.134845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3127 1 1 1 1 3870 6827 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16975 1 1 1 1 1 1 1 1 1 1 1 16958 12595 1 1 1 1 1 1 1 1 1 1 4100 1 1 1 1 1 1 1 1 2401 342.2378 *342.2459* 342.2459@1.1438822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2416 1 1 1 1 342.2459 *342.2643* 342.2643@1.147644 1 2652 1484 1 1 1 1 1 1 1 1 1 2867 1 1 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 2589 2238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2643 *342.2725* C21 H39 Cl O 1 1 5275 4864 7969 7694 4482 5350 9994 9062 4908 4695 8622 2529 1 11418 5505 4415 3133 10168 6249 6132 7118 5652 9415 9481 7915 7814 12311 1 8420 9016 9698 8089 3243 3631 5336 6431 7050 7445 8546 8232 4268 3759 1 1 5754 6655 6491 5668 9368 9459 10168 1 6754 6020 1 1 11547 10614 1 1 5978 6088 1 1 1 1 1 1 11530 4589 5367 5155 5881 5638 7419 6261 1 6966 6812 5857 5018 4319 9390 9681 8658 2481 8160 8310 342.2725 *342.2739* 342.2739@1.0811412 1 1 1 1 1 1 1 1 1 1 1 1 1 8970 11448 1 1 1 9689 1 1 1 1 1 1 1 1 1 1 12519 1 1 1 1 2919 1 1 1 1 1 1 1 1 1 16458 16769 1 1 1 1 1 1 1 9643 1 1 14993 15255 1 1 12048 10978 1 1 32264 34972 1 8410 21457 21568 1 11415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8382 1 1 342.2739 *342.8557* 342.8557@1.1920321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1900 1 1 1 1 1 1 1237 1 1 1 1 1 1557 1296 1 1 1480 1 1589 2372 1799 2013 1700 1793 1307 1577 3123 2599 2935 2765 1526 1426 2226 1673 3410 3011 1 1 2782 2766 2275 2432 3263 3043 2976 3066 342.8557 *343.0202* 343.0202@1.3249217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.0202 *343.0445* 343.0445@1.4896914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7205 5257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.0445 *343.0505* 343.0505@1.5082965 7915 7126 1 1 1 1 1 1 1 1 5842 3611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8557 7817 343.0505 *343.0513* 343.0513@1.5684689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.0513 *343.1081* 343.1081@2.544241 1 1 1 1 1 1 1 1 1 1 1 1 24168 22883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.1081 *343.1085* 343.1085@0.7450449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26962 26389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18242 17107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6665 6365 1 1 1 1 1 1 1 1 1 1 10922 11089 1 1 1 1 1 1 1 1 1 1 9813 9991 1 1 1 1 1 1 1 1 1 1 1 1 343.1085 *343.1202* 343.1202@7.4850883 1 1 2694 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.1202 *343.2112* 343.2112@1.1564543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2112 *343.2228* 343.2228@1.0080951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2228 *343.2469* 343.2469@1.1980844 1 1 1 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2469 *343.9969* 343.9969@1.6269722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5486 5204 4948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4305 4059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.9969 *344.0355* 344.0355@1.4130486 8483 7057 1 1 1 1 1 1 1 1 7488 6458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13758 13406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17100 16954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11759 12307 344.0355 *344.0383* 344.0383@1.4635934 1 2469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.0383 *344.0911* 344.0911@0.8429677 1 1 1 1 3440 3449 6743 6758 1 1 5600 6151 1 1 1 1 1 1 1 4722 1 2994 1 1 1 1 1 1 1 2785 1 1 9943 9403 3417 3275 4743 5059 1 1 7719 8887 1 1 1 1 1 1 1 1 1 3257 1 1 4793 5550 6170 6399 1 1 1 1 3020 1 7532 1 3874 3503 1 1 1 1 1 1 3904 4234 1 1 4212 4658 3527 1 3124 1 4087 3952 1 1 5181 4990 344.0911 *344.0945* 344.0945@1.1903112 1 1 1 1 1 1 1 1 1 1 1 1 3814 3353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.0945 *344.0981* 344.0981@0.83864224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8199 7835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3141 1 1 1 1 1 1 1 1 1 1 1 1 344.0981 *344.1005* 344.1005@1.6416072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3965 3590 7237 6924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4187 1 1 1 1 1 1 1 1 6182 6921 1 1 4731 5125 8033 8331 1 1 344.1005 *344.1058* 344.1058@0.74468935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4615 4675 136185 137118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92926 89824 1 1 1 1 1 1 1 1 1 1 1 1 9265 10203 1 1 1 1 30773 31467 1 1 1 1 1 1 1 1 1 1 55537 56550 1 1 1 1 1 1 1 1 1 1 49175 49339 1 1 1 1 1 1 1 1 1 1 1 1 344.1058 *344.1276* 344.1276@4.691853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8064 8403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1276 *344.1974* 344.1974@1.1315663 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1974 *344.2127* 344.2127@1.0318806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2127 *344.2182* 344.2182@1.3326361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2182 *344.2188* 344.2188@1.2082056 4201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8615 7062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2188 *344.2191* 344.2191@1.0400505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7133 1 1 1 1 1 1 1 3647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2191 *344.2262* 344.2262@1.0799778 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2262 *344.2299* 344.2299@1.0741142 1 1 1 1 1 1 3060 1 1 1 1 1 1 1 1 1 5811 6494 3190 5424 3371 1 1 1 5900 1 5289 1 9859 8742 1 1 1 1 1 1 6354 1 5219 6205 6548 11422 1 1 1 1 1 1 1 1 9639 12219 6470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 4229 1 1 1 1 7245 7552 1 1 344.2299 *344.2345* (+/-)-13-HDoHE 12564 12010 1 1 4823 6165 1 4626 5536 1 8504 9231 25063 1 1 1 1 1 5035 6479 3549 3027 12112 43375 10159 54822 54843 7198 15756 15205 4046 6342 11499 17946 3194 1 1 1 7676 7710 32649 33371 3392 2800 3194 4105 16218 13603 2775 2583 13010 48675 1 1 8000 26299 1 1 23499 9802 5133 4729 6864 1 1 1 1838 11271 1 1 7036 7239 4250 5107 6938 8450 6925 6021 6680 7793 18493 18403 12652 13128 9846 8393 3137 3095 5089 5673 344.2345 *344.2417* 344.2417@1.1325455 1 1 1 1 1 1 2873 1 1 1 1 1 1 1 7543 8445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14041 14394 1 1 1 1 1 1 5610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6439 1 1 8195 3041 1 1 6783 6313 1 1 1 1 1 1 6966 5636 1 1 1 1 1 1 1 1 1 1 344.2417 *344.2453* 344.2453@1.1361334 1 1 6538 7452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2453 *344.2596* 344.2596@1.1649148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2596 *344.2689* 344.2689@1.1617944 1 1 1 1 1 1 1 1 29831 1515 1 1 1 1 1 1 1 1 14558 1 8129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13569 1 1 1 1 1 1 1 1 12600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17922 12448 1 1 1 1 1 1 1 1 1 23168 344.2689 *344.2735* 344.2735@1.1599772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2735 *344.2847* 344.2847@1.1806365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2847 *345.0011* 345.0011@7.654747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6233 6643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5586 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15047 1 1 1 345.0011 *345.0021* 345.0021@7.635708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0021 *345.1105* 345.1105@0.7652064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9069 8815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3719 3795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.1105 *345.1122* 345.1122@1.5477585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7531 6713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6062 5842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.1122 *345.1134* 345.1134@1.2896925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138357 139728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89409 92500 3362 3284 1 1 1 1 151203 150532 1 1 1 1 1 1 1 1 1 1 57139 57724 1 1 1 1 4092 4316 1 1 1 1 1 1 1 1 15250 15455 1 1 1 1 1 1 1 1 1 1 345.1134 *345.2868* C15 H35 N7 O2 1 1 1 1 1 1 1 1 3418 3882 12348 12508 4723 4345 13476 14354 5370 5268 5136 4787 2204 2094 7321 8862 2815 2956 3530 3184 21308 21157 6375 6591 1 1 1 1 23340 24683 13459 14389 1 1 3733 3938 11183 10675 4922 5052 4357 4863 4796 5447 9449 9693 3949 3472 7152 5915 6610 6275 1 1 1 1 9517 8924 7481 6291 1 1 1 1 12575 12278 1 1 3694 2888 9159 9494 2283 1888 3917 3407 3220 2858 5875 6349 1 1 345.2868 *346.0186* 346.0186@2.065026 1 1 1 1 1 1 1 5514 8101 1 1 1 7899 8311 1 11403 1 1 1 1 8263 7538 8478 7497 1 1 1 1 1 1 7058 4980 1 1 1 1 4678 8677 1 1 4185 9151 1 1 1 1 8533 8840 1 1 3981 1 4172 1 8731 1 1 1 1 1 1 4517 8271 1 1 1 1 1 4116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.0186 *346.0805* 346.0805@2.826099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3282832 1 1 1 1 1 346.0805 *346.0811* 346.0811@2.721067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1.68E+07 1.45E+07 1 1 1 1 346.0811 *346.1045* 346.1045@0.81406397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1045 *346.1058* 346.1058@0.78286433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43225 44356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18648 15654 1 1 1 1 1 1 4445 3698 1 1 1 1 21281 21917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1058 *346.1147* 346.1147@1.0790653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9557 10235 1 1 1 1 346.1147 *346.1375* 346.1375@1.1495924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1375 *346.1608* 346.1608@5.1810217 1 1 1 1 1 1 2633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5521 5746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8388 8332 346.1608 *346.1708* 346.1708@1.1633577 1 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1708 *346.1842* 346.1842@1.1519426 1 1 1 1 1 1 1 1 1 1 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1842 *346.1949* 346.1949@1.1134456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 2258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1949 *346.2045* 346.2045@1.0956954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22073 1 1 1 1 346.2045 *346.215* 346.215@1.0693507 9498 10118 1 1 1 1 1 1 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 5609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.215 *346.2245* 346.2245@1.1316851 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46427 45885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2245 *346.23* 346.23@1.2771482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.23 *346.2306* 346.2306@1.3342009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6535 3475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2306 *346.2308* 346.2308@1.220669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2308 *346.2319* 346.2319@2.8071172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192467 177985 1 1 1 1 346.2319 *346.2379* 346.2379@1.1314235 1800 1 1 1 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 6794 1 1 1 1 1 4275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6639 8247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2379 *346.2453* 346.2453@1.0731314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10712 1 1 1 1 1 1 1 1 1 3001 3079 1 1 1 1 20555 17967 1825 1 1 1 1 1 8835 8388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14729 8194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2453 *346.2566* 346.2566@1.1040632 3388 4781 1 1 1 1 1 1 1 1 1 1 1 2766 1 1 1 57334 1 1 12240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4585 1 346.2566 *346.2582* 346.2582@1.0990242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 1 5188 1 1 1 1 1 3200 3802 1 4833 346.2582 *346.2751* C19 H38 O5 1 1 2614 2522 1 1 1 4987 4581 3117 1 1 1 1 6461 6652 1 1 1 1 1 1 1 1 6603 6359 1 6506 7133 7585 1 4423 6453 5958 1 1 1 1 5595 5053 6331 1 1 1 5599 6372 6099 6457 1 1 6084 6525 1 1 4656 4767 2740 1 4523 3931 1 1 3099 1 1 1 6718 7488 3408 3640 1 1 2952 1 3724 3011 1 1 1 7441 1 4406 1 1 1 1 1 1 1 1 346.2751 *346.278* 346.278@1.1022143 1 1 1 1 6587 7300 1 1 1 1 8366 6764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5877 1 1 1 4789 1 1 1 1 1 4607 5465 1 1 1 4890 1 1 1 1 1 1 6692 5754 1 1 5468 7045 1 1 1 1 1 1 5149 5937 1 3599 1 1 1 1 1 1 1 1 1 1 1 1 6024 5592 7546 1 1 1 5153 6480 7220 8204 1 1 1 1 346.278 *346.3021* 346.3021@2.8121507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46460 1 1 1 1 346.3021 *346.7563* 346.7563@2.663972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 1 346.7563 *346.8176* 346.8176@2.8080862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8100 1 1 1 1 1 346.8176 *346.8324* 346.8324@2.8331575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2856 1 1 1 1 346.8324 *346.8581* 346.8581@2.6789846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7291 1 1 1 1 1 346.8581 *347.0458* C19 H10 Cl N3 O2 5481 5587 5036 4822 5241 5485 13009 12331 5466 4824 5557 5747 1 1 1 1 1 1 5655 6277 4589 4228 1 4001 1 1 3794 1 1 1 5284 5585 6607 7361 1 1 1 3988 1 1 4453 4704 1 1 4801 1 1 1 3273 1 5904 5674 1 1 1 1 5804 6236 1 1 1 1 1 1 4125 1 4884 4877 1 1 4327 4718 1 1 1 1 1 1 8207 8748 4744 4765 1 4083 6342 5981 1 1 5255 5205 347.0458 *347.1026* 347.1026@1.9675801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6084 8483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.1026 *347.7757* 347.7757@2.7811403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 1 1 1 1 347.7757 *348.0425* C15 H12 N2 O6 S 27375 26788 22474 23407 25571 25112 63810 62749 25377 24846 27566 27719 15430 15933 14881 14471 15343 15507 28616 28836 18734 19842 19250 19657 10388 11049 17307 16636 13835 13780 28718 20238 35447 35726 16321 16328 19642 18622 17655 16986 19735 19907 11792 12298 21171 21295 13346 14073 15074 14757 21606 21944 13527 13153 14084 15351 28092 30336 12445 12806 15217 15282 16597 16809 16768 17558 22693 22518 14043 12966 20558 19231 13003 12681 12964 9994 15443 15338 40508 42375 21677 21696 18342 18695 30494 30250 18977 18972 24431 24610 348.0425 *348.0429* 348.0429@2.20827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0429 *348.0492* 348.0492@1.4116428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3410 3631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0492 *348.115* C25 H16 O2 4472 3676 1 1 1 3959 6162 5297 1 1 1 3837 3563 1 1 1 1 1 4564 5049 11318 11179 1 1 1 1 3186 1 5850 6118 7354 7725 6197 6137 1 1 6400 7284 17640 22661 1 1 3587 1 12445 11032 5358 5404 1 1 4520 4299 1 1 1 1 8938 8977 8761 8551 1 1 1 1 1 3063 1 1 1 1 1 1 1 1 8034 8049 5375 5865 10778 11413 6551 5365 5410 5208 6254 6301 36013 34937 1 1 348.115 *348.1152* 348.1152@1.6485355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1152 *348.121* 348.121@0.79892236 1 1 1 1 1 1 1 1 1 1 4331 4639 1 1 1 1 4293 4433 13799 13829 1 1 1 1 1 1 5145 5220 4306 4324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4226 4484 1 1 1 1 1 1 1 1 5019 5158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.121 *348.135* 348.135@0.79838246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8950 7998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.135 *348.1856* Ala Met Lys 10281 9996 4886 5458 3786 4009 8204 7122 10338 11311 7682 8309 3633 3932 7052 6742 3711 3704 12262 12097 3970 4271 3854 4152 9099 10344 7433 7209 6808 6455 3354 3037 7106 6825 7167 6629 6214 5632 5084 4933 6393 6610 6270 6671 7110 7254 7053 6492 5387 5321 5231 5040 5425 5241 4558 5200 9586 9292 6214 6917 8520 8828 4377 4351 4626 4612 6402 6654 5527 6227 9123 8895 4909 4716 5461 6060 6476 6627 7391 7897 6338 6302 8212 8479 5651 5999 3199 2685 5257 5033 348.1856 *348.187* 348.187@1.1116223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4404 1 1 1 1 2711 1 1 1 1 1 1 1 1 3537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5696 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2638 1 348.187 *348.1888* 348.1888@1.1747185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1888 *348.1902* 348.1902@0.96129704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1902 *348.1919* 348.1919@2.5969484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 3328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1919 *348.1924* 348.1924@1.0963213 1 1 1 1 1 1 1 3324 2321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3087 1 1 1 1 1 1 1 2413 1 1 2802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5820 4031 1 1 1 1 6661 4508 1 1 1 1 1 3323 2051 2753 1 1 1 1 1 1 1 1 1 3157 3099 4432 1 1 1 3146 348.1924 *348.1987* 348.1987@1.107562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4362 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1987 *348.2058* 348.2058@1.1076276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9470 1 1 1 1 1 1 1 3152 6534 3918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2923 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.2058 *348.215* 348.215@1.0618166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6484 1 1 1 1 1 1 1 1 1 1 1 1 1 348.215 *348.2212* 348.2212@1.1063739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.2212 *348.2224* 348.2224@1.107388 1 1 1 1 1 1 1 1 1 1 1 1 6929 5930 1 1 6209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7594 1 1 1 1 1 1 1 1 1 6503 1 6525 1 1 5509 1 1 1 1 1 6857 1 1 1 1 1 1 1 7317 1 1 1 1 1 1 1 1 1 1 1 1 348.2224 *348.2317* 11-deoxy-11-methylene-15-keto-PGD2 5314 1 4893 13732 12271 3231 6335 31096 16953 6321 26148 4528 1 1 19620 19773 1 4136 1 28073 36907 8467 1 1 1 1 6295 19794 24724 29063 22419 24693 1 22513 1 1 1 5191 10273 28170 5386 6344 1 1 9670 8198 8599 8430 1 30273 29402 24579 17462 35552 15043 4779 7467 7348 1 6894 1 20797 1 1 1 1 6958 23116 6479 1 1 6798 5128 13605 5295 6932 1 1 1 1 16355 16140 27162 5296 50003 9267 36862 23924 7095 18590 348.2317 *348.2414* 348.2414@1.0994811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40317 37452 21776 6876 1 1 1 1 1 1 1 1 1 1 24041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8810 1 1 1 1 1 1 1 1 1 1 348.2414 *348.3019* 348.3019@2.7171166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5866 1 1 1 1 348.3019 *348.3217* 348.3217@2.682988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 348.3217 *348.3469* 348.3469@2.7111144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5399 1 1 1 1 348.3469 *348.3738* 348.3738@2.7140136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4414 1 1 1 1 1 348.3738 *348.3876* 348.3876@2.7481284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1999 1 1 1 1 348.3876 *348.6882* 348.6882@2.7130127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4789 1 1 1 1 1 348.6882 *348.8223* 348.8223@2.7090094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4257 1 1 1 1 1 348.8223 *349.0505* 349.0505@1.5195858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7027 1 1 1 1 1 7410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0505 *349.0555* 349.0555@2.2277668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0555 *349.0587* 349.0587@2.0808084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27487 35342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0587 *349.0878* 349.0878@2.8051157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12112 9878 1 1 1 1 349.0878 *349.1545* 349.1545@7.7216024 1 1 43122 43458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1545 *349.2152* 349.2152@2.0675647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.2152 *349.2759* 349.2759@2.1016495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.2759 *349.9023* C10 H5 Cl3 N4 S2 3413 2944 3299 3311 3848 4503 4060 3497 3421 3664 3682 3888 3494 3885 4280 4123 3797 4319 4617 4629 4007 3776 3950 3401 4011 3866 3956 3631 3827 3560 3762 3953 3896 3838 4239 3507 4013 3606 3765 3772 4127 4187 3222 3465 3732 4179 3971 3811 4124 3942 4651 4659 4887 4791 3376 4111 4386 4175 4236 3843 4096 3718 4387 4108 4085 4388 4398 4575 4571 4456 5298 5096 3700 3834 4281 3909 3791 3584 4750 4809 4202 4317 3833 4363 4471 5213 5075 4465 3958 3671 349.9023 *350.0087* 350.0087@0.7133002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 3450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33265 34168 1 1 1 1 1 1 5895 6086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.0087 *350.0398* 350.0398@0.7347653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3624 3535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.0398 *350.0576* 350.0576@1.0570434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6543 5698 1 1 1 1 350.0576 *350.0759* 350.0759@2.6563637 1 1 1 1 1 1 14143 14690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 350.0759 *350.1054* 350.1054@1.0847218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3666 3285 1 1 2489 1 1 1 1 1 1 2798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 2356 1 1 1 1 2310 2348 1 1 350.1054 *350.1156* 350.1156@5.3302264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1156 *350.1164* 350.1164@5.298932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46364 53114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1164 *350.1165* 350.1165@5.2321777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30120 30283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1165 *350.1727* 350.1727@3.4384248 1 1 1 1 51664 51423 1 1 79290 78441 1 1 1 1 30814 29174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39224 40479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33082 23107 1 1 32556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1727 *350.1999* 350.1999@1.1685652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 6011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 350.1999 *350.2018* 350.2018@1.4445523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1 1 1 1 1 350.2018 *350.207* 350.207@1.468666 1 1 1 1 1 1 1 1 1 4519 1 1 1 1 1 1 1 1 5736 3878 1 1 4626 5299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 4929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5307 7921 1 1 1 1 1 1 1 5041 1 1 1 1 1 1 1 1 1 1 6941 8214 1 1 1 1 350.207 *350.2078* 350.2078@1.1721157 1 1 1 1 3221 3365 1 1 1 1 1560 3464 1 1 1 1 1 1 1 1 1 1 3226 1 1 1 1 1 1 1 1 1 4900 1 1 1 1 1 5107 5444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3250 1 1 1 1 1 6109 7502 3938 4868 1 1 4342 4206 1 1 1 1 1 1 3504 1 1 1 1 1 1 4249 1 1 1 1 350.2078 *350.2098* 350.2098@1.1687998 1 1 1 1 1 1 1 1 1 1 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2098 *350.211* 350.211@0.942947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9317 9504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.211 *350.2359* 350.2359@1.0780865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2359 *350.2377* 350.2377@1.1009033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9053 3437 1 1 1 1 11452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2377 *350.241* C13 H26 N12 12839 9568 8786 1 1 10065 12281 1 1 12041 1 8847 9003 9155 1 1 7350 8627 11026 2716 1 14768 1 1 1 15392 12794 1 1 1 1 1 14509 1 9147 9098 1 8459 17330 1 11375 10617 1 1 14642 19639 13409 13348 1 1 1 1 1 1 1 10779 16061 15683 10104 10825 14125 1 8585 8831 40137 41672 16026 1 13367 14387 1 10865 8175 1 9558 10438 14491 14296 1 13782 1 1 1 9318 1 18339 1 1 12167 1 350.241 *350.2467* 350.2467@0.80132055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11419 10915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2467 *351.0542* 351.0542@1.5954168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.0542 *351.0649* 351.0649@1.0859567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 351.0649 *351.1172* 351.1172@2.0655115 1 1 1 1 1 1 7173 5549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5472 1 1 351.1172 *351.1677* 351.1677@2.1026993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.1677 *351.1709* Pirenzepine 12107 11460 1 1 1 1 1 1 1 1 1 1 1 1 4590 4899 1 1 13826 13618 6703 6556 6953 6761 11504 11789 11899 11687 16908 16535 1 1 4010 3759 3325 3311 6478 6816 4124 4031 8447 7625 4041 4479 6789 6442 3382 3503 2998 3021 5683 5669 2902 1 5441 6024 3190 1 4570 4529 6665 6341 4240 4342 3582 3322 1 3082 3699 4044 4373 4473 3127 3310 1 1 3340 3449 3152 3443 9666 10331 3680 4089 3794 3918 3772 4233 3409 3438 C07508 351.1709 *351.2392* 351.2392@1.0929415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2949 1 1 351.2392 *352.1052* 352.1052@5.8307276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3543 3380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1052 *352.1053* 352.1053@2.068452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6499 6572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1053 *352.108* 352.108@1.5955421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.108 *352.1177* C13 H25 Cl N4 O S2 9715 11357 1 1 4289 6668 16814 14554 1 7313 1 1 9038 8754 7586 1 6524 6718 6581 6195 1 1 5325 6821 1 6693 5251 4215 6409 6126 10639 10155 1 1 1 1 8310 7458 4496 1 6183 1 1 1 1 1 7889 9597 9487 7111 1 1 1 1 1 1 1 1 1 1 8226 10014 4118 1 1 1 5777 5480 1 8025 1 1 1 1 1 1 1 1 13061 13773 1 1 1 1 14020 13424 6577 11866 1 1 352.1177 *352.119* 352.119@2.0811245 1 1 1 1 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.119 *352.1381* Gly Asn Tyr 3012 2782 3355 2900 3037 3060 1 1 3368 3514 3095 2814 2089 2566 4025 4229 1 1 4139 4512 3495 2996 2648 2641 2884 2349 4250 3724 3404 3346 3586 3774 3555 3734 4010 3978 4152 4781 2756 2959 3289 2879 4777 4534 4080 3780 3880 3743 5773 5975 3516 3781 3667 3606 4809 4513 5587 5251 8551 8465 8052 7794 2390 1 3807 3665 4675 5023 3791 4057 8258 7734 3039 2733 3120 2970 4768 5016 5549 5586 6927 6908 10423 10109 5973 6198 4959 4765 5918 5018 352.1381 *352.1525* 352.1525@2.2350178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11059 7228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1525 *352.1561* 352.1561@5.7477446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 1 1 352.1561 *352.1678* C15 H24 N6 O2 S 61133 61245 9786 10638 6858 7607 11262 10704 5744 6132 15619 15049 14309 13750 25588 26112 9711 9498 72553 71737 34357 34260 35648 36029 61904 62372 63116 63457 82548 86293 8835 9326 18655 20345 16062 17787 35160 36741 20621 20828 41813 41913 22494 22455 33262 32308 18748 19437 14358 14063 33049 33414 14928 14218 30162 30056 15772 15568 21918 20547 34413 33160 22254 21896 17919 17002 14901 15465 20588 20348 22705 23019 17511 18232 12312 12783 17764 17459 16890 17513 51741 51157 20925 21130 20158 19869 21277 21898 16289 15930 352.1678 *352.1687* 352.1687@0.76267123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1687 *352.1694* C16 H24 N4 O5 4651 4071 1 1 1 1 2430 1 5694 5756 11258 10549 1 1 1 1 1 1 1 7437 4563 4659 9778 10727 3170 3630 3070 3543 4577 4426 1 1 11079 11049 1 1 9791 11302 1 1 6952 7095 4654 4994 1 1 1 1 1 1604 14233 13415 6271 6129 3590 3410 16385 15212 3383 4355 1 1 1 2230 5296 5464 1 1 6417 5531 8483 8996 1 1 1 1 1 3205 20608 20381 11095 10197 12461 11911 5952 6275 1 1 3490 3759 352.1694 *352.2114* 352.2114@1.2025565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2114 *352.2237* 352.2237@1.1599354 1 1 1 1 1 1 1 1 1 1 1 7537 1 1 1 3407 1 1 1 1 1931 1 1 1 1 3754 1 4008 1 2193 1 3231 3770 3250 1 1 1 1 2254 1 1 1 1 1 2016 1 2383 1 1 2296 4743 12326 1 1 1 1 3526 1 1 2365 1 3064 1 1 11986 15328 1 1 1 1 3824 3524 1 1 1 1 3472 1 3279 6274 1 1 3244 1 4746 4601 6805 1 1994 1 352.2237 *352.2269* 352.2269@0.80632484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10907 11412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2269 *352.2273* Thromboxane A2 5720 4438 5551 5807 6474 6607 11450 11392 6330 6666 8156 7294 2094 2174 4411 2766 4250 3989 6522 5985 5373 5832 1 1 3981 3484 5141 4362 4784 5300 5808 5468 6821 7243 3539 3148 5171 5185 5828 5845 4430 4021 5980 5955 7303 7290 7610 6537 6137 5449 10846 10311 4086 4266 6471 7735 11417 10349 9589 9726 8036 7762 6865 6281 8563 9127 4460 6083 7276 8334 3702 4393 5004 4275 3947 2877 8080 7726 10725 8751 7419 7271 9357 9189 11054 10891 1 1551 9090 10179 HMDB01452 C02198 352.2273 *352.2315* 352.2315@1.1496675 1 1 1 1 1 1 1 1 6557 1 1 1 1 5754 1 1 1 1 1 1 1 1 1 1 1 2571 19593 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3892 1 1 5485 1 1 1 1 1 3187 1 1 7522 1 1 1 1 1 1 1 1 4049 4542 4230 3534 1 1 1 1 2761 1 2686 3206 1 1 1 1 1 1 1 1 1 1 1 1 352.2315 *352.2389* 352.2389@1.1937906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2389 *352.2473* 352.2473@1.1343632 1 1 1 1 1 4295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2473 *352.2536* 352.2536@1.0364118 1 1 1 1 3381 2129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2536 *352.2586* C17 H32 N6 O2 13320 12713 8931 9535 18403 16744 12755 1 17102 16230 1 12434 10787 11863 20878 20514 10310 11268 12716 1 1 12963 1 1 19817 19760 21001 21942 28867 29530 18608 17182 26730 33744 9307 10202 1 11646 20979 20285 16961 18186 1 7437 25268 23204 14785 14932 13320 1 21080 20620 14670 1 14625 15444 28870 28705 21031 21581 26837 27456 11318 10964 62295 63438 21597 25575 25989 25892 13700 13565 11331 11152 12362 13231 20636 18370 14809 14377 13803 14445 1 12025 1 23878 1 14139 15544 16465 352.2586 *353.0345* 353.0345@1.0609988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 3095 1 1 1 1 1 1 1 1 1 1 353.0345 *353.069* 353.069@1.1902208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2727 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.069 *353.0907* Acenocoumarol 9267 9002 1 1 3771 3814 1 1 1 1 1 1 4041 5338 6206 5990 5789 5440 3041 1 1 1 1 1 9185 10309 1 1 1 1 1 1 1 1 3799 3759 1 1 1 1 4559 4999 1 1 1 1 1 1 8197 6176 3506 3569 1 1 1 2717 6551 7030 14211 13934 7264 8007 1 1 1 2995 5222 5260 3782 4125 1 2831 1 2967 1 1 6045 5683 5756 5702 12264 12020 5714 5616 16223 14318 1 1 8675 8359 353.0907 *353.1244* 353.1244@4.2197013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.1244 *353.1833* 353.1833@1.0264816 1 1 1 1 1 1 1 1 1 1 3331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 4471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.1833 *353.2607* 353.2607@1.0899752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.2607 *354.0395* 354.0395@0.7093069 1 2304 1 1 1 1 1 1 1 1 1 1 1 1 11701 10843 1 1 12979 1 1 1 1 1 3984 4614 8091 7243 1 1 15421 15229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.0395 *354.0407* 354.0407@1.0545394 1 1 1 1 1 1 5133 6518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.0407 *354.0722* 354.0722@0.7775868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6235 6994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.0722 *354.0971* 354.0971@2.1044734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85831 88264 1 1 3923 53824 1 1 3051 1 5078 4045 9889 1 1 1 1 1 1 1 1 13645 1 1 1 1 1 1 1 1 1 1 1 3591 1 1 1 1 1 1 50136 50781 1 1 4969 1 1 1 1 1 1 1 70320 4010 21714 22284 1 1 1 1 1 1 1 3784 51554 75609 1 13679 1 32364 1 1 354.0971 *354.0974* Chlorogenic acid 26447 24857 33045 33110 19292 15346 15791 16063 15651 14190 37103 33001 19772 19594 20603 18699 15173 13741 9942 7906 21768 21497 52232 5667 14324 15056 35684 36647 38748 39444 1621 10856 51203 54003 1 1 21509 22347 19790 2451 30247 34233 16004 15547 31908 32330 17520 17665 29516 18964 17224 12156 13647 13751 16568 17166 33486 33451 5413 5726 16334 16482 12432 15617 14372 22837 20602 24609 28195 28348 4188 68569 2738 4043 30402 29820 29077 24735 54842 58348 69399 67257 10004 6787 20124 3635 26318 5179 52004 50700 HMDB03164 C00852 354.0974 *354.1035* 354.1035@2.0297496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 5537 1 1 1 1 3761 5881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6104 1 1 1 354.1035 *354.1093* 354.1093@2.0282536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4678 6914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1093 *354.134* 354.134@0.9879893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7169 7307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.134 *354.1506* 354.1506@1.0473886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5484 8516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1506 *354.1559* 354.1559@1.0508732 1 1 1 1 1 1 1 1 1 1 1 1 6448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4474 1 1 1 1 1 8183 9127 1 1 4189 1 2169 1 3142 3042 1 1 6519 6456 1 1 1 1 1 1 1 1 1 1 1 1 1 12556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2449 1 9799 10351 1 1 354.1559 *354.1575* 354.1575@1.0490462 1 1 4259 6760 3658 3885 10046 5445 5627 1 4089 4426 1 6696 5121 4587 4565 6504 1 1 5301 5143 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 3093 2931 1 1 1 1 1 5117 1 2325 1 1 1 1 1 1 2506 2429 1 1 1 1 1 2790 1 1 1 1 1 1 1 1 1 1 3534 2908 1 1 1 1 1 1 2013 2485 1 1 1 1 1 1 1 1 1 1 354.1575 *354.1684* 354.1684@1.0452851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3971 1 1 1 1 1 1 1 1 1 1 1 1 2202 1 1 1 4325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1684 *354.1834* 354.1834@0.97376233 1 1 1 1 1 1 1 1 43851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 4043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1834 *354.2066* 354.2066@0.9578933 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3681 3933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285799 289201 1 1 1 1 1 1 1 2869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2066 *354.2143* 354.2143@1.0170726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2143 *354.2293* 354.2293@1.1956142 1 4872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3790 1 1 1 1 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2293 *354.2323* 354.2323@1.1450667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.2323 *354.238* 13,14-dihydro-15-keto-PGF2alpha 6622 1 1 1 7469 10528 1 1 1 1 4364 1 1 1 11048 5933 1796 1856 1 1 1 1 9577 1 5401 6732 1 13834 4694 1 4391 1 7991 7731 1 1 8930 3913 1 4538 4164 8883 1 1 4668 3820 4720 8821 1 2490 7537 1 4013 1 8558 1 7066 2749 3854 1 8293 6805 1 1 60181 59079 7013 3645 1 1 11295 14212 1 1 1 1 3315 1 8893 5015 4005 1 4720 2994 5174 4882 1 1 1 1 354.238 *354.2438* 354.2438@1.1493218 1 1 1 1 1 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13331 1 1 1 1 1 1 1 1 5643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 5897 6177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 354.2438 *354.2727* C12 H35 Cl N10 6724 6970 4727 4544 1 7271 6130 7100 10089 10504 7043 7789 6875 5953 13119 12227 9111 8345 12240 10821 7488 13098 9601 11465 11634 13722 9040 11194 19104 21509 10642 11452 17975 17317 4207 3786 6999 7291 9236 9744 9465 9630 3371 3117 16615 18406 8261 8793 6992 7706 8798 9424 19734 9285 16517 11045 26243 22700 12352 16483 13839 12210 7056 7810 47253 32402 11959 10405 23204 21913 15067 15007 7773 7708 7559 6419 13203 15562 10860 14242 6807 16065 15843 6455 13027 8949 5480 6236 8694 9346 354.2727 *354.8317* 354.8317@0.7046569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3522 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.8317 *355.162* C18 H26 Cl N O4 47931 54579 21458 14325 10681 10522 11996 14033 15818 12240 12810 1 17313 13854 17193 15291 15739 17717 10307 11246 7982 7464 11735 12199 9724 9360 11162 1 12201 12123 4657 5744 5346 5548 2410 2643 4398 3838 5852 6234 8072 7279 4710 4730 3404 3692 4613 4560 3220 3893 5525 5983 5536 6002 4927 5074 4246 4151 3935 3850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.162 *355.1692* 355.1692@1.1394067 1 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.1692 *355.1743* 355.1743@1.1307479 1 1 1 1 1 1 2802 2507 1 1 3117 4017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 1 1 1 1 1 1 1 1 1 3572 1 1 1 1 1 355.1743 *355.1827* 355.1827@1.1312696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3531 1 1 1 1 355.1827 *355.9669* 355.9669@1.1039208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.9669 *356.0191* 356.0191@1.5688604 8089 2720 1 1 1 1 1 1 1 1 12200 11275 6061 6003 1 1 1 1 42795 42311 10776 10044 36497 36828 1 1 1 1 20956 22095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13465 12676 6719 4859 1 1 1 1 1 1 1 1 7549 7851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.0191 *356.0202* 356.0202@1.5876676 1 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.0202 *356.0364* 356.0364@5.5304127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.0364 *356.0743* 356.0743@1.9465413 1 1 1 1 1 1 3181 4634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.0743 *356.0965* 356.0965@2.1393528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3757 5175 1 1 5157 4873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3901 1 1 1 1 1 1 1 1 1 3387 1 1 1 1 5672 1 1 1 1 1 1 1 1 1 1 1 1 6166 1 1 1 1 19550 1 1 1 5575 1 1 1 356.0965 *356.099* 356.099@2.1104813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 356.099 *356.1069* 356.1069@2.143111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1069 *356.113* 356.113@2.1964688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.113 *356.1649* C19 H32 S3 1 1 1 10224 17592 18287 17324 16773 12454 11730 19534 16734 15291 15610 14201 13607 12714 13332 16420 17225 20010 21971 15904 17076 13204 14840 13623 13703 22028 21980 1 11042 16359 9874 1 1 10345 11008 15617 16483 7980 9541 15833 15349 1 1 11057 10569 6466 6695 1 13281 9677 9671 8245 8239 9974 10084 12083 11453 4246 3710 3331 1 14404 1 7175 7299 6188 5566 11626 9769 6114 6243 6391 6248 6993 7076 1 15277 9925 10144 5920 5871 10897 11795 16377 17208 6315 5630 356.1649 *356.1727* 356.1727@2.3851223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14952 11714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1727 *356.2333* 356.2333@1.1857184 1 1 1 1 1 1 2328 3255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 1 1 1 1 356.2333 *356.2433* 356.2433@1.1412374 1 1 1 1 1 1 2060 1 1 5834 3506 3883 1 1 1 6197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5753 1 1 1 1 1 6771 1 1 1 7233 1 8409 6778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2433 *356.2499* 356.2499@1.1441293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6027 1 1 1 1 1 1 1 1 1 1 5140 1 1 1 1 1 1 1 356.2499 *356.2566* 356.2566@1.1285021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5758 4969 1 1 1 1 1 1 18026 19138 1 1 1 1 1 1 1 1 1 1 1 12654 1 1 1 1 1 1 5293 4924 1 1 11940 8964 1 1 11619 9895 1 1 8858 8742 10260 10849 11639 5896 1 1 1 1 1 1 1 1 1 1 1 1 1 6912 1 1 1 1 3218 1 356.2566 *356.2622* 356.2622@1.1263409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2622 *356.2743* 356.2743@1.0324233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7975 12869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2743 *356.2804* 356.2804@1.0622087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6374 1 1 356.2804 *356.2838* 356.2838@1.0688523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3911 2298 1 1 1 1 1 3921 1 1 1 1 1 1 4469 1 2988 35428 1 1 1 1 1 1 1694 1 2031 1 1 1 1 4749 1 1 1 1 1 1 1 1 1 1 1 10666 1 1 1 1 1 1 3880 1 1 1 7283 7644 5515 5290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2838 *357.0504* 357.0504@1.0170062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7987 8847 1 1 1 1 357.0504 *357.1224* 357.1224@0.75989753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3668 3776 1 1 1 1 1 1 1 1 357.1224 *357.1683* 357.1683@1.0463437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.1683 *357.1762* 357.1762@2.0802264 10018 8902 8296 8541 7179 1 15402 11225 1 12011 13522 12808 12153 13106 15141 21093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.1762 *357.1769* 357.1769@2.167112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.1769 *357.1828* 357.1828@1.1093581 6203 5719 1 1 1 1 1 1 1 1 1 2822 3393 3552 3064 3212 3766 2897 4327 4622 1 1 3260 2900 1 1 1 2648 2675 2010 1 1 1 1 1 1 1 1 1 1 3173 2744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.1828 *357.1845* 357.1845@1.1089252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2366 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.1845 *358.0357* 358.0357@3.5088265 1 1 1 1 1 1 1 1 1 1 2461 2558 1 1 1 1 1 1 3419 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 1 1 1 3969 4596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.0357 *358.0613* 358.0613@1.6266797 1 1 1 1 1 1 1 1 10396 1 1 1 1 1 1 1 1 1 14331 13845 1 1 9306 1 1 1 1 1 1 1 1 1300 1 1 1 1 1 8569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5799 1 1 5654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4957 1 1 1 1 1 1 1 6576 1 4837 1 1 1 1 1 358.0613 *358.107* QUERCETIN TETRAMETHYL (5,7,3',4') ETHER 1 1 4067 1 1 1 1 1 11035 11632 18656 19026 3019 3338 1 1 1 1 9538 8514 11884 12124 4956 4658 1 1 1 1 1 1 5291 6263 3329 2722 1 1 1 1 4183 5877 4705 4689 1 1 37239 35721 1 1 1 1 8138 8079 1 1 7922 7801 15537 15479 1 1 56914 55577 1 5174 15860 15232 11370 11134 5178 5761 1 1 1 1 6841 6879 1 1 5088 5781 7269 8654 6349 7581 11637 11453 1 1 1 1 358.107 *358.1073* 358.1073@1.2621326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6945 6449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1073 *358.1081* 358.1081@1.1425229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54022 52014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1081 *358.1224* 358.1224@0.73448133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7166 7197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1224 *358.1584* Cilastatin 4294 3990 4231 4726 4427 4926 3523 3555 5074 4959 4788 4625 4214 3488 5637 5590 3532 3911 6519 6559 5636 5762 4753 4976 5039 5471 5991 6136 5856 4865 6543 6053 5738 5625 6719 6757 6120 5805 4931 5054 6003 6499 6140 6760 6079 6273 5987 6057 8427 8207 7018 6643 7315 7219 7483 6993 7935 7296 9263 9401 8751 8149 5294 5305 6579 6581 7747 8714 7305 6998 11759 11122 6080 6262 6407 6676 7814 7790 7864 8356 9019 9020 11040 10948 9536 9471 8121 8165 7259 7407 C01675 358.1584 *358.1952* 358.1952@1.1242049 1 1 1 1 1 1 1 1 1 1 1 1 2680 1 1 1 2255 6379 1 1 1 1 7869 9372 1 1 1 1 1 1 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 358.1952 *358.2027* 358.2027@1.1255891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4642 1 358.2027 *358.2138* C10 H31 Cl N10 S 29666 29450 6952 4149 1 1 5076 13704 1 11899 9425 10494 4406 6525 16995 13819 1 1 9910 9320 9857 10304 2324 1 10659 3587 12895 10899 1 6945 1 1 1 1 1 1 12982 5730 10578 9456 16705 17929 1 1 1 1 8434 8875 1 1 17949 17613 1 1 12493 8495 1 1 1 1 1 1 1 1 25489 24394 3202 4375 1 1 10945 10289 1 1 1 1 1 2299 2796 1 30781 15606 7354 5495 9083 3936 1 1 1 1 358.2138 *358.2171* 358.2171@1.1090862 1 1 1 1 1 1 1 1 6797 1 3038 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 1 1 30711 1 1 3068 8272 8534 1 1 1 1 1 1 1 1 1 1 3775 8944 1 1 1 1 1 1 3290 3576 1 1 1 1 2082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6156 1 1 1 6353 5583 1 1 1 1 1 1 7843 8564 1 1 358.2171 *358.2283* 358.2283@1.1200368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2283 *358.2399* 358.2399@1.0606096 5909 17296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 6651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2399 *358.2427* 358.2427@1.9730406 1 1 1 1 1 1 3022 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2427 *358.2498* 358.2498@1.0614485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4735 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2498 *358.2584* 358.2584@1.1425431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2584 *358.2614* 358.2614@1.1694735 1 1 1 1 1 1 2078 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1452 1 1 1 1 1 2611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9636 1 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 2405 1 1 1514 1 1 1 1 358.2614 *358.2741* 358.2741@1.1658816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3111 1 358.2741 *358.2832* 358.2832@1.0275127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2832 *359.0815* 359.0815@2.2560291 1 1 1 1 1 1 266267 260255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.0815 *359.1012* 359.1012@2.0467157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4045 3724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.1012 *359.118* 359.118@2.1422489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295235 295486 1 1 359.118 *359.1192* 359.1192@3.034152 1 1 1 1 1 1 1 1 1 1 9666 9365 9692 10027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11503 1 1 1 1 1 1 1 1 1 1 10121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9293 9138 1 1 6340 5974 23188 21198 1 1 9541 8158 1 1 1 1 1 1 1 1 1 1 1 1 6285 5836 1 1 1 1 359.1192 *359.2232* 359.2232@1.0252303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.2232 *359.2642* 359.2642@1.204534 1 1 1 1 1 1 2037 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.2642 *359.9592* 359.9592@1.110038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 2493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.9592 *360.0654* 360.0654@0.82169735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 1 1 1 360.0654 *360.088* 360.088@0.73447895 3055 3141 1 1 1 1 7820 8056 1 1 3225 1 1 1 1 1 7723 7560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6740 6596 4012 3977 3271 3889 2953 1 3527 3805 1 1 1 1 1 1 1 1 1 1 1 1 2825 2917 5337 4978 1 1 1 1 1 1 3343 2555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3644 3023 1 1 1 1 360.088 *360.0902* 360.0902@0.7511792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3382 3765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.0902 *360.1138* 360.1138@0.72478646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 4348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.1138 *360.1312* 360.1312@2.7969315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6540 6557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4655 1 1 1 1 1 1 4359 360.1312 *360.1971* 360.1971@1.1628377 39226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.1971 *360.1972* Aldosterone 2580 30607 4474 4393 8041 10025 8032 1 8730 1 15689 18644 23522 24378 19412 15522 19083 22206 13947 14123 1 1 36389 23083 9499 20469 10764 12519 16415 6542 8571 12349 19445 22772 7304 11946 35574 38020 7034 8350 11437 9443 1 1 12079 9284 8857 9195 15122 13699 22097 21156 9837 13081 5870 4737 12809 11792 10898 8989 1 7647 6257 6155 26068 26363 10824 9674 10573 8250 42671 41366 7843 9560 7512 7317 10899 14408 1 1 1 1 6834 6340 17609 17403 8282 6635 19749 20809 HMDB00037 C01780 360.1972 *360.2079* 360.2079@1.109928 1 1 1 1 1 1 1 1 1 1 1 1 4374 5983 1 1 3144 1 1 1 1 1 1 7938 9531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3234 1 1 1 1 3210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.2079 *360.2153* 360.2153@1.1013509 1 1 1 2797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 1 1 2154 1 1 3780 1 1 1 1 1 1 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.2153 *360.2202* 360.2202@1.1041824 28042 1 1 1 2158 1 4808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3156 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 360.2202 *360.2253* C12 H34 Cl2 N8 20274 26761 1 1 1 1 1 1 1 2269 1 1 1 1 1 1 1 2869 6022 3925 1 1 4086 1 1 6951 8298 9910 3639 9450 1 1 1 1 2680 1 6462 4250 1 1 19318 19251 1 1 3571 1 3199 3801 1 1 11363 10153 1 1 1 5475 1 1 2613 1 1 1 1462 1 34436 32442 1 1 1 1736 5309 6775 1 2420 1 2468 1897 1 8078 11141 5125 9229 1 1 1 2461 1 1 1 1 360.2253 *360.2312* 360.2312@1.027585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4557 3219 1 1 1 1 1 1 1 1 1 1 4721 4712 1 1 7598 7631 1 1 1 1 1 1 1 1 1 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6403 1 1 1 1 1 1 1 1 360.2312 *361.1081* 361.1081@1.1713284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64084 65682 1 1 55977 55820 1 1 1 1 1 1 1 1 1 1 55813 55257 185821 187386 18649 17974 1 1 1 1 88439 87814 1 1 13326 13738 1 1 1 1 1 1 511201 517356 1 1 1 1 21904 22636 1 1 1 1 1 1 1 1 42268 43729 20070 19981 1 1 1 1 7832 9604 1 1 361.1081 *361.1081* 361.1081@1.702341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11600 10908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29834 27330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3955 1 1 1 1 1 1 1 1 1 8561 8668 1 1 1 1 1 1 1 1 1 1 361.1081 *361.1082* 361.1082@1.9638462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5092 4313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14810 13453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3587 1 1 1 1 1 1 1 1 1 1 1 361.1082 *361.1088* 361.1088@1.3419969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 3043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 4136 1 1 1 1 1 1 1 1 1 1 1 4963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.1088 *361.244* 361.244@5.9718266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4001 3875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 1 1 361.244 *361.333* 361.333@1.1715109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.333 *362.011* C17 H14 O3 S3 1 1 1 2442 1 1 8276 9365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5432 5717 7899 7521 3450 3596 7546 6834 2692 3008 15173 14439 1 1 3861 3845 4413 5070 1 1 1 1 1 1 12969 12031 4464 4200 6203 6409 1 1 1 1 1 1 3022 3209 1 1 7790 7440 1 1 1 1 1 1 1 1 1 1 4874 5019 7482 7349 1 1 1 3257 4345 4821 5701 5729 362.011 *362.0135* 362.0135@2.4482815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7627 6839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.0135 *362.0135* 362.0135@2.824376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.0135 *362.0138* 362.0138@2.3500917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11107 12544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.0138 *362.0667* 362.0667@1.1370571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7807 8020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1 1 2146 2688 1 1 2889 4378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.0667 *362.1193* 362.1193@2.8526225 1 1 4640 3989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4281 3609 1 1 1 1 1 1 1 1 4035 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4179 4878 1 1 1 1 5161 6291 362.1193 *362.1239* 362.1239@2.3089828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1239 *362.1304* 362.1304@1.5524336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6887 7352 1 1 362.1304 *362.1488* 362.1488@1.138355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1488 *362.1566* 362.1566@1.1966807 1 1 1 1 1 1 1 1 1 2996 1 1 1 1 1 1 9107 9496 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 12422 12380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1566 *362.1664* 362.1664@1.142905 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1664 *362.1767* 362.1767@1.1430143 1 1 1 1 1 1 1 1 2811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1767 *362.1852* 362.1852@1.13662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 362.1852 *362.1922* 362.1922@1.1463051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 3357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1922 *362.2078* 20alpha-Dihydroprednisolone 1 2669 1 1 31128 29713 1 4865 1 45103 1 1 1 1 1 5920 1 1 1 1 26578 1 15628 9401 5620 1 35491 1 1 1 1 1 1 1 1 1 66411 1 1 1 1 43305 1 1 1 1 1 32851 1 1 1 37532 55929 1 1 44895 1 1 1 1 32102 34067 1 1 37354 1 1 1 1 1 25707 1 1 1 1 1 1 1 1 1 1 59545 38991 1 61050 58430 83720 79781 17915 1 362.2078 *362.2085* 362.2085@1.1904743 1 10568 1 1 1 1 1 1 1 1 1 1 1 1 1 36186 1 1 1 1 1 1 1 1 1 1 1 1 1 8335 1 1 25130 1 1 1 1 68876 1 1 1 1 1 1 21276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2509 44575 43757 1 1 1 1 1 1 1 1 1 36375 1 1 1 1 1 1 1 1 1 1 1 1 362.2085 *362.2091* 362.2091@2.064161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2091 *362.2104* 362.2104@1.9731178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12978 12879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2104 *362.2283* 362.2283@1.1083468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11889 12376 1 1 1 1 1 1 1 1 362.2283 *362.2347* 362.2347@1.1047049 1 1 1 1 1 1 1 1 1 1 1 1 1 6223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10181 9156 1 1 1 1 1 5237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2347 *362.2382* C21 H34 N2 O S 1 1 5414 5745 6109 7173 7506 7707 7597 8964 7433 7562 4730 1 8979 10237 5630 6249 8848 8844 9265 9074 12640 11433 10303 11175 10046 9675 1 13392 8744 8372 11748 11948 5652 4634 1 1 10092 10207 1 1 1 1 11876 11368 9884 10469 6739 6775 13191 13408 8222 7729 9528 8799 8702 8765 8101 9283 9039 8321 7966 7460 45509 48065 8773 10767 8229 8572 11513 11286 6850 6839 8390 6406 9857 6865 12197 10826 1 1 7477 8321 11540 11796 5820 7165 8034 7999 362.2382 *362.2708* 362.2708@1.0478857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3426 3469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.2708 *363.007* 363.007@0.83169603 1 1 1 1 4729 5125 1 1 14611 11341 6786 7248 1 1 1 1 1 1 8240 11895 1 1 10160 9221 1 1 1 1 1 1 1 1 1 1 3132 3464 1 1 1 1 5714 3815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2827 1 2880 2662 1 1 2988 1 11258 10834 1 1 3626 1 1 1 1 1 1 1 9334 9310 1 1 5663 5044 363.007 *363.0545* 363.0545@1.1435237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2000 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.0545 *363.2101* 363.2101@1.1543882 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2101 *363.2427* 363.2427@1.1695263 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2427 *363.2441* 363.2441@1.1988077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2441 *363.2838* 363.2838@1.1688309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 2438 1 1 1 1 1 1 1951 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2838 *364.02* 364.02@0.8346076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4037 3764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7766 7834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.02 *364.0805* 364.0805@0.9057625 2257 1 1 1 1 1 6400 5915 1 1 2867 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3261 3149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4990 5182 2892 2793 1 1 1 1 1 1 1 1 364.0805 *364.092* 364.092@1.1630943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3670 1 1 1 1 364.092 *364.1111* 364.1111@1.6287895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10084 1 1 1 1 1 364.1111 *364.1622* 364.1622@1.1455832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1622 *364.1669* 364.1669@1.1856488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1669 *364.1783* Ser Lys Met 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 2208 2231 2066 2337 1 1 1 2203 1 1 1 2015 2536 1 2342 2700 2669 2511 2194 1 2117 1 2464 2461 1 1 2198 2198 1 1 2544 2577 3129 2974 3191 2865 2599 2516 2458 2456 2533 2232 2080 2226 2513 2764 2547 2645 2925 3139 2921 2923 3415 3763 2474 2603 2837 3007 2589 2742 2579 2847 2902 2757 2851 2675 3518 3442 3313 3340 2417 2242 364.1783 *364.2233* 364.2233@1.0721676 1 1 1 1 1 1 1 1 1 1 1462 1 1 1 1 1 1 1 2953 2903 1 2267 2099 1 1 1 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4623 3424 1 1 1 1 2727 2509 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 364.2233 *364.2265* 364.2265@1.1493843 3858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.2265 *364.2274* 364.2274@1.0750295 4433 5362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.2274 *364.2339* 364.2339@1.1453804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.2339 *364.2451* 364.2451@1.1616611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.2451 *364.247* 364.247@1.1389586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.247 *364.2559* 364.2559@1.12974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4012 1 1 1 1 1 1 5693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4929 7500 3286 1 1 1 1 1 1 1 1 1 1 1 5032 364.2559 *364.2588* 11-deoxy-16,16-dimethyl-PGE2 20676 20676 15869 15686 25727 26756 19886 19655 24128 23487 26804 28683 19877 19572 32582 28881 16022 17243 19444 90107 19288 17401 30113 32670 32433 32322 28592 27499 30422 30739 23218 22456 35837 35254 15001 15725 1 29954 27259 28467 31240 28355 10191 12450 32129 29299 30783 30497 22531 23043 30837 33815 118227 116875 21519 23543 22812 17081 26871 24865 29591 29164 23262 25395 75847 77449 37888 36958 23643 23786 20445 21754 16270 16588 27093 19572 28305 31483 23138 26213 22617 21842 1 27580 37565 36434 19744 20035 24304 20203 364.2588 *364.8889* 364.8889@1.0891885 2489 2760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3992 3702 1 1 1 1 1 1 1 1 1 2227 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 2364 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18333 17446 1 1 1 1 364.8889 *364.9629* 364.9629@1.1543412 7604 7213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 1 1 1 2443 2594 1 1 1 1 1 1 1 1 11380 17003 1 1 1 1 1 1 1 1 1 1 14255 12760 11140 10765 6380 5955 1 1 1 1 1 1 5871 6524 5187 4540 1 1 1 1 1 1 1 1 1 1 12012 12214 1 1 1 1 1 1 17330 16852 3199 6507 11204 11431 1 1 1 1 5916 5459 364.9629 *365* 365.0@3.5657988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3426 11594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365 *365.0201* 365.0201@0.76015747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4289 4931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.0201 *365.0514* 365.0514@1.5107788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.0514 *365.0521* 365.0521@1.5551119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8446 6509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.0521 *365.2871* 365.2871@5.748176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 3192 3510 1 1566 3666 3548 1 1 1 1 1851 2179 1 1511 4671 4297 1 1 1755 1851 2411 3133 4330 4887 3090 2951 5338 5034 2271 2774 1 1 1982 2187 365.2871 *365.8757* C8 H2 N2 O7 S4 7756 7393 6020 6063 6834 7189 6378 6860 6541 6653 8098 7805 6376 6765 7025 7583 6633 7002 7432 8378 7034 6877 6400 6957 8221 7945 7296 9085 7361 7246 7428 7387 6887 7335 7652 8209 6816 8723 7211 7607 7129 7594 6269 5912 6772 7007 6626 6467 6542 6268 6813 6615 7487 7812 6457 6184 7479 7367 7166 7035 7627 7899 8505 8116 7428 7340 7099 7470 6625 6665 11678 9026 6419 6382 7096 7186 6881 6340 7932 7726 8011 6626 7452 8415 7611 7632 8109 7945 7411 7034 365.8757 *366.0429* 366.0429@0.7146489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4159 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0429 *366.0793* 366.0793@0.8318471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10083 10458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0793 *366.1075* 366.1075@4.2204676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64486 64741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1075 *366.111* 366.111@6.9548216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3216 4740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.111 *366.1489* 366.1489@0.9168953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5380 5514 1 1 1 1 1 1 1 1 1 1 366.1489 *366.1605* 366.1605@1.1283634 1 1 1 1 1 4044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1605 *366.2261* 366.2261@1.1570308 1 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4429 1 1 1 1 1 1 1 1 1 1 3024 5727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2261 *366.2285* 366.2285@1.1540875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8577 1 1 1 1 366.2285 *366.2388* 366.2388@1.1562141 1 3203 1 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 1 1 1 1 1 3425 3680 1 1 1 1 1 1 1 1 9835 10088 1 1 1 1605 4332 3755 1 1 1 1 3097 15973 1 1 3905 1 1 1 1 1 1 1 1 1 2373 1 3579 1 1 1 7443 48689 4601 1 1 1 1 1 1 1 1 1 1 3632 1 1 1 1 1 1 11043 1 1 1 1 3381 366.2388 *366.2422* 366.2422@0.80382293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14448 14402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2422 *366.2431* 366.2431@1.1540849 1 1 1 1 1 1 1 1 1 3023 1 1 1 1 8312 3634 1 1 1 1 1 2439 1 1 1 2620 1 2580 1 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3307 1 1 22228 4123 1 1972 1 3903 1 1 1 1 1 4826 2414 1 1 1 1 1 1 1 1 6373 1 1 1 1 1 1 1 1 1 1 1 1 366.2431 *366.2509* 366.2509@1.103392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2716 1 1 1 1 1 1 1 1 366.2509 *366.2592* 366.2592@1.1131899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2592 *366.267* BEPRIDIL 59165 61195 46172 36637 1 1 60124 53326 67579 82023 78677 76427 64761 79439 80095 65272 11915 1 84175 1 73323 75013 96352 98118 90108 86831 78299 84268 74275 71582 81560 69960 94503 91152 47507 46723 4851 1 107149 105278 1 1 48696 49854 75421 77268 77954 79131 58535 59831 124905 125895 1 1 58238 72364 101443 95465 87307 77985 1 1 1 1 1 1 1 1 1 1 62537 67292 50069 52052 65354 65846 1 4222 56426 59539 71655 67740 1 1 1 106461 155249 151208 1 1 366.267 *366.273* 366.273@1.076257 1 1 1 1 81094 81811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102983 108696 1 1 100445 100782 1 1 4094 5002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88787 87616 63975 64555 144120 142572 87161 81722 85057 77961 1 1 1 1 1 1 80074 74276 1 1 1 1 69104 71941 105460 1 1 1 64053 62286 366.273 *366.8865* 366.8865@1.0893773 3775 3829 1 1 1 1 1 1 1 1 2323 2586 1 1 1 1 1 1 1 1 7616 8150 1 1 1 1600 1 1 1 1 2417 3254 2224 1 1 1 1962 2275 1 1 1 1 1 1 1 1 1 1 1 1 3196 3210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 366.8865 *367.017* 367.017@0.8180336 1 1 1 1 1 1 9227 9374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.017 *367.1063* 367.1063@2.068361 11647 12194 1 1 1 1 1 1 1 1 8298 8324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6061 6250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12093 12120 367.1063 *367.1072* 367.1072@2.3370125 1 1 1 1 1 1 12585 7440 1 1 1 1 1 1 1 1 1 4304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.1072 *367.1147* C13 H22 Cl N3 O7 1 16379 13315 13914 12405 13070 12372 12758 14633 13445 1 20300 14053 15350 2133 13781 14235 13955 8056 7873 1 14218 1 1 10845 14078 1 1 19753 1 1 1 1 13742 1 13933 1 1 17562 16499 15946 14627 23128 1 14970 1 18423 18696 15649 1 12727 12173 13012 12804 22351 1 2544 11846 15163 16134 1 16182 11870 12528 11932 12515 11162 13510 14270 13436 12525 12768 18202 19014 1 14060 16683 17918 12877 13159 12829 12811 14440 13767 1 1 11709 14668 15961 15820 367.1147 *367.1148* 367.1148@2.3700988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.1148 *367.1152* 367.1152@2.7662027 16212 1 1 1 1 1 2774 2441 1 1 20195 1 1 1 11320 1 1830 1 5787 5132 13714 1 13397 12627 1 1 18406 16255 1 19858 17693 17401 14660 1 13868 1 20272 20100 1 4425 1 1924 1 21712 1 14550 1 1 1 17753 1 1 1 1 1 21454 10189 1 18356 1 15003 1 13165 14576 1 6898 1 1 1 1 2415 1969 1 1 13608 1 1 1 1 1 1 1 1 1 18898 20160 1 1 1 1 367.1152 *367.1155* C9 H19 Cl2 N11 O 17280 17336 13174 13395 11275 12175 16282 16471 18176 20172 19044 18447 14898 14023 16630 16073 10287 13404 13483 1 17037 17652 13036 13109 22784 25292 11647 12064 15362 16373 11050 11600 10576 10966 13791 15146 15358 13169 6310 7094 13035 12430 12734 8590 12409 11930 11984 11895 17054 15373 30849 30823 18996 19298 14884 13973 20539 23303 2668 23623 21258 21889 13549 4077 11973 3933 12744 13051 12201 11134 27116 26344 9656 9038 12807 10187 10823 12795 16067 16340 21808 21194 23912 25612 22822 23450 17679 19142 11724 11753 367.1155 *367.1661* C18 H26 Cl N3 O3 11049 10865 1 1 1 1 1 3019 1 1 3799 1 3766 3511 6159 6494 1 1 7212 6661 1 4019 4666 5006 9207 9484 11540 11653 12230 12713 1 1 1 1 1 1 8073 8693 4524 4488 9445 9376 1 1 3983 4081 3611 3865 1 1 9119 9627 1 1 7321 7206 1 1 5389 5089 1 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12716 12669 4060 3940 1 1 1 1 1 1 367.1661 *367.2715* 367.2715@1.1110724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 1 1 6987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 367.2715 *367.8738* 367.8738@5.545717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 367.8738 *367.9055* 367.9055@0.69601417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.9055 *367.9062* 367.9062@0.70110893 1 1 29470 29618 12600 11092 203535 203535 1 1 1 1 56201 56307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9334 4878 1 1 2552 2370 1 1 1 1 1 1 1 1 1 1 31133 6627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15307 14001 1 1 1 1 1 1 1 1 367.9062 *368.0407* 368.0407@1.215671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59440 56471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5316 6190 1 1 1 1 368.0407 *368.0435* C24 H13 Cl S 20775 20354 6611 7304 6929 7782 27655 26221 8938 8614 7519 8305 10744 11042 9084 10471 11652 11471 13579 13096 9032 9232 7231 6979 7766 7987 7133 5941 8230 8347 2520 4662 8285 6778 2129 1765 3766 3907 2300 3633 5698 5088 2087 1935 5633 5614 6845 5784 1973 2237 4508 3868 1998 1523 2272 2783 5329 5215 4073 4370 2262 2196 1 1 4526 3514 4166 2795 2149 2355 1 3304 1646 1916 1651 1669 2088 2048 7560 10366 5455 5375 4410 4371 7578 8134 7017 8125 6430 5583 368.0435 *368.0444* 368.0444@1.3083794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 368.0444 *368.0546* DIACERIN 1 2533 1 1 1 1 9315 10310 1 1 2356 2774 2400 1 2378 1 7434 7947 4061 3494 3617 3563 4076 4869 3162 2965 1 1 1 2262 1 1 2323 1 5155 4824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 2855 1862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2218 2095 2490 1916 1 2685 1 5581 4554 1 1 6244 5637 368.0546 *368.0552* 368.0552@1.6391135 1 1 1 1 1 1 18997 19706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7864 7853 1 1 368.0552 *368.1115* 368.1115@2.8546605 1 1 1 1 1 1 1 13246 1 1 1 1 1 1 5344 1 1 1 33673 36163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7588 1 1 10876 7761 1 1 1 1 42806 52093 1 1 1 4022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11122 1 8030 6536 1 1 1 368.1115 *368.1116* C17 H20 O9 74300 73539 57058 63328 57450 58727 60708 47505 61935 67498 91476 59854 61723 63418 50223 57156 67872 64110 8289 1 61228 61076 58959 53610 64250 64448 77119 78225 91190 87261 74133 72419 60397 63893 17141 65066 42716 91046 74020 78567 62452 70229 108062 97444 65771 65692 79874 85171 66786 78577 55663 56436 61487 55433 93505 98451 48293 51130 63889 72523 72578 13913 11817 5101 57108 52293 54852 41068 60311 57083 52886 56213 81830 82919 60660 56456 76558 73803 60513 57534 55542 56893 66626 55738 13657 1 58187 55624 71988 71590 368.1116 *368.1119* C10 H20 N6 O7 S 84164 83834 58152 60567 52174 51362 86029 83295 84562 75714 87171 76499 68926 67392 68966 67895 1 1 50436 70197 71816 76008 53604 56078 109220 108602 57986 52546 70523 66511 44105 49017 40899 43145 65595 63947 58744 57121 47320 50360 52154 43297 54020 57986 52237 54372 51646 48435 69099 67485 1 1 78704 83538 62977 69053 94464 96146 1 1 100902 98076 56504 57348 52855 46476 50537 46518 51234 43027 121315 120290 34125 23244 53407 51132 58579 56559 71901 76841 93788 93044 115341 114998 106007 105875 1 87794 51436 46506 368.1119 *368.1121* 368.1121@2.7473223 1 1 1 1 7840 6375 8538 8318 1 1 1 1 1 1 5125 7115 1 1 15634 1 1 1 1 1 11336 1 1 1 1 1 1 1 1 1 38109 1 46123 1 1 1 1 1 1 1 1 1 1 1 8673 1 1 1 4245 6190 1 1 1 1 1 1 1 48606 65799 61837 5294 1 6428 1 1 1 9184 9466 1 12346 1 1 1 1 1 5573 8424 7732 1 1 80060 79353 1 1 1 1 368.1121 *368.1121* 368.1121@2.7519002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1121 *368.1525* 368.1525@1.0863837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1525 *368.1583* 368.1583@3.183725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33131 45711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10752 7739 1 1 1 1 1 1 1 1 3275 7748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6242 2321 13967 14547 1 1 1 1 1 1 1 1 368.1583 *368.1586* 368.1586@3.2270935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1586 *368.1624* Testosterone sulfate 62338 55620 15199 14622 10073 10403 15482 14857 8393 9282 17345 17110 19728 18509 33137 33334 16487 13796 35234 36448 20947 21539 24581 24417 48262 48104 61033 59855 63982 65353 5434 6453 13818 15754 14872 13150 40436 43841 24590 23153 45902 48545 14455 15014 19562 22856 20624 21174 8081 8141 45669 42532 13867 16467 39342 35089 14168 11365 24774 25309 13882 17188 10942 10719 11841 11511 9824 10122 13305 11156 14017 12953 13563 11753 10516 8631 12715 12517 11362 12191 70094 68345 17932 18694 12886 14145 15480 17764 11004 12293 HMDB02833 C00535 368.1624 *368.1635* 368.1635@0.7641263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1635 *368.1642* 368.1642@1.0259378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28255 1 1 1 1 1 3049 1 1 1 5206 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 4700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6662 1 1 1 1 3704 21980 1 1 1 1 368.1642 *368.1647* Testosterone sulfate - 0.8743172 186511 192985 47758 47583 64323 64139 110875 112127 111323 114505 214672 214092 63511 63354 161499 157928 71813 62324 143984 146847 464643 421165 337271 371283 241524 245388 214608 219725 739037 749041 55504 56356 1012514 1018318 103734 104151 472796 481910 286414 271749 365894 370336 565132 571318 157689 157142 56681 56042 151034 153090 649361 648180 248304 245429 279667 278020 1259683 1276364 417429 420532 153909 156257 100107 98102 358750 353405 99266 99446 285038 287138 1134814 1130174 147924 146117 117411 116414 232921 232907 762078 795179 227446 244293 845396 853692 494516 471572 93356 91525 280140 284562 HMDB02833 C00535 368.1647 *368.1655* 368.1655@1.0415709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1655 *368.1779* 368.1779@1.0266978 1 1 1 1 1 1 1 1 1 1 14050 1 1 1 1 1 1 1 1 1 1 1 1 21309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1779 *368.2021* 368.2021@1.1227086 1 1 1 1 1 1 1 1 1 1 1 1 8583 9226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8221 1 1 1 19828 22849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2021 *368.2108* 368.2108@1.1214614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2108 *368.2205* 368.2205@0.8243409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 10618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2205 *368.2223* 368.2223@1.080265 2392 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2223 *368.2238* 368.2238@1.1393765 2419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2238 *368.2272* 368.2272@1.150886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 2506 1 1 1 4076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3903 1 1 1 1 1 2733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5664 1 1 1 1 1 1 1 1 1 1 368.2272 *368.2443* 368.2443@1.1399574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 1 1 1 1 1 1 1 1 1 5858 1 1 1 3259 1 1 1 1 1 1 5916 1 1 3996 1 7589 1 1 4912 1 1 1 1 1 1 1 1 1 2981 3255 1 1 1 1 1 1 1 1 23174 1 1 1 1 1 1 1 1 1 1 1 5493 5342 1 1 1 1 4534 1 1 1 1 1 1 1 368.2443 *368.2468* 368.2468@1.1454781 1 1 1 1 1 1 1 1 1 1 1 5525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4702 1 368.2468 *368.2531* 368.2531@1.125767 1 1 1 1 1 1 10858 1 1 1 1 1 1 1 1 1 1 21791 1 1 1 1 1 1 1 1 8322 1 1 1 1 1 1 1 4018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7355 1 1 1 1 1 1 6424 5280 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2531 *368.2593* 368.2593@1.0988488 1 1 1 8345 1 1 1 13554 1 1 1 1 15912 1 1 1 23083 3052 1 18310 1 1 20836 21915 1 1 1 1 1 4946 1 1 26308 26022 1 2250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26658 22620 1 1 1 19859 1 10564 1 7149 1 1 1 1 8911 1 1 1 6540 1 7125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5583 368.2593 *368.2678* 368.2678@1.0831236 1 1 1 1 1 1 1 1 15734 1 1 1 1 1 1 13590 1 1 1 1 1 1 1 1 1 1 1 1 20075 18393 1 21416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13178 11997 1 1 1 1 12233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12838 13435 1 1 1 1 1 1 1 1 1 1 368.2678 *368.2762* 368.2762@1.0909225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2762 *368.3229* 368.3229@0.8983867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 368.3229 *368.387* 368.387@0.87230563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 1 1 1 1 1 1 3193 4308 1 1 1 1 1 1 1 2877 1 1 1 1 2934 2711 1 1 1 1 1 1 3519 3168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4243 1 1 1 3649 1 2059 1 1 1 1 1 368.387 *368.933* 368.933@1.6290556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3204 1 1 1 1 1 1 1 368.933 *369.0776* 369.0776@1.1335068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26592 27428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.0776 *369.0854* 369.0854@0.9945044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.0854 *369.0946* 369.0946@1.40258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9358 8920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.0946 *369.1162* 369.1162@2.6660023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11170 1 4318 4040 1 1 1 5220 1 1 1 1 1 1 1 1 1 5311 1 1 1 1 1 1 1 1 1 13772 1 1 1 1 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.1162 *369.1664* 369.1664@0.9163859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.1664 *369.2406* 369.2406@1.0144377 3090 3215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3203 2872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.2406 *369.903* 369.903@0.6997616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6733 1 1 2641 2355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.903 *369.977* 369.977@0.7521572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8483 8199 1 1 1 1 1 1 1 1 7141 8264 1 1 1 1 3433 3257 1 1 1 1 1 1 12500 12110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.977 *369.9823* C14 H10 O8 S2 3603 3934 10371 10761 4125 3787 6784 6593 14005 14970 7853 8064 1 1 5930 5890 1 1 8981 8721 15674 15345 14242 14183 9336 9627 3154 3259 9117 9080 4740 5282 5174 5411 4025 4525 9357 9418 11497 11926 10390 9991 3308 3347 1 2694 3891 3542 6856 7228 21912 20663 4686 4243 5669 5949 4863 4864 14167 13984 5040 5344 3841 3662 5054 4592 4558 4578 6700 6833 6033 6457 3503 3974 4642 4389 15326 14575 7920 8021 1 1 8719 8496 9007 9236 1 1 6413 6421 369.9823 *370.0275* 370.0275@1.233106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28065 26173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.0275 *370.0315* 370.0315@1.1415219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11370 11593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.0315 *370.0708* 370.0708@1.3047142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.0708 *370.0719* 370.0719@1.5711204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8769 6890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.0719 *370.075* 370.075@2.0499988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8097 1 1 1 1 1 1 1 1 1 1 1 7844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.075 *370.0774* 370.0774@2.000274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4254 4700 1 1 1 1 1 1 1 1 1 1 2781 10577 1 1 1 1 9989 10749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.0774 *370.0867* 370.0867@1.5494206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7899 5629 1 1 3330 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.0867 *370.1066* 370.1066@2.553124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2886 2669 1 1 1 1 1 1 1 1 370.1066 *370.1075* 370.1075@2.857996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6928 6783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1075 *370.1164* 370.1164@2.8134072 1 1 4017 1 1 1 1 1 1 1 1 1 1 1 1 5615 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1164 *370.1536* 370.1536@3.1729653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1536 *370.1763* 370.1763@0.73807514 1 11453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1763 *370.1787* 370.1787@0.9778094 1 1 1 1 1 7095 1 1 1 20472 20343 20072 1 1 1 1 1 1 1 1 7920 271431 1 6808 1 1 1 1 1 1 1 1 1 121019 1 5819 1 1 46396 1 1 1 5531 5798 1 1 1 1 1 1 1 1 1 1 15166 1 1 1 1 1 1 1 1 1 8272 10691 1 1 1 1 1 1 1 1 1 1 4413 1 1 1 11411 1 1 1 9573 8618 1 1 4870 1 370.1787 *370.1794* 370.1794@1.0954233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1794 *370.18* 370.18@1.9733304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.18 *370.1802* 5beta-Androstan-3alpha-ol-17-one sulfate 318559 316033 171865 180500 31918 23947 986886 993805 78781 59804 61286 63200 86504 88860 53319 50077 1 10229 233122 237994 695831 300938 549938 522255 272641 276379 310208 314605 523820 472475 63452 64224 497312 340248 211264 225843 512229 519030 134312 165064 573739 577925 385368 394096 245698 244597 39857 39018 218629 220257 500247 496538 249016 290614 324846 361077 436762 442066 411503 416584 145077 146623 2893879 2920847 744181 762247 43100 43340 181963 201909 626970 631717 113912 115878 131750 136154 415124 419590 577512 683428 83155 90776 823605 816033 502432 496951 56844 57726 293845 299168 370.1802 *370.1849* 370.1849@1.0614692 1 1 1 1 1 1 2626 1 1 1 1 1 1 1 1 1 1 1 1 3289 1 1 1 1 1 1 1 1 7680 1 1 1 8241 8178 1 1 1 7920 1 1 3037 1 1 1 1 1 1 1 1 1 8835 11111 1 1 1 1 1 1 1 1 1 1 1 1 8402 11737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1849 *370.1899* 370.1899@1.0662274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2896 1 1 6849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1829 1 1 1 1 1 1 1 1 1 1 1 370.1899 *370.2017* 370.2017@1.0793741 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2017 *370.2187* 370.2187@1.0336621 1 1 10712 1 1 10533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2187 *370.2259* 370.2259@1.0228424 1 1 1 1 1 1 1 1 1 1 1 4619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2259 *370.2343* 370.2343@1.0361719 33200 32110 1 1 1 1 1 3393 1 1 5482 1 1 1 1 2811 1 1 1 1 1 1 1 5597 1 4303 1 13904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2343 *370.2385* 370.2385@1.0152289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 4894 1 1 1 1 1 3821 1 1 1 6517 6497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2385 *370.2423* 370.2423@1.0601219 1 1 1 1 1 1 1 1 1 1 1 1 6092 5845 1 1 1 1 1 5706 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4966 1 1 1 1 1 1 1 1 1 1 1 1 20568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2423 *370.2579* 370.2579@1.132739 3488 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 1 1 1 1 1 1 1 3407 5108 1 1 4095 3640 1 1 1 1 1 1 1 1 1 1 1 1 6433 1 1 1 1 1 1 1 1 4405 1 1 1 1 1 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 1 1 1 4581 1 1 1 1 1 1 1 370.2579 *370.2703* 370.2703@1.1295859 1 1 1 1 1 1 1 1 7089 5077 1 1 1 1 1 6445 4583 3511 1 1 1 1 1 1 1 1 1 1 6230 4401 1 1 3377 1 1 1 1 1 1 1 1 1 1 1 5813 1 1 1 1 1 1 1 1 1 1 1 1 1 4560 1 4719 5273 1 1 1 10123 6450 5768 1 6181 1 1 1 1 1 1 5265 4285 1 1 1 1 1 1 1 1 1 1 6039 4948 370.2703 *370.2734* 370.2734@1.1380321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2734 *370.2833* 370.2833@1.1587452 1 1 1 1 1 1 1 1 1 1 1 1 1 17039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2833 *370.293* 370.293@1.0750091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4462 1 1 1 2968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.293 *370.3028* C21 H42 N2 O S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2833 1 1 1 3399 2628 2895 1 1 3014 1 1 1 5806 3949 2323 2999 34149 4389 1 1 1 1 3228 3322 3247 3311 1 1 6001 6034 1 1 1 1 3455 4251 1 2551 1 2367 5633 6216 3523 4242 5409 4688 1 1 1 6203 5046 5322 10013 10456 3518 71857 1 1 1 1 1 2921 3365 3654 2349 2453 1 1 3604 3860 3933 3984 3432 1 370.3028 *370.335* 370.335@1.0381685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.335 *370.3419* 370.3419@0.90820825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6435 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 5841 1 1 3691 1 1 1 1 1 1 1 1 1 1 1 1421 3330 1 1 1 1 1 1 1 1 7340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3419 *370.4016* 370.4016@0.9099051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 1 1 1 1 1 370.4016 *370.4091* 370.4091@0.9046367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4063 1860 1 2557 1 1 1 1 2432 2441 1 1 1 1 1 1 1 2461 1 1 2422 3319 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 3387 1 1 1 1 3927 4580 1 1 1 1 1 1 3028 2663 1 1 1 5167 1 1 1 1 1 1 370.4091 *370.8125* 370.8125@0.90918815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.8125 *370.8654* 370.8654@0.91019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.8654 *370.9556* 370.9556@1.4084584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2648 1 1 1 1 1 2972 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2993 1 1 6687 1 6051 1 1 1 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 3549 1 6212 1 5158 1 1 1 1 370.9556 *370.9556* 370.9556@1.3858542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.9556 *370.9591* 370.9591@1.1410336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8019 4901 1 1 1 1 370.9591 *371.0011* 371.0011@0.908581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 4339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.0011 *371.0661* 371.0661@1.3308148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6635 7374 1 1 1 1 371.0661 *371.0959* 371.0959@2.064557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.0959 *371.1014* 371.1014@2.9112961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8691 1 1 1 1 1 1 22954 11487 1 1 371.1014 *371.1014* 371.1014@3.0255637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 371.1014 *371.1025* Nedocromil 1 1 1 1 1 1 1 1 3984 1 1 1 4207 3914 7918 8032 3311 3141 3495 3681 3763 3507 1 3680 6694 6535 2997 2899 3949 3801 3735 3891 1 1 1 1 6259 6189 3834 4029 7106 6874 1 1 1 1 4407 4186 4697 4933 1 5506 5011 4940 4419 4348 5342 4630 1 1 5063 5245 5482 6060 1 1 1 1 7798 6853 1 1 1 1 5094 5182 4550 4354 4267 4597 4437 4529 1 1 1 1 4370 4691 1 1 C07255 371.1025 *371.1453* 371.1453@3.2293477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11988 11638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1453 *371.1521* 371.1521@7.4573116 1 1 8823 8549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1521 *371.4167* 371.4167@0.9049679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.4167 *372.0152* 372.0152@2.0612907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5279 5432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 4085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.0152 *372.0983* C18 H17 Cl N4 O3 19270 17917 15005 15794 19386 19013 14916 15779 26941 23869 16050 16811 27045 26103 53474 50463 21927 22643 24031 25491 22015 22235 22191 22725 40418 41239 19449 19033 24941 25043 22370 22435 1 1 1 1 40942 41942 27543 26257 44300 46266 3177 1 11128 10615 29676 29252 31011 30793 28680 27580 33984 35223 28294 26848 31776 30081 21914 21315 34889 36660 29498 30837 11193 12022 18357 17371 38363 38274 19007 19040 6299 6449 31798 32458 28290 29988 24696 25993 27648 27509 13197 12586 17395 18084 29931 28859 13410 12939 372.0983 *372.1387* 372.1387@0.7214739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1387 *372.1427* 372.1427@3.2234063 1 1 1 1 3138 3093 1 1 1 1 1 1 1 1 5611 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54546 53915 1 1 1 1 1 1 1 1 1 1 1 1 9258 13744 1 1 1 1 1 2861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1427 *372.1438* 372.1438@3.2520201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1438 *372.194* 372.194@0.9630702 1 1 1 1 1 1 38461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49657 1 1 1 1 13136 1 1 1 1 1 27705 23422 21161 3901 1 1 1 1 9615 1 1 30426 1 10269 1 1 1 1 1 1 21954 1 1 1 1 1 1 1 1 1 1 1 32187 8641 1 9248 18960 1 31599 28351 1 1 7186 1 1 25892 19056 1 1 1 1 1 1 1 1 1 1 14297 372.194 *372.1952* 372.1952@0.99564624 25794 33862 3860 1 6844 8886 4428 1996 19923 61013 7212 6511 1 1 1 1 1 1 14678 18102 1 1 1 1 16653 16869 1 1 26753 24134 1 1 1 5076 1 1 1 1 1 1 1 1 1 3567 8493 1 32577 32071 1 1 1 1 1 1 47135 46612 26704 29473 52115 52367 15930 1 1 1 1 1 9290 1 21979 22814 1 1 1 5072 1 1 29128 3533 1 20333 36892 35533 1 1 1 1 1 1 16997 1 372.1952 *372.1954* 372.1954@0.98589146 1 1 1 1 1 1 1 1 59632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1954 *372.2134* 372.2134@1.0343264 1 1 1 1 1 1 1 1 1 1 2315 3070 1 1 1 1 1 1 3781 4173 1 1 5231 1 9479 8767 1 1 11571 12506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 372.2134 *372.2224* 372.2224@1.0670571 1 1 1 1 1 1 3513 1 2562 1 1 1 2624 3235 10799 9795 1 1943 2280 1 1 1 1 1 1 1 10484 1 1 1 1 1 1 1 1 1 6808 7688 1 1 7398 13989 1 1 1 1 1 1 1 1 6778 6922 1 1 1 3379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 1 1 1 6235 1 1 1 1 1 1 1 1 1 372.2224 *372.2252* 372.2252@1.0311868 1 1 1 1 1 1 1 1 1 1 1 1 4765 1 1 1 1 1 1 1 1 1 1 3989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2252 *372.2313* 3-ACETOXYPREGN-16-EN-12,20-DIONE 9204 6210 1 1 1 1 1 2681 1 1 2500 1 1 3032 3340 3855 2248 1 1 3315 1 1 1 3183 4689 3505 4084 4136 4430 5054 1 1 2459 1 1 1 4615 4315 3130 1 5630 5603 1 1 1 1 3804 4197 1 1 10335 5933 1 1 3250 1 1 1 2988 1 1 1 1 1 4505 5085 1 1 1 1 3139 1 1 1 1 1 2598 1 1 1 1 6688 2473 2238 1 1 1808 2851 1 1 372.2313 *372.2455* 372.2455@1.1162847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5231 2667 1 1 1 4488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2455 *372.2537* 372.2537@1.158174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2537 *372.2609* 372.2609@1.148976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9810 10683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2609 *372.272* 372.272@1.1485698 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3383 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.272 *372.2831* 372.2831@1.1521436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 1 1 1 1 1 372.2831 *372.2929* 372.2929@1.1576515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 3065 372.2929 *372.2976* 372.2976@1.1617746 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2976 *372.8713* 372.8713@1.1664522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 372.8713 *372.952* 372.952@1.1380755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3277 1 1 1 1 372.952 *373.0194* 373.0194@3.5043905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.0194 *373.0195* 373.0195@3.5398352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13990 40789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13774 9402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.0195 *373.0635* 373.0635@3.041205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6361 1 1 1 1 1 1 1 1 373.0635 *373.0705* 373.0705@2.9248219 1 1 1 1 1 1550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.0705 *373.0706* C13 H11 N9 O3 S 6830 8691 6858 7592 7774 5832 1 1 1 1 8851 8684 1 1 7242 6543 1 1 6969 8997 10616 11054 1 1 11622 6259 11140 11371 10657 10934 1 1 8478 9207 1 1 10753 10937 11655 12330 10996 10718 11893 6197 9329 11062 9086 9529 10472 10476 5956 1 10842 9994 11908 12277 10407 11466 11729 12209 6778 8999 10911 12301 8819 5392 7988 8394 11432 10751 12375 8356 8334 10988 1 1 8495 10039 9771 10812 9369 9322 1 1 7686 7422 9530 8815 9382 8906 373.0706 *373.1175* 373.1175@0.8413521 11627 12554 1 1 7555 7663 8900 7813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12863 13224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6572 5799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4588 5199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6241 6255 1 1 3456 1 18719 18196 1 1 21050 21128 1 1 3950 3687 373.1175 *373.1721* 373.1721@1.1326786 1 1 1 1 1 1 1 1 1 1 1 1 1 3361 1 1 9073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.1721 *373.175* 373.175@1.1309636 1 1 2360 1 3321 3560 4657 2624 3279 3178 2809 6252 3220 1770 2816 2667 1 6833 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 2322 5333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2587 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2887 2474 1 1 2112 2670 1 1 1 1 1 1 1 1 2028 2697 1715 2304 2342 2956 373.175 *373.1865* 373.1865@0.91382813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2751 9079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.1865 *373.1924* 373.1924@0.9924313 1 1 1 1 1 1 1 12316 1 1 1 1 1 1 1 1 1 1 1 1 7902 1 1 5189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17414 10124 2637 5122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.1924 *373.2079* 373.2079@1.015838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.2079 *373.2151* 373.2151@1.0582942 1 2558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 373.2151 *373.2264* 373.2264@1.0301515 24209 53478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 3217 1 1 3904 1 1 1 1 1 1 1 1 1 4716 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4155 1 1 1 1 1 1 1 1 1 373.2264 *373.3156* 373.3156@1.170311 1 1 1 1 1 1 1 1 1 1 1 1 1 3653 1 1 1 1 1 1 1 1 1 1 1 1 3051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2207 1 1 1 1 1 1 1 1 1 3028 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2918 1 1 1 1 1 1 1 373.3156 *373.3168* C17 H39 N7 O2 1 1 1 1 1 1 1 1 1 2129 9153 9491 3967 1 8746 8509 3836 3982 4036 4363 1 2627 7025 6409 3471 3586 1 2994 18503 18374 4779 5018 1 1 1 1 13583 13911 11255 11323 1 1 2987 2599 9149 9163 4179 4864 4127 4014 4183 4342 6937 7376 1 1 5686 4786 5781 5759 1 1 1 1 1 1 5043 5554 1 1 1 1 6422 6237 1 1 1 2560 7319 7657 1 1 1 3526 1 2078 4862 4460 1 1 373.3168 *373.9966* 373.9966@0.77742094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5928 5583 1 1 1 1 1 1 1 1 2244 5188 1 1 1 1 1 1 1 1 1 1 1 1 6592 6479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.9966 *373.9987* 373.9987@0.8004873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.9987 *374.0674* 374.0674@2.9836903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 1 1 1 1 1 1 1 1 1 5235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5210 1 1 1 1 1 1 1 1 1 1 1 1 1 9147 1 1 1 1 1 1 1 1 374.0674 *374.0676* C15 H18 O9 S 45794 42559 38153 36416 39444 39485 1 1 1 1 42877 44412 1 1 35820 29544 1 1 33518 34944 50896 50777 1 1 47387 42904 56425 59230 57666 56243 1 1 45568 46515 9750 7396 52973 54211 53917 56601 52039 52098 50333 52656 52587 50835 47490 48979 54742 50960 29637 31230 47074 51264 59984 60163 52144 55356 56644 54606 45009 48260 52953 53476 43362 39503 48526 43335 50715 52847 42199 41627 51282 50025 1 1 48616 47985 51567 49401 43441 38749 9081 14905 41184 36369 53549 50835 46858 48290 374.0676 *374.097* 374.097@2.0915194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 374.097 *374.1081* 374.1081@1.1029837 1 1 1 1 1 1 5297 1 1 1 1 1 1 1 1682 1 20440 20981 7388 1 1 1 1 1 3786 1 1 1 1 3620 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 3752 1 1 1 2437 2504 1 8546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.1081 *374.1091* 374.1091@1.0397358 2956 3385 4148 3780 9398 9015 3527 3956 1 1 3371 3483 4657 4380 3518 3191 3583 3605 9016 9291 11569 11950 3247 3623 3619 3515 3072 3310 3841 3855 12034 1 10239 10154 1 1 4275 1 5257 14474 6949 2977 13341 1 12703 12913 5225 4134 9788 9941 11936 11504 8606 11151 4200 3882 8571 10185 4212 4037 1 6266 3710 8110 13038 13305 5387 11851 11859 11413 12920 13113 11678 11944 13559 13687 3923 1 11198 10976 9808 4716 9910 8856 1 12017 14560 1 1 7441 374.1091 *374.1101* 374.1101@1.0994221 2012 1 8053 8934 1 1 1 1 1 1 1 1 3890 3181 1 1 1 1 1 9402 1 1 1 1 1 1 1 1 3452 1 1 1 9827 3997 1 1 1 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4164 11595 1 1 5204 1 1 3187 1 5654 5777 6177 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 374.1101 *374.1763* 374.1763@0.8983049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7353 9941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.1763 *374.1892* 374.1892@1.129595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.1892 *374.1922* 374.1922@0.9307664 1 1 1 1 1 1 4440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3571 7481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.1922 *374.2051* 374.2051@1.1182032 3694 1 1 1 1 1 1 1 1 1 1 1 1 1 2932 2398 1 5002 2830 1 1 1 2654 3409 1 3851 3256 3703 1 1 1 1 1 1 1 1 4692 3575 1 2207 4602 4649 1 1 1 2947 1 1 1 1 3841 3022 1 1 2966 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11309 8425 1 1 1 1 1 1 1 1 374.2051 *374.2127* 374.2127@1.1157525 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2440 1 1 1290 1 1 1 1 1 1 1 1 3433 4072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2127 *374.2201* 374.2201@1.1315625 1 1 1 1 1 1 2134 2080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 3697 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8955 7620 1 1 1 1 4696 6100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2201 *374.228* 374.228@1.0233904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.228 *374.2305* 374.2305@1.0716614 1 1 1 1 1 1 1 1 1 1 1 1 3569 1717 3104 1 1 1 2132 1 1 1 1 1 5008 7865 1 1 2345 2446 1 1 1 1 1 1 5251 2909 1 1 1 1 1 1 2550 3694 1 1 1 1 1 5263 1 1 3187 7455 1 1 1 1 1 1 1 1 7289 7821 1 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3354 1 1 1 1 2564 374.2305 *374.2338* 374.2338@1.0195669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8588 7094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2338 *374.2427* 374.2427@1.0962831 1 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2598 1 1 1 1 374.2427 *374.2604* 374.2604@1.0877228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2949 1 1 374.2604 *374.2649* 374.2649@1.0859287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12734 1 1 1 6472 1 1 1 1 1 1 1 1 5463 5316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1960 1 1 1 374.2649 *374.2765* 374.2765@1.0853741 1 1 1 1 5940 5995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55420 4807 4434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7164 7355 1 1 1 1 1 1 1 1 1 1 1 1 374.2765 *374.8726* 374.8726@1.1631997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 374.8726 *374.9462* C18 H N O7 S 1 1 5738 5465 7012 7073 1 1 6130 5961 7655 5381 1 1 7612 8938 3214 7199 8320 8014 6914 8150 1 7543 8807 1 6722 5406 6554 5585 7557 6147 1 1 1 6864 1 1 6844 8175 1 1 8364 7458 7341 7757 1 1 6538 7733 6448 1 1 1 6807 6639 7214 6382 1 1 1 1 1 1 1 1 1 1 8686 8472 6038 4967 6535 6159 6661 6267 7171 7054 1 1 1 1 1 1 1 1 1 1 7127 5305 374.9462 *375.0166* 375.0166@3.5344243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.0166 *375.0295* 375.0295@3.560522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.0295 *375.0868* 375.0868@1.129446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3059 2988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8714 8503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.0868 *375.2013* 375.2013@1.0674394 1 1 1 1 1 1 1 1 1 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.2013 *375.2023* C11 H30 Cl N7 O5 17211 15423 17255 16862 4414 4153 21968 23711 12075 11176 28216 27239 26265 29055 8832 9775 7005 6055 1 1 1 1 24111 23139 10466 10760 6707 6345 7356 6724 1 1 1 1 18071 17570 6631 7102 7579 6232 4502 3063 1 1 1 1 3914 3806 1 1 3575 2826 5041 5315 12576 12593 6480 6470 15942 1 1 1 1 1 2766 2328 2033 2418 1 1 1 1 1 1 1 1 3004 2906 1 1 2899 3013 2970 2986 1 1 1 1 1 1 375.2023 *375.8753* 375.8753@0.9960913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6960 6904 1 1 1 1 1 1 1 1 5103 1 6987 7701 1 1 8299 1 5305 5630 6856 6932 6569 2367 1 1 7651 7460 6882 1 1 1 1 1 5721 1 5615 5388 1 1 5070 5012 8259 7266 7338 7023 1 5976 5910 6754 1 4626 1 1 6206 1 5164 5354 5975 1 1 1 4901 1 375.8753 *376.0254* 376.0254@0.8128775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8624 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.0254 *376.0342* 376.0342@0.85261655 1 1 1 1 4059 4249 1 1 1 1 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11656 11748 1 1 4967 4962 1 1 1 1 1 1 1 1 1 1 1 1 3327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.0342 *376.056* 376.056@0.9374097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2948 3539 1 1 1 1 1 1 1 1 1 1 376.056 *376.1075* 376.1075@1.0342948 1755 3630 3700 4064 1 1 4575 3588 1 1 3798 3249 4431 3924 3594 3485 4251 4550 1 1 1 1 2910 3866 4611 4147 1 3581 4095 3635 1 1 1 1 1 2058 4250 4365 5672 1 1 2868 1 1 1 1 5256 1 1 1 1 1 5262 1 4642 3362 1 1 3479 3561 1 1 1 1 1 6437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4540 1 1 1 1 1 1 3731 1 376.1075 *376.1083* 376.1083@1.1042155 1 1989 1 1 1 1 1 2460 1 1 1 1 4194 5383 1 1 1 1 1 1 1 1 1 1 1 1 1608 1 3971 5437 1 1 1 4430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 2774 1 1 1 1 1 1 1 1 1 1 6812 6987 1 1 1 1 1 1 2109 2974 1 1 1 2759 1 1 1 1 1 1553 1 1 1 1 1 1 1 1 376.1083 *376.1089* 376.1089@1.6690631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5342 5153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1089 *376.1235* Asp Asn Glu 1 1 1 1 2507 2663 4413 4404 1 1 2372 3156 1 1 1 1 2388 2797 3711 3371 1 1 1 1 6375 7555 3131 2586 1 1 1 1 8908 9789 1985 1 3302 4235 3183 3625 1 1 1 1703 7193 6856 1 1 1 1 10306 10746 1 1 2016 1 4216 4802 1 1 1 1 1 1 15064 15148 10968 10939 1 1 5024 4648 2649 1 1 1 3650 3797 5417 5780 4698 5084 1 1 6364 6492 1 1 8038 8219 376.1235 *376.1527* 376.1527@1.9771338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1527 *376.1899* 376.1899@0.86175036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23375 23275 3260 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1899 *376.1913* 376.1913@1.1396435 1 1 1 1 1 1 1 1 4255 1 1 1 1 1 1 1 3713 1 8626 9676 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 7185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1913 *376.1973* 376.1973@1.1382968 1 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4052 2990 8953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1973 *376.2046* 376.2046@1.0711014 8532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7161 8590 21512 24320 6385 1 1 1 1 10344 5313 4566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2046 *376.207* 376.207@1.0507561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.207 *376.213* 376.213@1.0910717 1 1 1 1 4356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 2842 3796 3802 1 5528 1 1 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11646 5392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4435 1 2899 1 1 1 1 376.213 *376.2194* C20 H37 Cl O2 S 16583 16250 1 1 1 5571 1 1 1 1 1 1 1 1 6373 7212 1 4464 1 1 1 1 1 1 8744 7352 9010 8765 8707 8774 1 1 1 1 1 1 12186 12089 6619 6017 1 14433 3729 1 1 3198 8142 7202 2749 3108 1 1 4742 4767 8556 8253 1 1 1 1 1 1 1 1 4226 1 1 1 2701 3390 3147 3408 3730 1 3267 1 4019 4213 3421 4399 1 13828 4666 1 3520 3450 2698 1 2413 1 376.2194 *376.2224* 376.2224@1.054112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4836 1 1 3762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13512 1 1 3816 3009 1 1 5232 1 1 16862 9617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3330 1 2685 1 1 1 1 13897 1 2347 1 1 1 1 3392 1 2058 376.2224 *376.2278* 376.2278@1.0775361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 7717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2278 *376.2355* 376.2355@1.1426963 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1 1 1 2019 1 6881 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1 1 1 376.2355 *376.2466* 376.2466@1.1433537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1 1 1 1 1 6989 1 1 1 1 1 1 5040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2930 1 1 1 1 1 5137 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2466 *376.2651* 376.2651@1.1256143 1 1 1 1 1 1 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3767 1 1 1 1 1 1 1 1 1 1 1 1 100312 99229 1 1 1 1 1 1 1 1 1959 1 1 1 1 1 1 1 1 1 1 1 2983 2303 1 1 376.2651 *376.2782* C24 H40 O S 50891 59336 62561 63523 31441 47036 86557 88875 82845 80163 68383 61626 58701 63938 79573 78840 50466 47580 78593 81673 65352 62488 105679 107771 1 90201 65055 71547 86303 83879 49972 63462 75070 44543 52883 53005 41027 59569 69936 73903 68627 68706 43847 35610 66404 56235 64289 58551 69841 70644 97687 109175 78102 67018 64865 67626 61417 72074 72660 71471 61828 58843 41882 44252 1 1 61482 63189 62590 46160 63573 87179 48373 47471 66839 70716 38870 41444 67302 81098 73443 67805 53603 53375 64744 65514 102785 100268 54725 65391 376.2782 *376.8881* 376.8881@1.1075385 50544 50777 1 1 1 1 1 1 1 1 27887 28432 1 1 1 1 1 1 1 1 114668 115244 45261 45513 62729 65983 1 1 1 1 2151 10124 26433 23125 17891 16616 13888 15792 1 1 1 1 1 1 1 1 1 1 1 1 109610 106748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7956 24005 1 1 1 1 1 1 1 1 4137 3773 1 1 1 1 4808 4834 38450 39284 1 1 1 1 376.8881 *376.981* 376.981@0.8840529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3675 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.981 *377.0243* 377.0243@0.8503899 1 1 1 1 4716 4723 1 1 11219 10234 1 1 1 1 1 1 1 1 10077 10160 1 1 1 3958 1 1 1 1 1 1 4082 4097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5557 6140 7650 7136 1 1 1 1 1 1 1 1 1 1 1 1 3433 1 1 1 377.0243 *377.1025* 377.1025@1.3348771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6249 6200 1 1 1 1 1 1 1 1 1 1 1 1 4506 4272 1 1 1 1 1 1 5542 4872 1 1 1 1 1 1 1 1 1 1 30622 29660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3468 4905 1 1 1 1 1 1 1 1 1 1 377.1025 *377.1031* 377.1031@1.2050685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4843 4913 1 1 5569 5216 1 1 1 1 1 1 1 1 1 1 3246 3213 4838 5429 1679 1 1 1 1 1 7943 7957 1 1 1 1 1 1 1 1 1 1 23388 24888 1 1 1 1 2985 2635 1 1 1 1 1 1 1 1 6534 6549 3193 3190 1 1 1 1 1636 1981 1 1 377.1031 *377.131* 377.131@3.0056574 1 1 1 1 1 1 4913 5203 1 1 8026 7507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8633 9091 1 1 1 1 1 1 1 1 1 1 1 1 4383 4293 1 1 6038 5314 1 1 1 1 377.131 *377.1349* 377.1349@5.298434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13319 12761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.1349 *377.1352* 377.1352@5.2306824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6818 7526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.1352 *377.2246* 377.2246@1.1384361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2246 *377.2808* 377.2808@1.0860404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2808 *377.8709* 377.8709@0.9968278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 1 1 1 1 1 1 1 1 1 1 1 1 3496 1 1 1 1 1 2892 1 1 1 1 1 3035 1 1 1 1 1 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.8709 *378.0016* 378.0016@1.2085923 2082 2205 1 1 2304 2423 1 1 1 1 1 1 1 1 3174 3388 1 1 4152 5677 3891 6659 1 1 3711 3355 3522 3873 2881 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 2418 2461 2477 2056 1 1 1 1 1690 1812 1 1 1 1 1 2022 7237 7492 1573 2061 378.0016 *378.0434* 378.0434@0.8148402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5495 1 1 1 1 378.0434 *378.1611* 378.1611@1.0470759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16812 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17521 1 1 1 1 1 1 1 1 1 1 9326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 378.1611 *378.1691* 378.1691@1.6381959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5648 5327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1691 *378.1705* 378.1705@1.0173813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1705 *378.1705* 378.1705@1.9756207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18375 20406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1705 *378.1722* 378.1722@1.2822902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4649 3638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1722 *378.1785* 378.1785@1.193662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1785 *378.202* 378.202@2.7960773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 378.202 *378.2049* 378.2049@0.8588655 1 1 1 1 1 1 1 1 1 1 4226 10025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12107 12524 1 1 3428 1 1 1 1 1 1 1 8393 7762 1 1 6522 6737 1 1 1 1 3207 1 1 1 1 1 9044 10099 1 1 3045 2965 7981 7958 118333 113866 28472 27605 10750 11238 1 1 2908 2973 1 1 1 1 1 1 1 1 9377 9091 1 1 1 1 1 1 378.2049 *378.2099* 378.2099@1.1347014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2099 *378.2149* 378.2149@3.8541255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4602 4927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2149 *378.2225* 378.2225@1.0394726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2225 *378.2329* 378.2329@1.0735502 7803 4377 1 1 1 1 2446 1 1 1 4498 3466 1 1 1 1 1 1 1 1 1 1 1 4696 1 1 1 1 1 6169 1 1 1 1 1 1 1 1 1 1 1 6015 1 1 1 1 4924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2329 *378.2362* C24 H30 N2 O2 5967 6016 1 1 4281 1 1 1 8053 1 3795 4681 1 4475 1 4938 4659 5692 14942 1 1 1 4966 5673 1 1 3826 5280 1 16273 1 1 9955 8836 3073 1 9819 4469 4670 9230 5880 3536 1 6913 1 4846 14437 5541 1 1 1 6700 1 1 4872 2988 4922 4954 1 1 1 1 1 1 13577 1 1 6210 2549 2553 3332 1 2314 1 1 1 2455 1 4425 3545 3297 1 3102 2105 3794 5244 4202 3356 1 1 378.2362 *378.2388* 378.2388@1.1076111 1 1 1 1 1 1 1 1 3176 1 1 1 1 1 3750 11008 1 4863 6394 1 1 4655 1 1 1 5146 4968 19800 5563 1 7416 4384 4968 4697 1 3724 1 1 6714 1 2718 1 10849 1 1 4734 1 1 1 1 22835 13753 1 1 1 1 3816 1 1 1 1868 4126 1 1 1 1 5834 1 2733 4148 1 3193 1 1 1 1 1 7326 10761 4720 1 1 3902 4267 13543 6340 1 1 8255 1 378.2388 *378.2393* 378.2393@1.0547868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3771 1 1 1 1 1 1 1 1 1 1 4145 1 1 1 1 3168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2983 1 1 1 1 1 1 1 1 1 5368 1 1 378.2393 *378.262* 378.262@1.1449645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.262 *378.2655* 378.2655@1.2003468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 6713 4041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2655 *378.2749* 378.2749@1.135427 1 1 1 1 19267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11080 1 1 1 28461 1 1 1 1 1 1 1 1 75846 6961 1 19308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2803 1 1 23463 1 1 1 58469 59715 26174 36601 1 1 1 1 1 1 1 1 1 1 1 1 378.2749 *378.2893* 378.2893@1.9804194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1542 378.2893 *378.2947* 378.2947@1.974824 1 1 1 1 1 1 9999 9159 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3467 3028 1 1 1 1 2946 2556 1 1 1 1 1 1 2257 1737 1 1 1 1 1 1 1 1 1 1 1 1 3407 3232 1 1 1 1 2980 3680 1 1 1874 1 378.2947 *378.8864* 378.8864@1.1094244 1 1 1 1 2484 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15882 1 1 1 1 1 1 1 1 1 6745 5025 1 1 1 1 8340 8124 1 1 1 1 1 1 378.8864 *379.0369* 379.0369@0.76193446 1 1 1 1 1 1 7484 8632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3289 3602 5963 5976 2974 3241 6441 7029 2750 3067 10932 11128 1 1 1 1 3698 3775 3414 2832 1 1 1 1 1 12391 1 2299 4712 4657 1 1 1 1 1 1 1 1 1 1 7468 6593 1 1 1 1 1 1 1 1 1 1 3723 4833 5254 4982 1 1 1 1 1 1 6504 6405 379.0369 *379.0495* 379.0495@1.1504483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.0495 *379.0695* 379.0695@2.440939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 6276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.0695 *379.1049* 379.1049@0.7389168 1 3883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6066 5709 4614 5468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4400 3550 5869 1 1 1 1 1 379.1049 *379.1318* 379.1318@2.0535476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7100 6889 1 1 1 1 1 1 1 1 5943 5885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5032 4481 1 1 1 1 1 1 3975 3771 1 1 3997 3461 1 3151 1 1 1 1 1 1 1 1 1 1 1 1 3338 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 3664 1 1 379.1318 *379.1743* 379.1743@1.0825677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3028 3159 1 1 379.1743 *379.1932* 379.1932@1.05544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.1932 *379.2331* 379.2331@1.0423543 1 3245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2331 *379.2461* 379.2461@1.1605415 1 1 1 1 1 1 5861 5715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2461 *379.2635* 379.2635@1.0819298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2635 *379.2707* 379.2707@1.0865499 1 1 1 1 1 1 1 1 1 1 1 2761 1 1 1 1 1 1 2029 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6201 3612 1 5194 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 5221 1 1 1 1 1 379.2707 *380.0541* 380.0541@1.2446165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12448 9801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.0541 *380.0552* 380.0552@1.1510308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26481 26960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.0552 *380.0966* 380.0966@3.0382123 1 1 1 1 1 1 9883 10102 1 1 9174 8917 7755 6716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9750 10070 1 1 1 1 1 1 1 1 1 1 9239 7989 1 1 1 1 1 1 13246 12888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10114 10675 1 1 1 1 1 1 1 1 1 1 1 1 19549 19769 1 1 1 1 1 1 1 1 380.0966 *380.1238* 380.1238@0.7201682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 5122 1 1 1 1 1 1 1 1 1 1 1 1 5523 4745 1 1 1 1 380.1238 *380.1295* 380.1295@2.05338 4857 4678 1 3327 3653 4121 1 1 1 1 4125 4298 6737 6942 16071 1 1 1 1 5653 1 1 5265 4420 1 1 3809 1 5696 1 3501 3932 1 1 1 1 7488 7816 5228 5060 11238 12170 1 1 1 1 5515 1 8618 1 7719 1 1 8379 6744 1 6197 5900 5942 5699 1 1 1 5756 1 1 1 1 7210 7382 4887 1 1 1 5964 6617 1 1 1 3644 6369 1 1 1 1 3890 8829 1 1 1 380.1295 *380.1674* Asn Thr Phe 17076 16597 10352 11047 18773 18852 14108 12938 7266 7918 14229 14445 17820 17524 10839 10235 14185 13490 20394 1 22360 23076 19280 19299 14675 13578 13037 13645 19615 19607 32503 46775 16114 21268 6778 6504 17123 18227 1 22335 12084 12018 13661 13267 15975 15443 14758 14218 10493 1 19183 19817 32280 22205 10412 10029 13276 13329 14232 32568 7493 6588 1 1 17919 21228 10889 10483 6797 6792 11164 21019 9272 9226 12259 12928 9046 9177 13408 34479 11173 11005 6800 6697 17132 16754 21523 22360 6008 6638 380.1674 *380.2011* 380.2011@1.2054286 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2011 *380.2019* 380.2019@0.8622831 1 1 1 1 1 1 1 1 1 1 4118 1 1 1 1 1 1 1 1 1 1 1 2637 1 1 1 1 1 1 1 1 1 5237 6315 1 1 4620 4367 1 1 1 1 1 1 1 1 1 1 1 1 3473 1 1 1 3634 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8165 6183 1 1 1 1 1 1 1 1 1 1 380.2019 *380.2179* 380.2179@1.1292316 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2179 *380.218* 380.218@0.8601866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6744 6726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.218 *380.2187* 380.2187@2.7976122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2396 1985 1 1 1 1 380.2187 *380.2255* 380.2255@1.1320304 1 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2255 *380.236* 380.236@1.1308423 1 1 1 1 1 1 1 1 1 1 1 1 4550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4493 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 380.236 *380.2402* 380.2402@1.1304908 1 5740 1 1 1 1 1 1 1 1 1 1 1 10010 1 1 2362 1 1 1 3769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2902 1 1 1 1 1 5850 5549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6528 1 1 380.2402 *380.2522* C18 H32 N6 O3 1 1 1 1 4916 5826 13838 6587 1 6908 13863 6580 1 1 6983 1 1 1 1 1 1 4953 15331 6106 5729 10490 1 1 10044 1 1 14195 1 1 1 1 1 1 15265 1 5253 12904 1 1 5619 8218 1 5669 9645 5478 1 1 1 1 10400 4959 1 8351 1 1 6111 8133 9195 7935 33217 1 1 1 1 1 1 1 1 5239 12667 9242 1 1 1 1 13994 5401 6927 7494 1 17171 1 1 1 6024 380.2522 *380.2526* 380.2526@1.9798152 3572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2526 *380.2551* 380.2551@1.1275175 6603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21038 1 1 1 1 1 1 1 1 57346 8810 9713 19870 8909 1 1 1 1 1 1 14714 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2551 *380.2566* 20-ethyl-PGE2 1 3981 3910 3632 4372 4612 9168 8390 4376 4424 5644 5285 2106 1 1 2309 2972 2317 3808 3917 3963 4805 1 1 2910 2157 3594 2873 2160 2732 4280 3987 4648 4369 1 1 3800 3621 3918 4232 2372 1 3838 4926 5379 5340 4448 4565 4094 3852 7741 7235 2887 2355 4716 4672 7725 8253 6672 6872 4855 5298 4144 5046 5341 5848 3321 3399 4556 6347 1580 1 2583 1870 2757 2578 5980 5359 6859 6673 4307 4979 7113 6755 8076 8400 1 1 7101 7579 380.2566 *380.2728* 380.2728@1.0959908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10151 1 1 1 380.2728 *380.2806* 380.2806@1.080743 1 1 4764 3466 1 6765 5104 5191 1 1 1 8600 5284 4883 1 1 1 1 5402 5513 7257 8041 1 1 1 1 7016 1 1 1 11409 1 1 1 1 1 1 1 1 1 7836 6073 4749 1 1 1 1 7661 1 1 9250 1 1 1 8707 7441 1 1 1 1 1 1 1 1 19772 26189 1 1 1 1 1 1 1 1 1 1 1 1 9972 1 1 1 1 1 1 9840 1 7469 7532 1 380.2806 *380.2858* 380.2858@1.0809573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7917 1 1 1 1 1 1 1 1 1 1 1 13181 1 1 1 1 1 1 1 1 1 1 10659 1 1 1 1 1 1 1 1 1 13515 11075 1 10827 1 1 1 1 1 1 10078 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2858 *380.9575* 380.9575@1.5457416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4843 4508 7299 1 1 1 1 1 1 1 1 1 1 8914 10908 7622 5547 1 1 1 1 1 1 1 1 9382 1 1 1 1 1 1 1 1 1 1 1 1 1 4225 7773 1 1 1 1 1 1 9814 9083 1 1 1 1 1 1 1 1 1 1 380.9575 *381.0261* 381.0261@1.151144 5092 5498 1 1 1 1 1 1 1 1 4641 4767 1 1 1 1 1 1 13929 12586 3396 2971 12111 12373 1 1 1 1 3704 3885 1 1 4875 3260 1 1 1 1 1 1 1 1 1 1 1 7286 1 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2308 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.0261 *381.0269* 381.0269@1.2706498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5320 5312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.0269 *381.0311* 381.0311@1.1933748 1 1 1 1 1 1 1343 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5958 5958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6696 1 3134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5369 4152 1 1 1 1 1 1 1 1 1 1 381.0311 *381.0499* 381.0499@1.2828286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.0499 *381.0506* 381.0506@1.0755485 1 1 1 1 12711 11872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 5627 1 1 1 1 1 1 1 1 1 1 14948 13642 1 1 1 1 8395 8371 1 1 1 5037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8336 6879 1 1 1 1 7328 11215 1 1 1 1 1 1 1 1 40020 11553 1 1 1 1 1 1 1 1 1 1 381.0506 *381.0507* 381.0507@0.87879556 1 1 1 1 3972 3760 1 1 1 1 1 1 1 5310 1 1 1 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3353 3979 9527 10263 1 1 1 1 1 1 1 1 11418 12489 2224 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4045 4344 1 1 1 1 1 1 1 1 1 1 3143 2428 1 1 14395 14007 4664 4906 2675 2683 1 1 1 1 5463 5841 381.0507 *381.1673* 381.1673@1.0475218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.1673 *381.1807* 381.1807@0.720163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3634 3561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.1807 *381.2752* 381.2752@1.0967195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2752 *381.8496* C10 H3 Cl O6 S4 13634 13650 6254 6787 8299 11679 7006 8677 6989 7027 10800 11307 7551 7235 8062 8206 7772 9741 11876 11005 9973 7381 7420 7001 11903 11856 8253 8184 7974 8311 8494 8519 9056 8575 9104 13076 9794 6905 11399 11403 7867 7808 7437 6834 6825 9185 6695 6848 6522 6131 6897 9369 7484 7681 6171 6341 7243 7064 8466 8650 13252 9716 13548 13619 7703 10562 7491 7368 6275 6478 13619 13546 7116 6955 6766 10587 7100 9847 12066 11614 7748 7865 11960 12357 7651 11264 12121 11123 8846 8137 381.8496 *381.981* 381.981@0.6967008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4675 4428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.981 *381.9981* 381.9981@0.7188659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5570 3581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.9981 *382.0079* 382.0079@0.7294062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0079 *382.0341* 382.0341@0.7606217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6005 5165 1 1 1 1 1 1 1 1 1 1 5130 5098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22668 21525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0341 *382.0557* 382.0557@1.1812017 1 1 1 1 1 1 8792 7540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3448 3927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3967 5175 1 1 1 1 382.0557 *382.0809* 382.0809@1.9558287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5372 1 1 1 1 7952 8608 5472 5424 6266 7340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7683 1 1 1 1 1 1 1 1 1 1 1 1 2961 1821 7303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8757 11348 8560 1 1 1 1 4016 4441 4313 1 382.0809 *382.0812* 382.0812@0.8470344 1 1 1 1 1 1 7117 6954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0812 *382.0814* 382.0814@1.7791176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 3088 4172 4714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2762 3053 1 1 1 1 1 1 1 1 382.0814 *382.0815* 382.0815@1.6768692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4111 3668 5248 5182 6972 6437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4816 1 1 1 1 1 1 1 1 1 1 1 1 9799 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3975 1 12970 12095 1 1 1 1 5029 1 1 1 382.0815 *382.0822* 382.0822@1.8482049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4130 1 3958 1 5932 4515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6136 1 1 1 1 1 1 1 1 1 382.0822 *382.0826* 382.0826@1.8058491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 1 1 1 382.0826 *382.089* 382.089@1.6290432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4702 4486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6924 6468 1 1 1 1 1 1 382.089 *382.0993* 382.0993@1.6262759 11477 11807 1 1 1 1 1 1 1 1 10200 10227 1 1 1 1 1 1 1 4073 8362 7319 1 1 1 1 1 1 1 1 1 1 1 1 12817 12519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32981 34049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15853 14571 382.0993 *382.1015* 382.1015@4.7421255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5854 6645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1015 *382.1042* 382.1042@0.8070359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6288 6648 1 1 1 1 1 1 382.1042 *382.1199* 382.1199@1.5510286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1199 *382.1452* 382.1452@0.9033859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4618 3920 1 1 1 1 1 1 1 1 1 1 382.1452 *382.1608* 382.1608@3.0825095 1 1 1 1 1 1 1 1 1 1 1 1 19037 17165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1608 *382.1778* 382.1778@0.7280435 14119 12696 1 1 1 1 1 1 1 1 1 1 1 1 7641 9068 1 1 7646 8397 1 1 1 1 10657 11005 18305 20776 17447 17074 1 1 1 1 1 1 5726 8986 1 1 12203 10433 1 1 1 1 1 1 1 1 16880 18016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9664 9973 1 1 1 1 1 1 1 1 382.1778 *382.1791* C23 H27 Cl N2 O 24687 23281 17066 19605 30178 27578 28813 28858 11731 12609 25481 25267 24334 25420 20059 20398 17859 17941 30544 35441 38613 40047 30443 28420 19642 20621 18226 1 44313 39887 1 1 23464 1 9915 9066 18483 19707 35647 39535 1 1 26894 28832 24786 23472 22737 20971 10526 10174 31017 27632 1 1 1 1 16411 18050 22846 1 5105 1 1 1 1 1 13796 13563 13046 11153 13768 1 12071 11567 13525 14907 13383 15428 19265 1 1 1 7741 8407 14926 29153 38090 39588 10269 10771 382.1791 *382.1859* 382.1859@1.0425673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14914 12738 1 1 1 1 1 3518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1859 *382.1951* 382.1951@1.0931174 1 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11840 13442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1951 *382.198* 382.198@1.9869071 1 6180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.198 *382.2056* 382.2056@1.1194098 4615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9116 1 1 1 1 1 1 1 1 382.2056 *382.2329* 382.2329@1.1839755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2329 *382.237* 382.237@0.8318471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88127 89516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.237 *382.2432* 382.2432@1.130106 1 11475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9766 6962 1 1 382.2432 *382.2501* 382.2501@1.1350489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5642 1 1 1 1 1 1 1 1 1 1 1 1 5593 4916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4297 1 1 1 1 1 1 1 4531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12272 1 1 1 1 1 1 1 1 382.2501 *382.2597* C23 H39 Cl O2 1 1 1 1 3644 9046 1 1 7059 9505 1 8113 1 1 9786 4324 1 1 1 1 5012 1 1 7299 4847 10777 1 1 19766 21081 6337 1 1 1 1 1 5049 1 1 6702 11463 1 1 1 9444 1 1 10001 1 1 1 6770 7433 6731 1 9693 1 1 5877 1 1 1 1 1 1 1 1 1 1 1 1 6314 6205 5434 1 1 1 1 8044 1 1 1 8746 8641 8413 1 1 1 7471 1 382.2597 *382.2606* 382.2606@1.1021929 1 1 1 1 2603 1 1 1 1 1 1 1 1 1 1 3625 1 1 1 1 1 1 1 1 3012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2606 *382.2664* 382.2664@1.1190255 1 1 1 1 1 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37416 1 1 1 1 1 1 1 1 1 1 1 1 8955 1 1 1 4861 3592 1 1 1 1 1 1 10333 1 4294 17450 15735 1 1 1 1 13091 14195 1 10197 1 1 1 1 1 1 7983 8700 1 1 1 1 1 1 1 1 1 1 1 6098 382.2664 *382.2938* 382.2938@1.0643415 1 1 8372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3427 1 1 1 46041 1 1 3554 2759 1 1 1 1 1 1 1 1 1 1 1 1 14776 1 1 1 1 1 1 1 1 1 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6263 1 1 1 1 1 1 1 1 1 1 3349 2915 1 1 382.2938 *382.303* C24 H43 Cl O 1 1 1 1 3089 1 1 1 2742 2939 10830 19642 1 1 3166 3602 1 1 1 5764 3076 1 1 1 3276 1 1 1 6995 5602 3595 4314 2876 2704 1 1 1 1 13645 1 5649 1 1 1 6052 4923 2400 3006 1 1 2749 1 1 2288 1 1 5450 1 2429 6118 3316 3665 1 1 3784 5286 4632 3642 5532 5497 3724 37104 1 1 1 1 3611 4302 6149 3420 1 1 1 1 2600 1 1 1 10174 2838 382.303 *382.9665* 382.9665@1.1672721 1 1 1 1 1 1 1 1 1 1 1 1 1640 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.9665 *382.9906* 382.9906@1.8711184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4049 5938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.9906 *382.9913* 382.9913@1.9448286 1 1 1 1 4155 4327 1 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5687 6504 1 1 1 1 1 1 1 1 5496 6588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7360 5960 1 1 4902 4593 1 1 1 1 1 1 1 1 1 1 1 1 9932 9426 1 1 1 1 382.9913 *383.0132* 383.0132@0.8530345 1 1 1 1 1 1 20295 17742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.0132 *383.183* 383.183@1.0363744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 2852 1 1 1 1 1 1 3585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.183 *383.1945* 383.1945@1.0404007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3166 1 1 1 1 1 1 1 1 383.1945 *383.8484* C10 H5 Cl O4 S5 1 1 2085 2184 2566 1 1989 1 2026 2148 3159 3235 1902 2182 2565 2278 2445 1 1 1 1 2139 2154 2345 1 1 2586 2454 2401 2256 2419 2661 2387 2579 2813 1 1 2323 1 1 2398 2221 1 2296 2108 1 2111 1 1 1 2244 1 2354 2296 1 1 2210 2324 2368 2414 1 2796 1 1 1 1 2116 1 1 1 1 1 2073 2184 2325 1 2059 1 1 1 2462 2467 1 1 2579 1 1 1 2596 2498 383.8484 *383.9936* C11 H16 N2 O5 S4 1 1 6190 6616 3246 1 4024 4921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10191 10464 9681 9542 7322 7053 6580 7046 4223 4379 16682 17314 1 1 7701 7581 8489 9244 1 1 3846 3787 1 1 10596 10681 9851 11825 11300 10917 1 1 4887 5439 1 1 11726 10633 1 1 7510 7967 1 1 1 1 1 1 6678 5712 1 1 4533 1 9268 8942 4210 3161 1 1 10388 9979 4249 4399 383.9936 *384.0193* 384.0193@2.1678395 1 1 1 1 1 1 1 3122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6562 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12353 1 5148 6360 1 1 1 1 1 1 1 6952 384.0193 *384.0197* 384.0197@2.1731715 1 1 1 1 1 1 13793 7192 1 1 1 1 1 1 1 1 1 1 6634 6197 1 1 1 1 1 1 1 1 1 1 1 6273 8824 9340 1 1 1 1 1 1 1 1 1 1 1 6011 1 1 1 1 7764 6864 1 1 1 1 7728 7901 1 1 1 1 1 1 1 1 6225 1 1 1 1 5790 1 1 1 1 1 1 1 12797 1 1 1 1 9486 9629 1 1 4283 1 384.0197 *384.0459* 384.0459@0.8132075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.0459 *384.0711* C10 H12 N10 O5 S 17047 13940 1 1 13279 14466 1 1 1 1 1 1 1 1 1 1 1 1 19107 23567 19967 17404 1 1 11689 12314 17522 17815 30804 29639 1 1 21431 23104 1 1 17755 16810 17323 17041 15361 17450 1 1 18534 29968 1 1 1 1 1 1 1 1 13653 12086 35807 16264 24488 28365 1 1 13401 13782 25474 1 1 1 16921 14748 24695 25953 11074 12443 1 1 1 1 15563 19236 23405 14421 1 1 107504 131218 20836 19999 1 1 384.0711 *384.0713* 384.0713@2.6801243 30815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90245 85997 19893 27163 1 1 1 1 59740 56876 1 1 1 1 1 1 1 1 51098 52833 53259 53113 1 1 1 1 12293 1 1 1 1 1 1 1 1 1 1 1 1 23772 1 1 1 1 1 1 22073 1 55488 60391 1 1 75518 68282 1 1 1 1 1 1 46443 52992 57796 54114 1 1 1 1 42470 35841 1 1 384.0713 *384.0714* 384.0714@2.8489175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13577 15036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.0714 *384.1277* 384.1277@5.8237343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1277 *384.1594* 19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate 22456 23858 12553 12712 73153 75791 16948 15619 65287 68282 113219 129345 9656 8929 47184 42224 64290 72609 27414 26005 21894 21642 51476 54050 14828 14478 21527 20871 131518 130148 18263 18622 120588 160328 9669 10836 96008 94517 11112 11333 39721 40361 21580 21495 15625 16175 32016 31690 11497 11371 67553 64904 28005 28387 17825 16653 174837 177303 22321 22826 23586 23816 6298 5821 15372 14238 51932 52765 19653 20545 44015 43400 20646 21108 14948 14477 20373 21307 122926 125961 208824 208769 59037 58468 43482 44418 9654 8953 30895 30302 384.1594 *384.1597* 384.1597@0.9192369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1597 *384.1638* 384.1638@1.0571215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18454 18069 1 1 11245 12382 1 1 9425 6596 1 1 1 1 1 1 1 1 12460 15158 1 5061 1 1 10557 11952 1 1 1 1 1 1 7888 4528 1 1 1 1 10179 10324 1 1 1 1 1 1 32176 33565 1 3240 13290 13455 15359 1 1 1 1 1 384.1638 *384.1704* 384.1704@1.0512685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8675 5299 1 1 1 1 1 1 1 1 384.1704 *384.1814* 384.1814@1.0603905 1 1 1 1 1 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5080 4648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1814 *384.1838* 384.1838@1.0294706 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 2813 1 1 1 1 1 1 1 1 2227 1 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1838 *384.1976* 384.1976@6.0688014 1 1 1 1 1 1 1 1 1 1 1 1 22742 22179 1 1 5773 5915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1976 *384.2169* 384.2169@0.8808894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2169 *384.2247* 384.2247@1.0232888 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2247 *384.2409* 384.2409@1.1366504 8213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2409 *384.2529* 384.2529@1.1340467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3495 1 1 1 1 1 1 1 5036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2529 *384.2607* 384.2607@1.1336029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4617 5079 1 2971 1 1 1 1 1 1 1 1 1 2200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 1 1 1 1 1 1 3341 1 1 1 1 1 384.2607 *384.2677* 384.2677@1.1397214 1 1 1 1 1 1 1 1 1 1 1 4342 1 1 1 3573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 16492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2677 *384.2742* 384.2742@1.1185113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 3055 4568 4297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 6099 1 1 1 1 1 1 8690 7675 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 5099 3854 1 1 1 1 7418 3509 384.2742 *384.2768* 384.2768@1.094708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2768 *384.284* 384.284@1.1054751 1 1 1 1 1 1 1 1 5861 6227 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4686 1 3912 1 1 1 1 1 1 1 1 1 1 1 8241 8725 1 1 1 1 4464 1 1 1 1 1 8735 1 16200 1 1 1 1 1 1 1 8589 11689 8258 8378 1 1 1 1 1 1 1 5504 1 3009 1 1 1 1 1 1 1 1 1 1 384.284 *384.3006* 384.3006@1.0680231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64061 1 1 1 1 384.3006 *384.3073* 384.3073@1.0524138 1 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 4734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.3073 *384.3234* 384.3234@1.0514007 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 4166 1 1 2613 2830 1 1 1 1 1 1 1 1 1 1 1 4151 1 1 1 1 1 1 1 1 3381 1 1 1 1 1 1 1 1 1 1 1 1 2696 6506 3774 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 2574 4526 1 1 384.3234 *384.3263* 384.3263@1.0493256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.3263 *384.3352* 384.3352@1.0459528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4376 4473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.3352 *384.9633* 384.9633@1.1662698 1 1 1 1 1 1 1 1 1 1 1 1 1694 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.9633 *384.9974* C19 H3 N3 O7 8201 8200 6982 7866 6831 6836 7075 7143 5342 6081 6952 6740 7195 7516 7993 7105 6808 6620 7921 7510 8830 9606 6008 5845 7906 8520 8036 7259 1 1 6558 6789 6300 6004 1 6292 7906 7028 7340 6825 1 5538 9983 9051 5916 6864 1 1 6612 5162 1 4824 7355 7290 8281 6740 5941 6972 8198 7849 1 1 4854 5947 6112 6323 1 1 7222 7255 8054 7978 6005 7032 6795 6615 9212 8915 6052 5383 7163 6968 9869 9434 7905 7813 1 5234 1 1 384.9974 *384.9983* 384.9983@1.6104724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.9983 *385.0679* 385.0679@1.9532166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2858 3089 1 1 1 1 1 1 1 1 1 1 385.0679 *385.0701* C21 H11 N3 O5 1 1 1 1 1 3829 4360 5740 5543 1 1 1 5805 2661 1 1 1 1 6196 6067 1 6124 6252 5392 5607 1 5300 5821 5947 6072 7728 6358 6727 4667 7283 6691 6779 4307 1 4845 5196 8061 6455 7124 5840 1 9360 6779 8354 1 7804 9885 6578 7582 7203 7062 8231 8353 7903 3437 5942 6711 5088 8653 5318 1 8862 8920 2616 4303 10901 12389 7912 8056 5904 8970 6788 6477 6719 9866 6867 8778 8766 1 8491 7466 8878 9310 10147 9078 385.0701 *385.0702* 385.0702@1.5468807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3040 1 1 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4157 1 1 1 1 1 1 1 1 1 4680 1 1 1 1 2919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.0702 *385.0751* 385.0751@2.7480788 1 7682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6464 1 1 1 1 1 1 1 1 1 1 1 1 1 5437 1 7055 1 1 11211 1 1 1 1 1 385.0751 *385.1244* 385.1244@2.6650345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5778 3322 1 1 1 1 385.1244 *385.1361* 385.1361@2.7956197 1 1 5385 5283 1 1 1 1 1 1 1 1 1 1 1 4075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6001 6324 1 1 1 1 1 1 1 1 5607 5620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5021 5783 4075 3900 1 1 1 6826 1 1 1 1 5149 5672 385.1361 *385.2261* 385.2261@1.030976 6687 6762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 3153 1 1 1 1 1871 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.2261 *385.234* 385.234@1.027881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 2548 1 1 3403 3638 1 1 1 1612 2807 2763 3418 4036 1 1 3118 2892 1 1 1 1 1 1 1 1 2714 2269 1637 1 3610 2472 1 1 1754 1730 1740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.234 *385.256* 385.256@1.1434411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.256 *385.9406* 385.9406@5.4452353 1 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.9406 *385.9417* C12 H2 O15 64232 64417 65746 64016 69519 67788 74353 74300 71986 73231 63975 63718 72092 70497 76754 75329 73840 74989 89221 88430 74716 74134 72129 73444 87561 86754 74006 72869 71990 71674 68747 68337 72898 73457 72942 74796 67010 73279 72390 72545 78923 75561 67835 68102 75002 75258 72639 72222 78241 76374 78334 81545 81383 79650 73530 72239 71914 72869 71579 71988 68293 68449 75359 74740 76031 76743 84130 84219 81750 81087 91706 93286 69816 70440 72583 74504 73024 74367 74338 76425 80835 80998 76494 79202 80902 79075 88565 87525 71847 71375 385.9417 *386.037* 386.037@1.4010768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5308 9483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.037 *386.1495* 386.1495@2.145546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14438 15525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1495 *386.168* 386.168@1.0797107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3448 2806 1 1 1 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.168 *386.1749* Lys Cys His 12461 10713 15236 14341 13204 17644 43009 40572 22617 24023 19107 81922 4742 1 1 1 41777 42870 30673 29589 20056 20268 38811 39228 4289 1 15207 1 47082 45608 15360 15357 66128 66788 13587 13347 41948 41399 1 6248 26968 1 11221 10817 12301 11389 1 1 9449 9893 34720 34233 16465 17239 14748 15080 54747 53202 10193 11556 11294 12205 43794 43191 16541 16625 17050 16389 11214 11601 26066 23320 8728 8891 11222 11344 16656 14698 57176 61322 21477 32370 43949 44343 29863 32862 4567 4408 21794 21639 386.1749 *386.1785* C20 H26 N4 O2 S 1 1 1 1 62607 62059 25100 25672 45138 43693 84171 6875 1 1 6511 1 1 1 42293 24094 43069 44702 50332 52074 1 1 1 14561 100216 99673 23265 23397 124989 118966 14581 14830 77669 77232 13955 19098 33401 25281 18633 20626 29975 13489 8633 30111 9983 9631 71446 95010 26206 24701 1 1 109214 110219 24028 25012 15987 15250 25181 8344 56058 53703 29698 28193 13597 14264 62453 61430 12462 11000 15654 14689 21312 21453 164275 164384 103777 113121 84858 63437 52211 52302 34387 31000 24350 48483 386.1785 *386.1828* 386.1828@1.0474702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4798 1 1 1 41051 1 1 1 1 28220 11122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1828 *386.1873* 386.1873@1.0476929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35060 39044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1873 *386.189* 386.189@1.0398154 1 1 10861 9781 1 1 1 1 1 1 1 1 18191 19431 19851 22216 1 1 1 1 1 1 1 1 1 1 18936 20460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15530 14696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23261 1 1 1 1 1 1 1 1 386.189 *386.1972* 386.1972@0.92547786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31101 30567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22008 1 1 1 1 1 1 1 1 1 386.1972 *386.2045* 386.2045@0.9850214 55259 54551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13878 20830 1 1 1 1 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2045 *386.2112* 386.2112@1.107849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 2854 1 1 3612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2112 *386.2242* 386.2242@1.1083955 1 1 1 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2242 *386.2347* 386.2347@1.1112859 3281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3572 1 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 3306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2347 *386.2397* 386.2397@1.1340171 1 1 1 1 1 1 1 1 1 1 1981 1 1 2758 3644 1 1 1 1 1 1 2462 1 1 2111 3689 1 1 1 1 1 1 1 1 1 1 6740 1 1 1 1 7314 1 1 4250 3875 1 2010 1 1 3648 1 5300 1 1 1 1 1 2494 1 1 1 1 1 1 1 1 1 1 1 2907 1 1 1 1 1 1 1 1 1 1 1 1 1 2281 1 1 1 1 1 386.2397 *386.2451* 12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid 1 1738 1 1 2403 2309 1 1 3904 5266 2088 2045 1 1 5215 2122 5089 4495 2631 3448 1948 2334 9137 9308 6766 5778 8138 4237 3446 3760 1 1 12870 11773 2635 2179 1941 6480 2579 2525 4991 1 8375 6991 6255 7335 1662 2288 4160 2910 1 1 1838 5256 1 1 13436 11335 3378 3365 13815 14166 1 1 1 1 9949 10769 7312 6156 4115 4563 6131 5718 8345 8836 1843 1 11183 12409 7940 7995 5275 5964 1562 1 1 1 5804 5515 386.2451 *386.2564* 386.2564@1.1192207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2564 *386.264* 386.264@1.3812162 1 1 1 1 1 1 1 1 3517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.264 *386.2641* 386.2641@1.4301006 1 1 1 1 1 1 1 1 6367 8862 13600 13054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38333 37172 1 1 1 1 6181 6298 1 1 1 1 1 1 6509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5632 7076 1 1 1 1 1 1 1 1 1 1 1 4171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2641 *386.2644* 386.2644@1.6038647 1 1 1 1 1 1 1 1 1 1 6700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20923 19737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2644 *386.2795* 386.2795@1.1425495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8455 10877 2674 1 1 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2795 *386.2851* 386.2851@1.140532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2851 *386.2902* 386.2902@1.1467843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 386.2902 *386.2962* 386.2962@1.1297206 1 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21501 3147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2998 1 1 1 1 1 1 386.2962 *386.3325* 386.3325@1.0504594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5361 5900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.3325 *387.0059* 387.0059@0.7886081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4813 4576 1 1 1 1 1 1 1 1 2893 2799 1 1 1 1 1 1 1 1 1 1 1 1 4923 4412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.0059 *387.0157* 387.0157@0.8319483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6887 7206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.0157 *387.089* Cys Tyr Cys 4504 4220 5040 4995 4497 4688 4448 5214 4635 5043 4432 4998 6535 6997 6693 6721 6651 6578 6575 6329 8446 8445 6163 5822 7999 8130 6842 7038 4604 4804 7483 7719 6450 6203 6522 6850 7782 7654 6454 6596 6656 6808 11044 10777 7518 7633 6821 6903 8042 7627 6949 6873 9889 9802 11157 10875 8635 8972 9121 8862 7096 7081 8126 8362 8526 8929 7102 6842 9422 10239 9910 10789 10144 10025 10013 10346 12723 13461 9307 8890 9503 11613 13071 13399 11839 12361 6622 6795 8971 8571 387.089 *387.1971* 387.1971@1.0076487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.1971 *387.2048* 387.2048@1.0198483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2779 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2048 *387.2414* 387.2414@1.1962707 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2414 *387.2421* 387.2421@1.198794 2838 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1 1 1 1 1 2442 5538 2446 1 1 1 1 1 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1914 1 1 1 1 2295 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1859 4344 4761 1 1 387.2421 *387.9783* 387.9783@0.9675246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4530 4128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9783 *387.9902* 387.9902@0.7279946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93712 97262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9902 *388.0058* 388.0058@0.8288034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28487 28649 1 1 1 1 1 1 1 1 4976 1 1 1 1 1 1 19928 1 1 1 1 24242 25735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8117 8252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 1 1 1 1 1 1 1 16807 388.0058 *388.0119* 388.0119@0.7955014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.0119 *388.012* C19 H16 O S4 8115 8009 6223 6287 14886 18620 13050 12892 24515 25322 14121 14290 12328 8844 1 1 6499 10615 1 1 1 3557 17503 18251 10824 13421 1 1 6434 8745 1 1 1 8369 26420 5862 10864 10774 1 1 1 1 6688 7119 13671 12829 6218 6227 20991 21142 1 4576 2779 7689 12161 1 6351 11954 1 1 1 1 1 1 10832 14877 15892 12517 1 9765 10623 11246 27471 26854 16165 15305 12253 15445 13326 8828 11455 6375 1 6689 20286 19893 1 1 19947 8117 388.012 *388.0134* C16 H12 N4 O2 S3 1 1 1 1 4074 1 1 1831 2735 2682 1 1 2246 4388 7592 7493 1 1 1 1 8624 7584 1 1 2249 2339 7945 9293 1 6185 11324 9970 4752 5420 1 1 1 1 10183 9842 1 1 1 1 1 1 1 1 1 1 9114 7752 3773 1 1 9481 5420 1 3602 4800 1 1 6477 7467 4549 1 1 3169 10964 1 1 1 1 1 1 1 5820 2883 1 5410 1 1 9547 1 1 1 8476 7774 6025 1 388.0134 *388.0249* 388.0249@1.4020126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.0249 *388.031* 388.031@1.2054269 1 1 1 1 2533 2484 1 1 1 1 1 1 1 1 1 2558 1 1 3338 3718 2622 2712 1 1 2702 2494 3166 3218 3347 2808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3138 3746 1 1 1 1 1 1 1 1 3657 2957 1 1 1 1 3352 3434 1 1 3273 3646 3406 3635 6677 7167 1 1 388.031 *388.0417* 388.0417@3.7107053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15847 21071 1 1 1 1 388.0417 *388.0424* 388.0424@3.626736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21001 9821 1 1 1 1 388.0424 *388.0585* C22 H12 O7 85620 84481 75153 79289 105865 106724 104738 95969 112704 91695 71768 92354 74849 86160 66570 61482 73130 71077 69481 92255 98317 79892 68979 82764 74501 84995 75014 90258 83829 89673 117287 108661 72495 83020 111182 88226 84148 98397 86792 72918 111079 103251 104177 112174 55934 68234 113774 111436 91267 74015 93415 77049 84221 89404 95429 98426 97941 81019 79032 95579 81732 92621 83373 91318 93021 97152 91582 112171 107765 88675 97277 120895 101553 86232 105329 103955 92268 81493 65754 73917 78260 73031 69441 65609 84521 74420 94127 113786 80978 83002 388.0585 *388.0609* C28 H8 N2 O 1 3011 5556 4417 1 1 7048 7718 1 1 1 1 1 5951 11769 5504 3814 4572 5273 1 4855 7152 1 1 1 6708 4550 4388 4304 1 1 1 1 4724 1 5153 1 1 4374 1 1 8767 5647 1 13776 1 1 1 4495 6802 8632 6836 6133 1 4698 1 1 1 1 6931 1 1 8430 1 5191 5342 1 1 1 1 7641 1 1 14140 1 1 1 7580 5135 4314 1 1 5526 5353 1 1 1 1 1 1 388.0609 *388.0699* 388.0699@1.628233 1 1 1 1 1 1 1 1 1 1 4918 3659 1 1 1 1 1 1 1 1 1 1 3386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3463 1 1 1 3536 1 1 1 1 1 1 1 1 1 388.0699 *388.0823* 388.0823@2.8964455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8475 8298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7963 9724 1 1 1 1 1 1 388.0823 *388.1532* 388.1532@4.4665985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8672 8859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1532 *388.1894* 388.1894@1.0918856 1 1 1 1 13189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1894 *388.1934* Leu Glu Gln 30449 1 17508 16999 10021 16407 63918 53487 72313 73930 27452 23369 8121 12124 1 1 9314 8566 40041 29821 20109 23708 52114 50959 1 1 1 16730 68357 72063 15458 15162 96576 117872 22692 23265 46482 52424 1 1 45769 46150 13661 17488 14323 15031 14363 13189 9631 11815 38052 35019 23420 25169 29667 25565 29185 34121 31930 35386 16168 18073 30019 27118 68064 68464 13105 12508 12975 17968 59370 48150 3026 3024 7147 7619 19909 23374 94852 96043 33746 31360 64703 66752 37624 34105 1 1 22286 20429 388.1934 *388.2006* 388.2006@1.1051385 1 27863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9324 6189 1 1 1 1 1 16646 1 20602 17248 1 1 8371 1 1 1 2934 4204 1 1 1 1 8650 5005 1 1 1 1 1 1 1 1 5640 5587 1 1 8660 1 9554 1 1 1 1 1 1 1 1 1 1 1 1 10320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6452 388.2006 *388.2033* 388.2033@0.9598455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2033 *388.2096* 388.2096@1.0823662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 2595 2828 1 1 1 1 1 1 1 1 3060 3266 1 1 1 1 1 1 1 2411 21876 1 1 1 1 1 1 1 1 7614 4875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2096 *388.2136* 388.2136@0.9867073 1 2856 1 1 1 1 1 1 1 1 1 1 1 1 2747 1 1 1 1 1 1 1 1 1 1 1 3502 4013 1 1 1 1 1 1 1 1 2617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2136 *388.2211* C30 H28 13610 13390 1 1 1 3295 1 1 1 1 5632 6425 6341 6412 5515 4738 3991 3981 1 1 1 2153 8279 10544 1 1 4380 8118 2950 3458 1 1 1 1 1 1 14142 9310 1 6563 9485 11569 1 1 4415 4819 12498 13223 2770 1 1 17165 1 1 9485 11775 1 5968 1 1 1 1890 1 1 19912 17573 6975 1 4634 4681 1 1 1 1 8063 1 9238 6898 1 1 27556 27327 17348 15294 7747 9061 4985 4665 4528 1 388.2211 *388.2216* 388.2216@1.0351765 1 9839 1 1 1 1 1 1 1 1 1 1 1 1 2337 4323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2216 *388.2252* 388.2252@1.1464795 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6919 1 4759 1 1 1 1 1 1 1 1 1 1 1 6149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4696 3320 1 5543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2252 *388.2321* 388.2321@1.1985729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 3012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2321 *388.234* 388.234@1.1269715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14756 22718 1 6829 1 1 1 1 1 1 1 1 1 1 1 9831 1 1 1 1 1 1 1 1 1 1 1798 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5047 1 1 388.234 *388.2445* 388.2445@1.0913234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2445 *388.2502* C26 H32 N2 O 1 1 1 1 8710 6831 1 1 1 1 10363 8096 5277 5262 7812 8232 1 1 1 1 1 1 1 1 1 1 8375 1 1 1 5079 4942 1 1 1 1 1 1 1 2164 1 1 1 1 12704 12367 10002 9549 6641 6901 1 1 2631 3268 1 1 1 1 1 1 5401 6351 1 1 42776 45116 8556 8060 4569 1 1 1 1 1 4585 1 6294 10934 1 1 1 1 1 1 13108 12989 1 1 1 1 388.2502 *388.2526* 388.2526@1.0733947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2526 *388.2915* 388.2915@5.3154936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23980 25120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2915 *388.9431* 388.9431@1.1121092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2959 4376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.9431 *388.9745* 388.9745@1.1411248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1 2458 2293 1 1 1 1 1 1 1 1 1 1 13966 14699 1 1 1 1 1 1 2779 2608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13082 9351 1 1 1 1 388.9745 *389.01* 389.01@0.8277867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.01 *389.0478* 389.0478@1.498572 4184 1 5474 1 1 3475 1 3965 1 1 3263 1 14166 1 3075 2649 1 2993 1 1 1 1 1 1 1 1 4139 2932 1870 1 1 1 1 1 1 1 1 3658 1 3970 1 3292 5466 1 1 1 1 3795 1 1 1 1 1 4754 4882 1 1 1 5120 1 1 1 1 1 1 1 1 1 1 3427 10362 1 1 3123 1 1 1 5465 2779 4114 1 6253 5630 5323 8915 1 3296 4628 1 1 389.0478 *389.0541* 389.0541@1.5789932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.0541 *389.1739* 389.1739@1.1377661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.1739 *389.1916* 389.1916@1.109476 1 1 1 1 1 5012 1 1 1 1 1 1 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 1 1 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.1916 *389.2* 389.2@1.1190615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 1 1 1 1 1 1 389.2 *389.2117* 389.2117@1.0849297 2902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 389.2117 *389.2546* 389.2546@1.1852231 1 2586 1 1 1 1 1 1866 1 1 1 1 1 1 1499 1 1 1 1 1454 1926 1 1 1 1 1 1 1985 2667 4107 1 1573 2633 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 2554 1 1503 1 1 1 2825 1 1 1 1 1 1908 1697 1 1 1 1 1 1 1 1 1 1 1 1 1695 2220 1 1 1 1 1687 1375 3485 3642 1 1 389.2546 *389.2589* 389.2589@1.1980249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 3066 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.2589 *390.0246* 390.0246@2.0742183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.0246 *390.0264* Sulfadoxine suflate 26767 27061 25709 27041 41901 42151 40383 40390 44709 43379 33364 32476 42135 41177 28708 27874 19930 19865 38963 39972 40091 40458 39391 38206 34755 35431 34291 33899 34819 35676 44861 46980 32613 31377 48541 48426 38381 40004 30981 31007 45071 47308 48575 46234 37046 34058 53939 52398 38283 39305 33698 34173 52728 52577 41308 39789 38767 39760 36637 36367 40394 40945 44826 44171 40599 41669 49900 47773 51480 51001 56571 57356 45298 46984 48358 49955 40183 39347 34331 35032 34527 32710 40161 39981 41278 39896 42141 44670 48328 50495 390.0264 *390.0289* 390.0289@2.847502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.0289 *390.0396* 390.0396@3.7167027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3652 6788 1 1 1 1 390.0396 *390.0965* C13 H22 N6 O2 S3 5741 5370 2676 1 4176 4512 10416 10307 1 3174 6364 6046 4454 4713 7882 8153 4089 4689 3778 4979 5168 5249 4131 3706 2604 1 3974 4388 5555 5178 4615 4776 17876 17122 7790 8294 6548 6229 8238 8215 10207 10149 3721 3155 7065 6418 5647 5438 4471 4882 6034 5850 4964 4254 8888 8480 6702 6907 1 1 5165 5119 2530 2999 9966 9778 6039 5913 4176 4563 4701 4843 3027 1 7982 8392 4845 4363 18000 18138 12461 13041 10932 10301 3893 3634 1 1 6588 7054 390.0965 *390.1031* 390.1031@1.0568982 1982 2225 1 1 1 1 1 1 1 1 1 1 1 1 2533 5458 2480 2447 8758 8141 1 1 1 1 1 1 1 1 1904 1853 1 1 1 1 1 1 2122 4853 3345 6500 1252 1 1 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6292 6300 1 1 1 1 8129 8293 1 3315 1 1 1 1746 1 1 1 1 1 1 1 1 390.1031 *390.1039* 390.1039@2.0750258 1 1 1 1 1 1 1 1 3753 3489 1 1 1 1 1 1 1 1 1 11965 5303 5383 4065 3579 1 1 1 1 1 1 1 1 1 1 88600 90828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5217 5181 1 1 1 1 1 1 1 1 1 1 1 1 1 34449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1039 *390.1104* 390.1104@1.0559443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5321 6021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1104 *390.1242* 390.1242@0.89590347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9365 8503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1242 *390.1253* 390.1253@1.0535524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 2841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1253 *390.1298* 390.1298@3.8838465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25604 25297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1298 *390.1383* 390.1383@0.81883633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3579 3627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1383 *390.1548* 390.1548@5.3835998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 3985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1548 *390.1677* 390.1677@0.8372517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3768 3282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1677 *390.2341* 390.2341@1.0320452 3374 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 1 4033 1 1 1 1 1 1 1 1 1 1 1 4181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2341 *390.2423* 390.2423@1.0756277 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 3481 4164 1 1 1 1 1 1 1 1 1 1 1 1 3889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 390.2423 *390.2496* 390.2496@1.2044429 1 3043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2496 *390.2607* 390.2607@1.1823789 1 1 1 1 1 1 1 1 1 1 1 1 1 6431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 2548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2607 *390.2721* C22 H43 Cl O S 11918 18258 4355 4042 19482 24835 8122 8728 1 27639 1 1 1 1 16328 16525 12778 17103 1 12980 1 8909 20076 20300 44183 42749 28364 29830 22340 17583 18044 18878 19793 20080 8071 1 27375 18981 28272 20917 9610 10076 17009 5126 8886 11289 1 1 3859 1 23982 23708 1 8907 1 1 19424 1 1 13572 8434 1 1 6559 5433 4488 21182 21730 1 3328 1 13784 8596 16096 20879 21986 34699 36648 1 1 10444 9483 1 1 13018 11835 21235 20025 25115 1 390.2721 *390.2726* 390.2726@1.1582489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2726 *390.2744* C19 H39 Cl N4 O2 24346 23938 18129 18263 32582 32472 26997 33810 27967 28127 36986 35963 21284 21429 32751 31874 15703 11757 26569 26833 26740 26021 44897 42456 44335 40370 36229 38729 56121 52309 30460 32438 41148 32323 19291 19653 33795 41184 36202 37357 37827 36610 7577 16138 51689 37144 46479 45844 29370 31995 42860 42573 36247 38309 32830 33741 19408 32464 33445 20829 31434 34236 27282 15695 64376 63635 36881 35324 21304 30825 32373 18551 23012 21697 25655 26082 38746 51824 37005 38452 29605 30379 41264 36600 59610 59699 31998 37398 18781 25801 390.2744 *390.6735* 390.6735@1.0084275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24934 31057 1 1 1 1 1 1 1 1 20527 1 21496 1 13274 1 1 1 1 1 1 18671 1 1 1 1 1 1 390.6735 *390.9341* 390.9341@1.1083226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50279 49400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95473 116899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49534 49767 1 1 1 1 1 1 1 1 1 1 74676 74277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9341 *390.9372* 390.9372@1.1675515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3798 3686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9372 *390.9668* 390.9668@0.79788136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14409 15464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9668 *390.9795* 390.9795@1.140545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 2944 1 1 1 1 1 1 2957 2538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2436 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 390.9795 *391.082* 391.082@3.1288857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22255 20982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.082 *391.083* 391.083@1.1990727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 391.083 *391.1331* 391.1331@1.1291882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2088 1 1 1 1 1 1 1 1 1 391.1331 *391.276* 391.276@1.1314037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.276 *392.0871* 392.0871@1.1151905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7079 8061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.0871 *392.1016* 392.1016@1.0573295 1718 2591 1 1 1 1 1 1 1 1 1 1 1 1 2461 1 2645 2078 1 1 1 1 1 1 1 1 1 1 1783 2468 1 1 1 1 1 1 2218 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1016 *392.109* 392.109@4.3461246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9788 10057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.109 *392.1179* 392.1179@1.9542755 1 1 1 1 1 1 4199 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5091 1 1 1 1 1 1 1 1 1 392.1179 *392.1234* 392.1234@1.1053432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2810 3575 1 1 1 1 1 1 1 1 392.1234 *392.1309* 392.1309@2.6247652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9748 10197 1 1 1 1 1 1 1 1 1 1 392.1309 *392.1349* 392.1349@1.0976245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1349 *392.1356* 392.1356@2.2187743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5095 4080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1356 *392.143* 392.143@1.0981247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.143 *392.1544* 392.1544@1.0983478 1 1 1 1 1 1 8678 7271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5697 1 1 1 1 1 3505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3133 7992 9806 8921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 392.1544 *392.1613* 392.1613@1.0979447 1 1 1 1 1 1 1 1 1 1 2482 1 1 1 1 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1613 *392.1792* 392.1792@2.8225038 1 1 1 1 2855 3762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1792 *392.1804* 392.1804@1.9761225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21641 18302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1804 *392.1854* 392.1854@0.79109955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1854 *392.187* 392.187@0.842257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33679 23090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.187 *392.1989* 392.1989@0.7120872 6802 7194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 4316 1 1 1 1 4252 4563 4670 4613 7585 7044 1 1 1 1 1 1 1 1 1 1 3890 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4769 4774 1 1 1 1 1 1 1 1 392.1989 *392.2122* 392.2122@1.974011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2122 *392.2207* 392.2207@1.1045742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 1 1 1 1 1 1 1 1 1 392.2207 *392.2302* 392.2302@1.0292933 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2302 *392.2523* 392.2523@1.1396031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2523 *392.2665* 392.2665@1.1647863 1 1 1 1 1 1 1 1 1 1 2563 1 6901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2665 *392.2773* 392.2773@1.1374555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11324 1 1 1 1 1 1 5951 10105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2773 *392.2823* 392.2823@1.1179171 1 1 5155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2823 *392.2902* 392.2902@1.2541308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4848 1 1 2316 1 1 1 1 2401 1 1 1 1 1 1 2822 3786 4545 3739 1 1 3255 1 1 1 1 1 2284 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 866297 1 1 1 1 1 1 1 1 1 1 2097 1 2834 1 1 1 1 1 1 1 1 1 392.2902 *392.2903* Murocholic acid - 1.3160549 7466 10044 1 1 1 1 8181 9850 1 1 1 1 1 1 6366 4184 18950 19424 5759 7226 1 1 16944 13100 22098 18125 7115 9891 53673 53441 1 5029 36937 32591 1 1 1 1 7833 6792 19794 17349 7069 6010 9992 15292 1 1 1 1 7247 5545 1 1 1 1 1 1 12536 11642 1 51219 1 1 72681 66329 58958 72202 1 1 1 1 22230 27288 16338 18465 1 7270 10541 1 6719 8546 1 1 1 1 8993 8507 16864 16547 HMDB00811 392.2903 *392.2909* Murocholic acid 113996 121269 22810 22312 37972 34846 124924 123618 123216 124582 17421 17168 20155 20733 76416 73101 181720 179969 79989 81814 15530 23755 129119 122227 295381 327483 101889 103946 565461 564964 84988 79411 407112 406979 27144 35507 34279 34908 129625 126498 205170 181757 106497 106107 140337 142345 50930 50522 35752 33358 85323 83791 66839 66532 7789 19545 31438 30226 109731 107780 51532 9503 12977 13260 600745 585076 870560 11626 77749 75546 15734 15294 260936 257423 146521 164505 124076 119970 99440 109619 83741 82774 68197 37395 56450 66848 111288 110776 122150 118618 HMDB00811 392.2909 *392.291* 3beta,4beta-Dihydroxy-5beta-cholan-24-oic Acid 126957 128569 104708 105408 128292 170053 132949 154196 169623 168351 172558 164453 47219 47134 207914 194872 29569 24194 55772 59339 63861 68359 281181 299858 231626 222762 177001 192341 291511 91574 83224 242448 269685 253255 116995 106539 193608 214287 298105 91172 206081 209404 38441 39230 179020 196758 196273 210142 169627 86537 305042 300619 276024 273082 172095 156174 48992 182726 204787 197152 135071 119547 94334 96505 198517 205282 165178 166156 129428 156535 42292 41714 114000 114171 137535 55405 169390 87511 59611 191479 49942 1 143775 142257 269795 264574 424212 77986 143477 72070 392.291 *392.4585* 392.4585@1.1992959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.4585 *392.6718* 392.6718@1.005381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10635 8517 1 8904 1 12358 1 1 10200 11592 1 1 10338 1 1 1 1 1 1 1 392.6718 *392.931* 392.931@1.1846397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.931 *392.9614* 392.9614@1.1406233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.9614 *392.972* 392.972@1.139483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.972 *392.9934* 392.9934@1.1401786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5455 2758 1 1 2570 4045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2591 2069 1 2562 1 1 4060 3198 1 2564 3237 392.9934 *393.0535* C18 H19 N O3 S3 18112 17269 7482 7495 22663 22079 40195 41374 26720 25150 31806 31596 20464 19636 19415 18886 18954 19230 44868 45134 26381 25839 20006 21263 34515 34992 19201 19523 21434 20367 21581 22258 27105 26432 22663 22308 23143 24187 17632 17665 8660 8702 17868 18300 40647 41917 13193 14286 16579 16228 54997 54091 10199 9785 20255 20856 43174 39848 6198 5253 20300 19563 6967 7361 15283 16321 33318 34561 13262 14481 30546 30367 12631 12924 9806 9695 30236 29962 24126 25208 15038 14992 7873 6944 44926 45742 8144 8036 56067 54147 393.0535 *393.1206* 393.1206@2.544519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3794 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2693 2917 1 1 1 1 1 1 1 1 393.1206 *393.1365* 393.1365@1.1049887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2825 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.1365 *393.2853* 393.2853@1.1238098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 1 1 1 1 1 1 1 1 1 1 1 1 393.2853 *393.8968* 393.8968@0.89819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 1 1 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.8968 *394.0517* C15 H20 Cl2 N2 O4 S 1 5300 12755 13048 1 1 1 1 1 1 6280 6411 10605 9862 6073 2243 1 5214 26804 26335 17350 16931 23501 26357 9693 10204 14253 14188 22787 22502 1 5671 11377 3877 1 1 4398 5160 6152 6199 1 1 3001 3398 3216 4103 5894 6839 11628 11644 1 1919 6807 8297 7804 7147 7809 8294 22013 22245 1 1 1 1 1 1874 1 1 1 1 17174 12314 5605 5952 7456 10846 8065 6277 1 11494 9740 31872 13664 14083 1 1 5667 5812 17693 18091 394.0517 *394.0578* 394.0578@1.0783297 5546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.0578 *394.1328* 394.1328@1.9652555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5754 5552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10940 8594 1 1 1 1 394.1328 *394.1368* 394.1368@1.3460338 7408 7300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.1368 *394.1538* 394.1538@1.094429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 1 1 1 1 1 1 3023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.1538 *394.1598* 394.1598@1.0957267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10843 6645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2000 1 1 1 1 1 394.1598 *394.1999* 394.1999@0.9768737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2800 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.1999 *394.2004* 394.2004@0.8597714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32715 32805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2004 *394.2521* 394.2521@1.1484454 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2628 1 1 1 1 12552 14138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2521 *394.2641* 394.2641@1.1502521 1 1 1 1 1 1 1 1 2635 1 2933 3889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3994 1 1 1 1 1 1 1 1 1 1 8015 3250 1 1 1 1 1 1 1 1 1 1 3163 1 1 1 1 1 1 1 1 1 1 4882 1 1 1 1 1 1 1 8899 1 1 1 1 1 2262 1 1 1 4529 1 1 1 1 394.2641 *394.2695* 394.2695@1.1482247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4542 1 1 1 1 1 1 1 1 5213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2695 *394.2761* 394.2761@1.1356812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2761 *394.2855* C21 H43 Cl O4 1 1 1 1 71800 6690 29163 1 1 1 1 1 148705 116679 10546 12468 168392 167016 168864 212097 154182 222432 16293 1 1 15103 12378 1 1 54588 110036 1 1 1 5899 7956 1 1 7345 15694 1 1 120735 27849 1 1 1 1 1 71929 14789 10513 1 1 5210 1 102594 1 1 1 1 12144 1 1 1 1 16541 1 1 1 94234 90815 1 1 1 79853 1 1 35107 12171 33284 105313 1 8613 1 1 1 345657 1 47224 394.2855 *394.2866* 394.2866@1.0700428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92314 34373 1 1 1 1 1 1 1 1 207726 1 1 1 62541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51233 69485 1 74191 1 1 1 1 1 1 1 1 1 394.2866 *394.2976* 394.2976@1.0592444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21725 19510 1 1 16516 1 1 1 1 1 1 1 1 1 1 1 1 1 11743 1 1 1 1 1 1 1 394.2976 *394.9958* 394.9958@1.1375811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.9958 *395.0435* 395.0435@1.1505711 2451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5774 5703 1 1 4566 4028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.0435 *395.0557* C22 H9 N3 O5 3686 4452 4030 1 6176 6313 5910 4847 6837 6876 4918 4338 5926 6567 1 1 1 1 6004 6227 6281 6315 1 4731 4271 1 5385 5818 4354 5020 7372 6786 5922 5772 7051 8100 5479 4876 5416 6353 8540 7839 8095 8349 5247 6806 8018 8469 6397 6004 5801 1 7424 6806 7631 7996 6665 1 6694 6755 5686 5210 6475 6940 4623 5205 4138 4890 6639 6744 7692 8231 5549 5714 5434 5961 7447 4649 5012 5684 5148 4826 6937 3963 5300 5044 7283 6932 7443 7642 395.0557 *395.0578* 395.0578@2.2540293 1 1 1 1 1 1 73227 77573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.0578 *395.0585* 395.0585@0.88743204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.0585 *395.0598* 395.0598@1.0154518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 5504 1 3005 1 1 1 1 3480 3668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3829 3846 5450 1 1 1 1 1 4129 3818 1 1 395.0598 *395.1367* 395.1367@0.91131365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.1367 *395.2915* 395.2915@1.0992767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2915 *395.8924* 395.8924@1.0799351 1 1 1 1 1 1 1 1 3360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 4168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5250 4929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.8924 *396.0503* 396.0503@1.0733215 1 1 1 1 2146 2006 1 1 1 1 1 1 1 1 1 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7906 1 1 1 1 1 1 1 1 4450 4139 3990 3994 1 1 1 1 3956 3548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4663 1 16782 1 1 1 1 4144 9343 9778 1 1 396.0503 *396.0679* 396.0679@1.5241432 1 1 1 1 1 1 1 1 1 1 7540 7331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12674 11840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8774 8479 5500 5905 1 1 1 1 8677 9789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.0679 *396.1702* 10,11-epoxy-chlorovulone I 1 1 3776 3677 12259 12207 4288 4755 6845 6431 4139 3876 12604 12201 7296 7418 7164 7665 6030 1 8372 8881 3422 4913 7906 7911 7718 7808 3761 5469 4927 5611 4017 3246 4432 4649 4708 4781 6905 7869 6103 5830 9594 9827 4885 4707 11576 10135 4122 3634 5282 5406 7329 7466 6189 6426 4115 4044 7164 7504 4618 4358 3613 3172 1 3857 5459 5531 5512 5138 7590 7339 3904 5301 3390 3873 5402 5653 3034 3158 6131 6400 6782 7651 8889 8952 19967 19768 5982 6716 396.1702 *396.1749* 396.1749@1.1666253 9412 9340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1749 *396.1863* 396.1863@0.8977257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1863 *396.1945* Pregnenolone sulfate 8547 8365 5349 4404 4773 3976 1 1 15226 15572 12928 13565 1 1 7557 7553 6005 7446 7501 7184 9528 9756 13622 12743 7063 5880 9260 9043 12138 10268 7590 7610 39823 39793 4966 4385 19081 18089 5982 6341 14272 14032 14662 14907 8974 8695 7048 6849 5922 6236 13377 2663 18403 18804 15555 15675 7872 7281 1 1 11339 10681 4963 4765 1 1 10730 10972 9186 8818 37139 37291 6646 6421 4887 4524 9623 9448 12958 12633 20422 20273 17610 16593 21207 20413 4026 1 12146 12450 HMDB00774 396.1945 *396.1949* 396.1949@0.79290193 3681 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10546 1 1 1 1 1 1 8761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1949 *396.2038* 396.2038@0.86059207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2038 *396.2122* 396.2122@2.8673444 1 4684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2122 *396.2123* 396.2123@2.807322 1 3770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2123 *396.2153* 396.2153@1.9855112 8141 4439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2153 *396.2322* 396.2322@1.0332962 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2322 *396.2482* 396.2482@0.8223392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4998 5141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2482 *396.2525* 396.2525@1.1673226 1 5416 4141 3879 1 1 1 5283 1 6831 1 1 4296 3852 1 1 5603 2830 1 1 1 1 8878 8283 1 1 8577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 1 1 2507 1 1 1 1 1 1 1 21516 22877 1 1 1 1 1 1 1 1 5781 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2525 *396.2631* 396.2631@1.1506723 3362 1 1 1 1 1 1 1 1 1 7018 6802 1 1 1 1 1 1 4076 1 1 1 1 1 1 1 1 1 1 1 1 1 5217 2640 1 1 1 2761 1 1 4495 7625 1 1 1 1 1 1 1 2694 8185 8741 1 2782 1 2433 1 1 1 1 1 1 1 1 1 1 1 11905 1 1 1 1953 1 1 1 1 1 1 1 1 1 1 3423 1 1 1 1 1 1 1 396.2631 *396.2665* 396.2665@1.1423213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 6441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7344 1 1 1 1 13578 1 1 1 1 1 1 1 1 1 1 2806 1 1 1 1 1 1 1 1 1 1 1 1 396.2665 *396.2726* 396.2726@1.1231683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8891 1 1 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2726 *396.2846* 396.2846@1.0788727 1 1 1 1 1 22885 1 1 1 1 1 1 1 37110 1 1 1 1 56533 19824 52335 1 1 1 1 1 1 1 1 39360 1 1 1 1 1 1 1 1 1 1 1 1 1 29033 1 1 1 1 1 1 1 1 1 1 1 1 35363 1 1 1 1 1 1 1 1 1 1 1 1 1 29783 31156 1 1 1 1 1 1 36670 1 34538 35608 1 1 1 1 109353 1 1 21007 396.2846 *396.2998* 396.2998@1.0633259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24120 1 1 1 1 1 1 1 1 1 1 1 7992 396.2998 *396.3187* C15 H41 Cl N10 1 1 1 19003 4483 4590 1 2515 9180 4451 1 1 1 1 3729 3333 1 1 1 1 1 2594 1 2529 1 5383 5596 1 1 7676 4497 6113 5180 6389 1 1 3797 2606 1 2314 3823 1 1 1 1 4955 1 3762 5239 8214 4231 5325 1 1746 3329 3765 1 9566 3996 3648 1 1 1 1 1 1 1 1 8545 1 1673 1 1 2540 2524 1 1 1 5151 1 2172 1 2948 1 4589 4667 1 3426 1 1 396.3187 *396.322* 396.322@1.0472645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4294 1 1 1 1 1 1 1 1 1 1 1 13792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.322 *396.9446* 396.9446@1.2323847 1 1 1 1 1 1 1 1 1 1 1 1 28455 28450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.9446 *397.0208* 397.0208@1.5902753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0208 *397.0221* 397.0221@1.5605102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11920 11073 1 1 6882 11308 1 1 1 1 7073 7137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0221 *397.0453* C20 H15 N O4 S2 1 1 1 1 17212 16846 7100 7819 1 1 1 1 4150 4399 3622 1 10581 10743 5261 6057 7330 6682 9045 10008 1 1 1 1 1 1 1 1 11541 10792 34107 34903 9271 11209 1 1 9407 9096 1 1 45627 47557 14666 14618 3223 4557 1 1 5058 4851 14920 13119 5707 6337 1 1 5257 5169 34986 34088 3794 1 1 1 4805 4939 13902 13405 1 1 9647 9139 1 1 110395 114047 20408 18092 18532 19605 7160 8336 3567 3945 42507 39660 397.0453 *397.0454* 397.0454@1.0571084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4237 1 7699 1 1 1 1 1 1 1 1 1 9240 8146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24652 16379 1 2400 4142 4374 1 1 1 1 5287 6212 397.0454 *397.0552* 397.0552@2.3510478 1 1 1 1 1 1 5866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0552 *397.1499* 397.1499@0.9672982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 2452 2541 1 1 397.1499 *397.2239* 397.2239@1.0223159 20448 20939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.2239 *397.2867* 397.2867@1.0822212 1 1 1 3491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.2867 *397.2935* 397.2935@1.0767742 1 1 3379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5444 5054 1 1 5546 1 1 1 5475 1 5160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6866 1 1 1 2842 1 1 1 1 1 3708 1 1 1 1 1 1 1 2876 3313 1 6024 1 1 1 1 397.2935 *397.3079* 397.3079@1.0656338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4248 1 4229 1 1 1 1 1 1 4941 1 1 1 1 1 1 1 1 1 1 1 1 1 397.3079 *397.3176* 397.3176@1.0545614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.3176 *398.0087* C12 H18 N2 O5 S4 24301 23876 18650 18128 33494 30803 19941 18375 27991 30022 39688 36731 26228 30673 33330 33569 32594 32020 31840 36867 43095 42700 33248 32021 37297 37009 27736 24705 21935 22146 35223 37348 17730 17920 25086 25503 7986 5733 35535 37929 10842 11157 28691 25508 38088 36028 1 1 28993 26923 35116 32472 8428 7945 27883 28100 34795 34648 14176 14262 1 1 16962 17926 18068 17746 27867 27724 32136 30501 36390 35952 28475 26462 22369 22110 32099 32941 20599 21949 13162 12091 14665 13577 30483 28578 9729 10189 30526 31018 398.0087 *398.0091* 398.0091@0.8164909 1 1 1 1 1 1 1 1 4502 1 1 1 1 1 1 1 1 1 5822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.0091 *398.0494* 398.0494@1.0199676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2378 4181 1 1 1 1 1 1 1 1 1 1 398.0494 *398.0656* 398.0656@1.6041049 1 1 1 1 1 1 56042 53007 1 1 1 1 1 1 1 1 23578 23597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4646 4766 20729 21094 1 1 398.0656 *398.0657* 398.0657@1.5185456 1 1 1 1 1 1 12149 12801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.0657 *398.0708* 398.0708@3.6657228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16324 21571 1 1 1 1 398.0708 *398.0874* 398.0874@2.6685162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 3668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4717 4241 1 1 1 1 8399 6382 3021 1 1 1 398.0874 *398.0991* 398.0991@2.0277128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7471 6812 1 1 1 1 1 1 1 1 7596 8481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5085 4030 1 1 1 1 398.0991 *398.1572* 398.1572@4.512375 1 1 1 1 1 1 1 1 1 1 1 1 4617 4898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1572 *398.1716* 398.1716@5.2979355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3163 3890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1716 *398.172* 398.172@5.231621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.172 *398.1777* 398.1777@0.94452554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5631 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2980 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 398.1777 *398.184* 398.184@1.2435353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4563 1 1 1 1 398.184 *398.1842* C17 H27 Cl N6 O3 120015 124906 31400 31798 18103 30830 28078 27846 53937 54438 18882 20491 55916 61660 45981 48246 42405 44483 40312 39139 40344 39829 15287 15339 46210 45787 24771 39081 25479 25780 22504 27767 17511 15746 25555 24535 40174 42684 26415 31704 32780 33507 33829 31842 19714 18341 44049 36419 21980 18905 23486 25602 42016 40360 33859 30414 20066 20622 23176 22433 25183 23254 14864 17275 40219 39711 37986 37231 20554 18895 39564 37279 12248 12920 15265 17305 25625 25060 10794 11428 35982 37678 24429 26856 36312 36750 114497 122490 25549 26124 398.1842 *398.1856* 398.1856@2.0677428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32720 27729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1856 *398.2102* 3,7,12-Trioxochola-1,5-dien-24-oic Acid 61164 53789 20457 19835 47535 35156 45315 35840 79766 82307 132761 124692 15838 14939 54360 50756 22369 23099 105505 67285 54243 52250 64714 86647 45763 45902 59972 62305 83132 82464 34976 55007 154750 238244 23233 31961 90455 86797 38724 50128 102193 102655 80918 80180 63005 63053 105075 106043 37390 50188 84402 122983 90757 112312 149578 142432 50933 55525 1 1 52339 51980 20362 20206 48383 48937 102218 84329 67939 64548 177238 174653 59986 61286 30759 27678 60398 56438 114881 102648 139884 142730 134086 128617 168857 164110 56053 54217 98546 96205 398.2102 *398.2274* 398.2274@3.4397292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13876 15507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2274 *398.2278* 398.2278@0.8858949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285914 279202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2278 *398.2283* 398.2283@3.7833586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25461 26275 25821 26889 1 1 1 1 6893 6068 1 1 1 1 1 1 1 5568 1 1 1 1 6377 6295 1 1 1 1 398.2283 *398.232* 398.232@1.0281758 1 1 1 1 1 1 1 1 1 1 1 1 8766 1 1 1 1 1 1 1 1 1 7016 7018 1 2082 1 1 2135 2337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8777 4169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.232 *398.2402* 398.2402@1.0345119 1 1 1 1 1 1 5342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2402 *398.2749* 398.2749@1.1316545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 3208 1 1 1 1 1 1 1 1 1 1 1 1 8590 3633 4396 1 1 1 1 23251 25323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2749 *398.2789* 398.2789@1.1192296 1 1 1 1 1 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2789 *398.2913* 398.2913@1.1310259 2579 4707 1 1 1 1 1 1 1 1 5663 1 1 1 2164 4710 1 1 3375 3088 2457 1 1 1 1 1 1 1 6337 8285 1 3446 9828 1 1 1 1 1 4331 1 1 1 1 1 1 1 1 2872 1 1 1 1 1 1 1 1 8686 1 1 1 5436 1 1 1 1 1 7838 8718 1 1 1 3852 1 1 1 1 1 1 1 1 1 1 1 3852 1 4642 1 1 1 1 398.2913 *398.301* 398.301@1.0990032 1 1 1 1 1 1 1 1 1 1 2439 1 1 2700 2773 1 1 1 2150 1 1 3361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 1 1 2502 1 1 1 1 1 1 1 1 1 1 4844 1 1 1 1 1 1 1 1 1 1 1 1 1 8457 1 1 1 6376 6307 3571 1 1 1 1 1 1 1 1 1 1889 1 1 1 1 1 2964 1 1 1 398.301 *398.3131* 398.3131@1.0893811 1 1 1 1 1 1 2859 3243 1 5846 1 1 1 1 1 1 1 1 1 1 3319 1 3152 3515 3410 1 1 1 10924 1 1 1 1 1 1 1 1 1 1 1 2235 1 1 1 3107 3003 1 1 1 6873 1 4458 1 1 1 1 1 1 6529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5869 2361 1 1 1 1 1 2011 1 1 1 1 1 1 398.3131 *398.3223* 398.3223@1.0807109 1 1 1 4743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 10325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.3223 *398.3303* 398.3303@1.0536609 1 1 3213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4511 4480 1 1 8588 1 1 1 5526 4445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.3303 *398.335* Tetracosanedioic acid 4692 4521 1 1 6134 7148 5185 4758 1 1 1 1 1 3828 7810 9190 1 5825 8051 1 5549 6536 1 6798 1 1 1 1 1 1 9618 14799 10133 10001 1 1 6544 1 1 7820 1 1 1 1 1 1 7742 6054 1 1 8171 7609 5999 4875 5366 5019 1 1 1 1 1 8772 3844 4026 8364 9645 8197 8657 1 1 4944 5146 5789 5591 6492 6368 1 1 9014 8738 7898 7410 1 5445 7433 7238 11748 11420 8319 8114 398.335 *398.3443* 398.3443@1.0457801 1 1 1 1 1 1 1 1 7850 1 9741 1 2964 1 1 1 5468 1 1 1 1 1 6831 1 6945 7066 1 1 1 1 1 1 1 1 1 1 1 8156 1 1 1 1 1 1 12989 11874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8911 1 1 1 1 1 1 1 13938 14574 1 1 1 1 1 1 1 1 1 1 1 1 5250 1 1 1 1 1 1 1 398.3443 *398.3471* 398.3471@1.0420439 1 1 1 1 1 1 1 1 1 6977 1 9546 1 1 1 1 1 1 1 6420 1 1 1 1 1 1 3269 3569 17325 16977 1 1 1 1 1 1 1 1 1 1 9245 8784 1 1 1 1 1 1 1 8803 1 1 1 1 1 1 1 1 8580 8649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12076 13145 1 1 1 1 1 1 1 1 1 1 1 1 398.3471 *398.3636* 398.3636@1.035911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9195 1 1 1 1 1 1 1 20622 21678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.3636 *399.0946* 399.0946@1.3454261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2584 1 1 1 1 1 399.0946 *399.1571* 399.1571@5.2984343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4306 4469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.1571 *399.1895* 399.1895@0.9046181 1 1 1 5935 1 1 1 1 1 1 1 1 5963 6073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.1895 *399.1961* 399.1961@0.89799803 1 1 6197 1 1 1 1 1 1 1 1 1 1 1 1 1 6707 7414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.1961 *399.2331* 399.2331@1.1195105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 2761 1 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.2331 *399.2418* 399.2418@1.1213377 1 1 1 1 1 1 1 1 1 1 1872 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 4733 3942 1 1 1 1 1 1 1 1 1 1 1 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 2453 2852 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.2418 *399.2488* 399.2488@1.1235529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.2488 *399.3296* 399.3296@1.1493435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 399.3296 *399.3315* 399.3315@1.144936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.3315 *399.9425* C11 H4 N4 O9 S2 13567 13820 53694 57214 10428 9905 63577 66383 75870 78739 39194 42737 5803 6171 29878 30993 1 1 23000 23816 29307 29522 17358 18386 40024 40934 22255 20377 46880 49147 30762 30856 7144 6857 13708 13084 28863 30192 32347 32538 15473 14846 11100 11344 28347 28854 36767 35521 10739 10597 22337 22536 12224 13162 38489 38589 11690 11408 13541 13233 8002 10335 18387 17857 10477 11538 18878 18232 8065 8583 21962 22458 40557 41440 5150 5232 26725 26287 10942 12573 7358 7691 16237 15957 25814 24958 34289 32273 19123 18264 399.9425 *399.9475* 399.9475@0.7500439 1 1 4634 1 1 1 1 1 3603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 399.9475 *399.957* 399.957@5.4836187 1 1 1 1 1 1 1 2227 1 1 1 1 1 1 1 1 1 1 2706 2772 2075 1 1 1 2523 2613 2071 1 1 1 1 1 1 2060 1790 1 1 1 2250 1 1 2273 1 1 1 1 2059 1 2139 2166 2227 2307 2147 2189 1 1 1 2504 1951 1 1 1 1938 1 1 1 2325 2604 2339 2150 2738 2865 1 1 1 1 1 1 1 1 2199 2330 1 1 1 1 1 2508 1 1 399.957 *399.9782* 399.9782@0.7566565 1 3119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 399.9782 *399.9833* 399.9833@0.7607411 1 1 1 1 1 1 1 1 1 1 1 2779 1 1 3906 1 1 1 1 1 1 1 1 1 1 1 1 3176 1 1 1 1 2924 2491 3107 1 1 1 3140 1 2323 1 1 3045 1 1 1 1 1 1 1 1 1 1 2882 2599 1 4067 1 1 1 1 1 1 2608 1 1 1 1 1 4527 4302 1 1 4057 1 3055 3766 2681 1 1 1 1 1 1 1 1 1 1 3688 399.9833 *399.9918* 399.9918@0.75895035 2076 1 1 1 1 3858 1 1 1 1 1 1 4550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 1 1 1 1 2656 1 1 1 1 1 1 1 1 1 1 1 1 1 3916 1 1 1 1 1 1 3656 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 3620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.9918 *400.0401* 400.0401@3.541378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.0401 *400.0845* C26 H12 N2 O3 2909 2932 1 1 4765 4169 8607 7957 2349 2023 4325 3845 1 2038 1 1 3634 3309 3628 3750 1 1 1 1 7068 6961 2098 2174 1 1 1 1 6443 6747 1 1 2332 2333 1843 1 1 1 1 1 4121 3923 1 1 1 1 5997 6124 1 1 1 1 2330 2085 1 1 1 1 1 1 6529 6809 4706 4485 1 1 1 1 1 1 1 1 1 1 1 1924 1 1 1 1 1817 1990 1 1 2742 3231 400.0845 *400.1062* 400.1062@2.8451366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14486 14821 1 1 1 1 400.1062 *400.107* 400.107@2.711062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6358 6753 1 1 1 1 400.107 *400.1147* 400.1147@1.2691572 4420 4012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3996 3883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.1147 *400.1824* 400.1824@1.2421086 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.1824 *400.188* 400.188@0.94321007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2436 1 1 1 1 1 400.188 *400.199* 400.199@0.917085 1 1 14633 14638 1 1 1 1 3084 1 1 7597 8418 4746 1 1 5386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4439 1 1 1 1 400.199 *400.2059* 400.2059@0.9207417 1 1 1 1 1 10905 1 1 1 1 1 1 1 1 1 1 1 8390 1 1 1 1 26712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2059 *400.2153* 400.2153@1.0287486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2153 *400.2188* 400.2188@0.9390829 1 1 1 1 1 1 15457 22837 1 1 1 1 11642 13033 32049 1 2768 1 4265 34610 1 1 1 1 1 1 1 1 1 1 20769 1 1 1 9689 9822 1 1 11449 2648 1 1 1 1 1 1 1 1 1 1 41156 1 26485 1 1 1 5533 1 1 1 1 1 1 1 1 1 1 13330 1 1 1 1 1 1 1 10214 1 1 1 23259 1 1 1 1 1 1 1 1 1 1 400.2188 *400.2258* 400.2258@0.9925732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2258 *400.2266* 400.2266@1.1084232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4219 8675 10449 8062 7997 1 1 1 1 1 1 2705 11096 1 1 35702 7087 1 1 1 1 2951 2639 1 1 11523 11456 1 1 3255 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6238 6183 1 1 1 1 1 1 1 1 400.2266 *400.2275* 7alpha-Hydroxy-3,12-dioxochola-1,4-dien-24-oic Acid 13443 13706 1 1 1 1 1 1 1 1 1 1 2968 3541 1 1 1 1 1 4495 19599 21218 1 1 15344 14621 28658 57901 46608 46987 1 1 83911 1 1 1 15601 1 3849 1 36921 40418 22990 21692 20843 22618 7823 1 1 1 39639 41927 1 1 4133 5629 1 1 26893 37448 1 1 1 1 21138 24892 1 1 17536 21906 1 1 1 1 10798 1 1 1 1 1 30201 26655 1 10898 1 1 1 1 1 1 400.2275 *400.2339* 400.2339@1.0668962 20991 19871 1 1 1 1 2586 1 1 1 3123 1 1 5371 1 3021 1 1 1 1 1 1 4781 4559 5215 1 11417 1 4323 5107 1 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2339 *400.2413* 400.2413@1.0386982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7882 7602 1 1 1 1 1 1 1 1 1 7962 1 5613 1 1 1 1 1 1 1 3525 1 2215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7667 6841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2413 *400.2458* 400.2458@1.1343096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2458 *400.2562* 400.2562@1.0856463 6527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 1 1 1 1 1 1 1 1 1 1 1 1 1 5020 1 1 1 1 1 1 1 1 1 3565 4630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2562 *400.2727* 400.2727@1.1274422 1 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3174 4306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2727 *400.2791* 400.2791@1.12339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2791 *400.285* 400.285@1.1307559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.285 *400.2931* 400.2931@1.119901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43393 1 1 1 3075 1 1 1 1 1 1 2300 1 1 2069 1 1 1 1 1 1 1 1 1 1 400.2931 *400.3084* 400.3084@1.0989496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5688 4802 1 1 3235 1 1 1 1 1 1 1 1 1 1 1 1 1 4907 3521 1 1 1 1 1 1 4919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3174 1 1 1 1 1 1 1 1 1 1 1 2571 1 1 1 1 1 1 1 1 1 5394 5219 1 1 1 1 3797 2836 1 4381 400.3084 *400.3097* 400.3097@1.0924385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.3097 *400.3161* 400.3161@1.0959853 1 1 2782 1 1 1 1 1 3372 1 5421 1 5158 1 1 1 2521 2298 1 1 4636 4447 1 1 1 1 1 1 1 7331 1 1 1 1 1 1 1 7971 1 1 1 1 2510 3070 1 1 1 1 3134 1 1 1 4340 6278 1 1 1 1 1 1 1 1 2800 1 1 1 1 1 1 1 1 1 1 4094 1 1 1 1 1 1 1 1 5903 1 1 6886 1 1 1 1927 400.3161 *400.3186* 1,2-Didecanoyl-glycerol (10:0) 1 3840 1 1 7436 7768 3944 5419 1 1 1 6008 1 3600 1 1 1 1 1 1 1 1 5433 6884 5265 1 6052 5086 1 1 2650 1 1 1 1 1 9113 1 5268 15071 1 6115 1 1 5774 7227 7564 6408 1 1 5914 6850 1 1 5167 1 5274 1 1 5293 5931 4233 1 2600 1 1 4549 6339 1 3925 1 1 2817 1 5560 1 6967 8052 5932 5643 1 1 1 3479 6130 1 1 1 1 1 400.3186 *400.9182* C9 H7 N O11 S3 2971 3141 8582 8378 5279 4852 1 1 1 1 3731 3833 4573 4593 6684 6825 6219 6511 3641 3425 4344 3855 1 1 4400 4083 1 3692 1 1 5532 5257 1 1 4527 4308 1 3407 5477 5779 2876 2828 4340 5063 1 3533 3710 1 5560 5422 1 1 5242 5240 4156 4592 1 1 1 1 5126 4580 1 1 1 1 3222 1 5658 5252 1 1 3819 3429 6471 6581 3201 3515 1 1 1 1 1 1 1 1 3634 3705 3234 1 400.9182 *400.9395* 400.9395@1.2403213 3519 3892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 3983 1 1 7558 3923 1 1 1 1 1 1 1 1 11736 10841 1 1 1 1 1 1 1 1 1 1 12567 14508 2992 2761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9113 3511 1 1 1 1 1 1 4321 4426 1 1 2684 3136 1 1 1 1 1 1 400.9395 *400.9396* C12 H14 Cl3 N3 S3 54843 49315 1 1 1 1 3162 3119 1 1 27431 28459 2983 3177 1 1 8687 3455 42327 42112 20736 21529 33109 32075 2105 1862 1 1 17207 16588 15853 16841 63241 81358 1784 1879 1890 2067 3566 6042 1 1 2317 2387 84043 87026 62121 68096 39308 39972 1 2771 6712 8360 11486 12051 42172 42131 30289 30211 1 1 2541 2458 1 1 15167 16200 1 1 67760 67344 12979 12052 10208 8022 11329 12380 78254 77781 36123 35936 56030 56369 26006 23232 1 1 33599 33067 400.9396 *400.9476* 400.9476@1.15339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 5031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.9476 *401.0213* C19 H15 N O3 S3 10323 10317 9372 9012 10351 11673 14958 15816 10055 10200 8382 9146 9393 9744 10210 11336 9469 9053 12649 12640 10045 10661 8498 8389 16132 14900 10903 12232 14006 13453 5909 6526 14096 12536 16479 16655 7793 7858 11127 11348 5575 5852 13884 13824 19682 18437 1 1 8253 8705 14328 14813 7181 7164 6537 6907 16950 17574 2871 2651 1 1 3229 1 8247 8297 11608 11727 8256 8695 7910 7666 8306 6406 8031 7639 11940 12466 11927 13076 12290 12244 10681 11359 14013 12364 2422 1 19610 21519 401.0213 *401.0622* 401.0622@1.397214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7585 6354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.0622 *401.1473* 401.1473@0.8118381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3217 1 1 1 1 401.1473 *401.1927* 401.1927@1.2042769 1 1 1 1 1 1 2017 1514 1 1 1 1 1 1 2604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.1927 *401.213* 401.213@0.9307624 1 1 1 1 1 1 1 1 1 1 1 3700 1 1 1 6097 1 1 6990 1 1 1 1 3637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.213 *401.2234* 401.2234@0.948726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4218 3443 9345 1 4360 11086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 1 1 1 1 1 1 1 401.2234 *401.2478* 401.2478@1.1223803 10695 10383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2478 *401.2546* C20 H39 N3 O S2 1 1 27292 28007 16048 20334 22487 21522 11041 13092 33997 32739 6288 6502 17021 12444 16170 16852 13012 10062 24748 24684 12845 13004 8461 8233 18506 12423 10705 9957 21749 27301 54322 67665 19726 20658 4518 4609 10468 20814 15881 29093 55731 55206 43055 42480 12391 10964 10490 17473 39970 39994 26573 27168 23096 23457 23952 23416 12941 16919 16139 14819 20560 20991 35647 36241 33263 32501 34624 35287 15087 9446 11867 12372 23772 23588 21121 20349 19437 20055 14471 14123 21082 19070 23769 21238 11770 14968 38864 39522 401.2546 *401.915* C6 H13 Cl3 N6 S4 1806 1706 1987 1800 2036 2087 2040 2065 1760 1948 1977 1726 2134 1998 2223 2138 2237 2167 2767 2872 2309 2169 2357 2241 2714 2772 2162 2488 2224 2234 2289 2180 2252 2210 2416 2469 1900 2414 2284 2472 1958 2329 2094 1957 2425 2313 2294 2280 2154 2475 2927 2787 2693 2565 2360 2246 2538 2472 2397 2515 2417 2173 2494 2687 2458 2505 2553 2685 2565 2207 2923 3155 2355 2399 2570 2452 2293 2439 2674 2406 2666 2720 2594 2899 2707 2692 3163 2813 2374 2613 401.915 *401.9579* 401.9579@0.7133973 1 1 1 1 1 1 4582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 401.9579 *401.9651* 401.9651@0.7148089 1 1 1 1 2354 2436 1 1 1 1 3069 1 2026 1860 1 1 1 1 1 1 1 1 2794 2483 1 1 1 1 1 1 1 2117 2106 2023 1800 1 1 1 1 1 4072 3551 1 1 1 1 1 3189 1 1 1 1 1 1 1 1 1688 1 1 1 2392 2141 1 1 1 1 1 1 1 1 3180 3498 1 1 1754 1879 1 1 1 1 1 1 1 1 4851 5063 1 1 2163 1955 401.9651 *402.0188* 402.0188@0.8199708 1 1 1 1 1 1 1 1 2908 1 1 1 1 1 1 1 1 1 3245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708 3618 1 1 1 1 2902 2298 13639 16423 1 1 1 1 1 1 1 1 1 1 3062 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15517 15655 1 1 1 1 1 1 3556 3783 1 1 402.0188 *402.0192* 402.0192@0.79237187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4462 4339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.0192 *402.0301* 402.0301@2.167 1 1 1 1 1 1 1 6410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.0301 *402.1317* 402.1317@0.71671957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4505 4611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.1317 *402.1865* 402.1865@0.9641171 1 1 1 1 1 1 1 1 1 1 2565 2068 1 1 1 1 1 1 1 1 1 1 4030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4610 1 1 1 1 1 1 1 1 1 1 1 1 3900 4229 1 1 1 1 402.1865 *402.189* 402.189@0.9586217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4489 3973 1 1 1 5679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3813 3725 1 1 3411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.189 *402.2039* 402.2039@1.1152492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2039 *402.2064* 402.2064@0.9483092 1 1 1 1 1 1 1 1 1 1 3696 1 1 1 1 4099 1 1 1 9743 1 1 1 1 1 1 1 1 1 1 1 1 3619 4967 6243 6691 1 5016 1 1 4898 1 1 1 1 1 1 1 3464 1 8616 7709 1 4771 1 1 1 1 1 1 4248 2728 1 1 5561 1 1 6179 1 1 1 5217 2401 1 1 1 1 1 5225 3912 1 1 3682 1 7078 1 1 1 1 1 402.2064 *402.2103* 402.2103@1.1566867 8116 7318 1 1 1 1 1 3629 3495 5346 3445 1 4715 1 1 1 1 1 1967 3299 1 1661 4134 4416 1 1 1 1 1 1 1 1 6099 4643 2261 1 1648 2394 1 2427 1 1 1925 1839 1 1 3454 3627 2327 1 1 1 1827 3530 1 1696 1 1 1 1 1 1 1 1 1 1 1 2785 1 1 6649 1 1 1 1 1 1 1 4710 1 1533 2376 1 1 2598 10406 3070 5525 1 1 402.2103 *402.2129* 402.2129@1.0777978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12530 1 1 1 3222 3002 3587 3514 4403 5382 5471 1 1 1 4444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 2834 2369 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2129 *402.2209* 402.2209@1.1182213 1 1 1 1 5518 1 1 1 1 1 1 1 2299 1 1 2918 1 1 1 1 1 1 1 1 1 1 2353 2779 2016 1 1 1 1 1 1 3076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2209 *402.2228* 402.2228@1.2038249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2228 *402.2335* 402.2335@1.0951927 15604 24141 3240 1 1 1 1 1 4197 1 1 1 10553 10896 1 1 1 1 1 1 1 1 1 1 4927 2635 1 1 1 3840 1 1 1 1 3768 1 7852 1 1 1 1 1 1 1 1 1 3537 1 1 1 2353 3266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5660 6197 1 3996 1 1 1 1 1 1 402.2335 *402.2375* 402.2375@1.0826315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14558 19975 1 1 1 1 1 1 1 1 1 1 17646 1 1 1 1 1 1 1 1 1 7794 7331 1 1 14007 1 1 1 1 1 1 4575 1 1 1 1 1 1 9528 7605 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2375 *402.2419* 402.2419@1.0906835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5673 1 1 15259 15700 14536 11497 1 20250 17465 19277 2025 1 1 1 1 1 1 6605 10389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 1 1 1 1 1 1 1 1 1 1 1 1 6820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2419 *402.2501* 402.2501@2.3536887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27367 30036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2501 *402.2507* 402.2507@2.4545927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2507 *402.2577* 402.2577@1.1258022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2577 *402.2947* 402.2947@2.0156069 4161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10741 10935 1 1 1 1 7681 8466 1 1 1 1 4923 1 1 1 10099 9315 1 1 1 7706 1 1 1 1 1 1 1 1 402.2947 *402.934* 402.934@1.2278738 5302 3755 1 1 1 1 13384 15728 1 1 1 1 2741 1 1 1 7659 3538 3399 3731 1 1 1 3708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3177 1 1 1 1 1 1 4004 4308 1 1 2625 1 1 1 40210 41923 1 1 402.934 *402.9398* 402.9398@1.1595663 1 1 1 1 1 1 1 1690 1 1 1 1 1 4001 1 1 1 3124 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1628 1 3059 1 1 1 2311 3200 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 3402 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2727 1 1 1 1 1 1 402.9398 *403.0125* 403.0125@1.141438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2964 4692 1 1 403.0125 *403.0713* 403.0713@1.2847185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3304 5354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.0713 *403.1631* 403.1631@0.6956309 5445 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.1631 *403.2188* 403.2188@4.8257556 1 1 1 1 5349 5396 1 1 1 1 1 1 1 1 1 1 1 1 4326 4855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.2188 *403.223* 403.223@1.1368827 8753 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.223 *403.9991* 403.9991@0.86087245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2714 1 1 1 1 403.9991 *404.0372* 404.0372@2.8436358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30101 31196 1 1 1 1 404.0372 *404.0406* 404.0406@2.708561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11048 11080 1 1 1 1 404.0406 *404.0609* 404.0609@1.1047019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 2484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.0609 *404.0723* 404.0723@4.6508794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.0723 *404.0799* 404.0799@2.65109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5662 1 1 1 1 404.0799 *404.0881* C18 H25 Cl O4 S2 1975 2171 2106 1836 2609 2599 2231 3234 2862 2009 2193 1990 1 1 3891 4258 3934 3454 2087 2142 2100 2099 1 1 5102 6551 2381 2684 2352 2734 1 1 1955 2174 1 1888 3304 2709 4854 4532 2424 2535 1 1 2910 2734 2492 1 3947 3364 1 1 5025 4947 2855 4359 2379 3709 3285 5022 1 1 2208 2358 1671 1 1 1 4065 2947 5402 4890 3360 2820 2135 1 1 1 4409 4132 4984 5888 2385 5005 5107 1 5743 5905 2864 2471 404.0881 *404.0881* 404.0881@2.651886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5286 1 1 1 1 1 1 1 1 1 1 1 10045 10393 1 1 1 1 1 1 1 1 9393 7470 1 1 1 1 1 1 1 1 404.0881 *404.1094* 404.1094@3.8505912 1 1 1 1 1 1 1 1 1 1 1 1 6968 7970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.1094 *404.1711* 404.1711@5.2311807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24072 24967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.1711 *404.1713* 404.1713@5.2979355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41264 42637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.1713 *404.2398* 404.2398@1.0274736 3388 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 3572 1 3940 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2398 *404.245* 404.245@1.0323925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.245 *404.2529* 2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic Acid 5830 5751 3417 3770 1 1 3496 3598 1 1 5689 5749 10553 10462 6112 5675 1 1 1 1 1 1 6546 6649 4656 5617 6678 6822 7779 8473 1 1 1 1 3430 3257 6419 6128 3404 3818 1 1 1 1 1 1 1 1 1 1 4015 4061 1 1 7533 7154 1 1 8535 8417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4054 3571 1 1 1 1 1 1 1 1 404.2529 *404.2535* 404.2535@1.323562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5333 5298 1 1 1 1 1 1 1 1 4950 1 6340 1 10571 11155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2535 *404.2555* 404.2555@1.1625009 25235 25108 1 6211 1 1 16052 15613 1 1 15215 14707 1 18026 40452 38404 1 3453 1 1 1 1 32703 1 44719 6294 1 6783 83796 82881 1 1 1 1 7595 7918 25644 26636 1 1 1 1 3686 3760 9974 10175 1 5791 1 1 36147 5841 1 1 20921 1 1 1 1 12312 1 1913 1 1 8646 8617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9491 9719 2723 1 1 1 1 1 1 1 404.2555 *404.2702* 404.2702@1.1434004 1 1 1 1 1 2775 1 1 4246 16709 1 1 1 1 1 1 4103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3354 1 1 1 1 1 1 1 4971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3533 1 1 1 1 1 1 404.2702 *404.2782* 404.2782@1.1475147 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4141 1 1 1 1 1 1 1 1 1 1 1 1 404.2782 *404.2979* 404.2979@1.9760809 1 1 1 1 1 1 4450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2979 *404.298* 404.298@1.1317736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2609 3822 1 4101 1 1 4753 1 1 1 1 5408 1 1 1 1 1 404.298 *404.3063* 404.3063@1.123202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6668 7291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4140 1 1 1 1 1 1 1 1 1 1 1 1 1 2666 4776 1 1 1 1 1 1 10749 7935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13734 404.3063 *404.3118* C26 H44 O S 97653 97836 124903 126568 88651 104084 181586 180263 128465 127211 96033 111927 146331 147150 171790 156140 107134 109925 223013 228291 185011 195782 196414 223937 206329 206036 167017 161749 198445 179314 133424 136082 111044 109950 112355 115798 116542 132043 161715 160427 133338 133780 122443 121872 145716 127097 135674 137610 131975 135149 206777 205894 156995 153714 126724 126812 162961 161302 163541 159918 89660 73414 73556 74407 119867 120895 116305 118246 112456 93660 174697 180051 101991 100211 122498 128384 121242 121708 188428 191169 188226 185444 116037 105783 185157 185268 343368 315809 137159 132037 404.3118 *404.9087* 404.9087@1.6270516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7330 7572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14676 11934 1 1 8894 10020 3624 1 3904 8732 10223 4858 1 1 1 1 15241 12595 8692 8153 1 1 3482 1 404.9087 *404.9319* 404.9319@1.2248367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.9319 *404.9933* 404.9933@1.2601309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40018 39440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.9933 *404.9942* 404.9942@1.1453348 1 1 14697 15661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43890 42667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.9942 *405.0056* 405.0056@1.1285362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.0056 *405.0244* 405.0244@1.1390464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2319 1 1 1 405.0244 *405.3096* 405.3096@1.1174786 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 405.3096 *406.0123* 406.0123@0.84429675 7897 7882 1 1 1 1 41302 40228 1 1 1 1 30492 31844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35902 35363 1 1 1 1 1 1 1 1 1 1 12183 13370 1 1 1 1 1 1 18011 18344 1 1 1 1 1 1 1 1 1 1 1 1 10985 10949 1 1 1 1 1 1 1 1 406.0123 *406.0986* C14 H21 Cl3 N8 1 1 7678 9454 1 1 13763 12475 1 13421 5907 6418 10532 9522 1 1 14780 15480 3851 2184 3941 2012 5104 1 1 1 1 1 1933 1412 1 1 2100 2124 1 1 1 1 1 1 1 1 1 1 1 1756 3916 10432 1 1 3860 1 1684 1888 1 1 1 1 1 1 1 1 2038 10977 2945 2461 4127 2082 1 1 2704 2557 1 1 2318 2135 1 1 1 1 1 1722 12871 1790 3301 1 1 1 1 1 406.0986 *406.1239* 406.1239@3.391881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1239 *406.1244* 406.1244@3.4271414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10341 18705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80739 80746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1244 *406.1245* 406.1245@4.2486725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6896 11188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1245 *406.1248* 406.1248@4.204192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7068 4317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1248 *406.1248* 406.1248@4.700805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1248 *406.1249* 406.1249@4.0338893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9655 10118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29946 29320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143117 135414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1249 *406.1996* Cortisone 5030 26541 6006 6007 6912 7770 3134 4315 6583 7421 15943 4619 9276 8858 7524 7641 5870 6457 7104 7036 7487 7986 6408 1 1 4368 1 1 1 1 10466 11225 8292 7708 4272 14812 1 1 10662 10104 8156 8322 12054 1 7444 7241 9080 9021 6572 6471 1 1 10099 9551 9760 9918 32053 31976 7003 7202 6872 1 5895 5612 1 4776 5188 1 9256 8774 9388 8027 4925 1 5756 19497 1 1 6013 17481 9539 10114 13632 12512 12561 12490 9542 11128 5792 6187 HMDB02802 C00762 406.1996 *406.2098* 406.2098@1.1810355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2098 *406.2296* 406.2296@1.1448668 1 8099 1 1 1 1 15809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2296 *406.2545* 406.2545@1.1922079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 15127 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2545 *406.255* 406.255@1.1824845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.255 *406.2627* C26 H34 N2 O2 14652 14639 1 1 6862 10198 1 1 7175 6696 1 1 1 1 3436 1 1 1 1 1 5512 5149 5525 1 1 12241 16093 16044 23476 21902 1 2462 3118 1768 1217 1 17849 18361 10901 8066 1 3282 1 1 4947 1949 1 1 1 1 1 13740 5237 6196 1 1 1 1 1 1 1 1 1 1 1 12483 1 1 1 1 1 1 2416 1 3797 3619 1 13247 1 1 1 1 1 1 5706 8437 11447 11791 4202 3593 406.2627 *406.2693* 406.2693@1.4476372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16696 15473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2693 *406.2696* 406.2696@1.2036487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44298 45138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2696 *406.2751* 3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid 1 1 16852 6501 9288 8305 12944 10026 8224 1 18370 16011 7811 7976 12489 16760 44488 1 1 7034 1 41992 15425 17396 11185 39556 11171 38060 17626 21403 11497 10996 28175 25505 35596 15997 10559 10508 9285 12221 14702 15090 3705 3288 15155 15140 12735 11547 12993 12811 17532 16470 84408 13043 13599 12874 7364 6991 12979 12814 12511 12498 7268 7547 144323 23557 14845 13224 9768 93976 1 24161 8059 8304 10122 9928 14067 13589 10712 12098 10336 11014 15744 13196 18664 18979 55597 29014 9273 11539 406.2751 *406.2796* 406.2796@1.0824561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2796 *406.3073* 406.3073@1.06536 1 1 1 1 29739 1 1 1 1 1 16003 1 1 1 1 29672 1 1 1 1 23684 1 37762 1 1 1 1 1 1 23403 1 1 1 1 1 1 15222 1 1 1 1 1 1 1 1 18934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16981 1 1 1 1 1 1 1 29487 1 1 1 1 1 1 1 1 1 1 1 1 1 14488 1 1 1 45075 1 1 406.3073 *406.3162* 406.3162@1.9757935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.3162 *406.3217* 406.3217@1.973769 1 1 1 1 1 1 7972 8050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2289 2521 1 1 1 1 2605 2394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2623 2733 1 1 1 1 2688 2898 1 1 1 1339 406.3217 *406.9056* 406.9056@1.625047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 3672 1 1 4410 1 1 1 1 1 1 1 1 1 1 1 1 406.9056 *406.9598* 406.9598@0.82393247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15426 13857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.9598 *406.9667* 406.9667@3.5647974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9952 10728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.9667 *407.0107* 407.0107@1.1275967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.0107 *407.0159* 407.0159@2.0539136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41983 42027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.0159 *407.0683* C12 H21 N7 O S4 1 1 12025 11759 7332 7304 7447 10966 1 1 1 1 5834 1 1 1 4185 1 1 1 6482 6508 1 1 1 1 18912 20745 22505 22866 13094 16096 16128 15045 7573 9881 28226 31209 1 1 14107 15121 20514 18912 5680 5752 6365 6169 4868 3781 20916 19266 21502 22363 5686 20343 1 1 9564 9973 4191 4454 18936 18010 4789 4555 13099 13323 5575 3922 1 1 4305 5108 12700 11769 1 3087 10017 9518 13345 16167 7225 7092 8092 4208 15370 15367 9711 10001 407.0683 *407.0691* 407.0691@0.7774967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.0691 *407.1064* 407.1064@1.0652883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11029 7766 1 1 1 1 1 1 1 1 407.1064 *407.1888* 407.1888@0.7253164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.1888 *407.196* 407.196@0.7252804 1 3690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6463 6168 1 1 1 1 1 4068 1 1 6456 6301 1 1 1 1 1 1 3684 3847 1 1 5288 5496 1 1 1 1 1 1 1 1 4475 4681 1 1 3847 1 1 1 1 1 4442 4024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5224 5272 3171 1 1 1 1 1 1 1 407.196 *407.2509* 407.2509@1.1836389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.2509 *407.2776* 407.2776@1.1161709 1 1 1 1 1 1 1 1 2642 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.2776 *407.2914* 407.2914@1.0733707 1 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.2914 *407.3096* 407.3096@1.0683733 1 1 1 1 1 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4208 1 1 1 1 1 1 1 1 1 1 1 407.3096 *408.0131* 408.0131@1.1323326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2333 5619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 9628 7735 1 1 1 1 4856 3127 1 1 408.0131 *408.0504* C22 H8 N4 O5 1859 2101 3443 2803 1864 1997 1551 1886 2520 2477 2455 2723 1760 1968 2796 2644 1733 1 4158 3795 2405 2399 2766 2841 2443 2201 2290 2409 2150 2221 1989 2056 1 1 1388 1721 1987 2128 1645 1896 2484 2364 2522 2440 1851 1897 2556 2265 3479 3450 2145 1882 2338 2282 3080 2694 2698 2570 2782 3216 2939 3161 2032 1947 1709 1 2104 2554 2996 2798 4357 4504 2308 2248 2375 2406 2864 3079 2505 2402 3014 3183 3953 3827 3415 3542 2377 2064 2937 2769 408.0504 *408.0906* 408.0906@0.9600387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6821 1 1 1 1 1 1 1 1 1 408.0906 *408.0918* 408.0918@1.1198823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 1 1 1 1 1 1 1 1 1 1 2182 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1 2955 4054 1 1861 1 1 2233 2069 1 1 2158 2055 1 1 1 1 1983 7268 1 1 1 1 1 1 1 1 408.0918 *408.1671* 408.1671@1.0627955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7782 8624 1 1 1 1 1 1 1 5043 1 1 1 1 2064 2478 1 1 1 1 408.1671 *408.1724* 408.1724@1.0396218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1724 *408.1758* C17 H24 N6 O6 14890 16052 10926 10561 7792 7456 5437 4751 7972 8905 9398 9280 11418 9864 10815 9009 6634 33712 12099 12984 5146 5246 7710 7045 7611 5827 8613 9220 7230 7560 3984 3640 2624 1 7630 6252 3062 1 4513 3820 8102 7043 5373 4638 4188 2022 4164 4161 5522 5453 5103 2927 4160 3340 3828 3527 2437 1 1 1 3389 3638 5366 5393 1 1 1 3448 2587 3719 4173 3115 4521 4608 3350 2686 1 1 2678 2230 1 1 2678 1 1 1 1 1 1 1 408.1758 *408.1934* C18 H28 N6 O3 S 18217 17936 1 1 1 1 5717 6226 4634 4514 7371 8204 8904 9308 11256 11373 5001 5005 9090 36200 9168 9514 13826 12773 20715 21009 16737 17673 31803 33968 4685 5287 6411 6665 7950 7921 19687 20367 10436 10562 27693 28291 6163 6482 8223 7682 10005 10386 5139 5035 25417 14677 8869 8652 17225 17604 7956 8500 15395 15245 20544 19610 10298 10291 9089 9640 9441 9339 11143 10982 16380 16051 11840 11006 9921 10067 11680 8869 9300 10370 29409 28385 14873 15379 13048 14077 14219 13341 12291 11916 408.1934 *408.1939* 408.1939@0.7325143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1939 *408.1947* 408.1947@1.0363935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 408.1947 *408.2046* 408.2046@1.0300996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5477 1 1 1 1 1 1 1 1 1 408.2046 *408.2135* C19 H32 N6 S2 30415 1 40004 40209 1 1 1 20467 43090 1 1 13694 34040 33316 38275 1 28405 27306 32884 32880 1 27403 1 14527 32587 30569 1 32517 18566 19666 34825 37113 1 21290 13910 1 1 1 33381 33610 43968 2372 37714 39282 1 22391 32599 1 30269 25187 40730 1 1 55250 45757 1 1 1 24459 20539 1 1 26377 28958 1 37343 1 1 26932 27008 1 24290 14844 14566 18513 1 37859 1 12095 1 58103 1 1 38164 1 1 1 1 1 19081 408.2135 *408.2416* 408.2416@1.155389 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2416 *408.2558* 408.2558@1.1720413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8349 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2558 *408.2609* 408.2609@1.1633945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4077 1 1 1 1 1 1 1 1 1 1 1 1 408.2609 *408.2845* 408.2845@1.3691964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2845 *408.2851* 408.2851@1.8111495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10378 7574 7340 1 1 108296 94605 1 1 22258 18906 1 1 1 1 1 1 1 32252 1 1 19596 21014 1 1 1 1 1 1 1 1 1 7408 1 1 27802 22969 1 1 1 1 25175 6857 190389 195088 4592 4832 1 1 7089 37856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13782 14913 408.2851 *408.2853* 3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3786 6449 28940 33222 19899 20608 1 1 8249 329788 1 1 44591 43518 1 1 1 1 1 1 91304 68378 10003 12007 46795 57968 1 1 10103 7629 1 1 8117 6942 24502 24338 1 1 50263 50849 1 1 12342 10515 63817 51811 23027 536297 18323 16809 1 1 79344 84056 1 1 1 1 11496 13338 1 1 1 1 1 1 1 1 34771 34152 408.2853 *408.2853* 408.2853@1.9423803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3405 3078 3624 2933 1 1 1 1 26608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2853 *408.2856* 408.2856@1.7137012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335466 32758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5789 1 1 1 1 5064 6161 476507 46985 1 1 1 1 6948 8316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2856 *408.2859* C19 H41 Cl N4 O3 19131 20657 1 24029 28298 28277 16111 15466 24230 23275 31779 29119 14990 16118 22255 18250 1 1 1 43508 37167 1 30465 31962 25687 1 26809 1 34168 43027 23546 20190 61875 60238 1 1 26838 29288 25687 26079 28659 28983 25242 27037 32011 30892 20570 21403 27198 26093 38143 37592 1 30034 25353 18594 26293 1 32697 31464 31280 28721 17186 15643 13892 77170 33701 37670 1 1 1 1 17984 18260 20266 20883 26537 1 18907 19115 23341 24013 27530 27274 39078 37694 1 1 33149 22161 408.2859 *408.2953* C19 H44 N4 O S2 1 1 1 1 2823 2215 11777 10917 3217 4148 4342 3831 1 1 1 1 1 1 2585 2188 3445 4122 1 1 1 1 1 1 1 1 1 1 1995 1735 1 1 1 1 2351 2632 1 1 1 1 3027 3053 1525 1 1 1 2760 2652 1 1 1 1 8667 9481 2300 2152 2222 2022 1 1 1 1 1 1 1957 3082 1 1 1 1 1 1 1 1 7136 6746 2645 2520 9259 8824 6674 7307 1 1 4012 4302 408.2953 *408.2954* 408.2954@1.0969343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29044 1 1 1 1 1 1 1 1 1 1 56985 1 1 1 1 1 1 1 1 67591 1 1 1 1 1 1 1 1 1 1 1 1 408.2954 *408.3106* 408.3106@1.0607712 1 5686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8055 1 1 1 1 1 1 8196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.3106 *408.3201* C16 H41 Cl N10 1 1 3172 1805 1 7746 4603 4186 6086 5539 8244 11315 4155 4157 6806 1 3312 4709 1 5893 1 5455 1 6969 8653 1 5263 5971 12549 12655 10348 13357 12314 11276 2389 4016 4006 3272 7762 7265 6397 6831 4428 17854 9763 10331 6446 11751 8685 8851 7774 7299 12742 17268 5724 6599 14280 13753 6066 6180 9522 10528 3165 2034 12444 11292 9985 8038 11829 1 11132 5921 2658 5197 4073 4167 12537 1 11240 11896 6352 5931 5901 6484 7028 6551 10322 1 5053 4870 408.3201 *408.9893* 408.9893@0.7884114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7325 6036 1 1 1 1 1 1 1 1 4336 4480 1 1 1 1 3500 3715 1 1 1 1 1 1 9848 10044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 1 1 1 1 1 1 1 1 1 408.9893 *409.0471* 409.0471@0.7427095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 2818 1 1 1 1 1 1 1 1 1 1 1 1 4150 4078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.0471 *409.0689* 409.0689@1.1374348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3916 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 1 2758 3039 1 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.0689 *409.0734* 409.0734@1.1366154 1 1 1 1 1 1 3375 3270 1 1 1 1 1 1 1 1 1 4093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.0734 *409.0815* 409.0815@0.9309484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 3158 1 1 1 1 1 1 5405 5713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.0815 *409.1762* 409.1762@1.0572264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4099 1 1 1 409.1762 *409.2166* 409.2166@1.202255 1 8262 1 1 1 1 3765 1 1 1 4624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7495 8019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5227 1 1 4614 4684 1 1 1 1 1 1 1 1 1 1 409.2166 *409.2889* 409.2889@1.7877754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19378 1 1 1 1 1 1 1 1 1 1 7608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.2889 *409.9182* 409.9182@1.1998279 1 1 1 1 1 1 1 1 1 1 1 1 4764 2394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.9182 *409.9289* 409.9289@0.68896943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.9289 *409.9321* 409.9321@1.1510413 1 1 1 1 1 1 4934 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.9321 *409.9735* 409.9735@0.7124666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6770 7109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.9735 *410.1173* 410.1173@1.6254472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6067 1 1 1 1 410.1173 *410.1491* 410.1491@1.3980703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14846 16024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1491 *410.1827* 410.1827@1.0492436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4198 1 1 1 410.1827 *410.1939* 410.1939@1.0123601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 1 5926 6352 1 1 1 1 1 1 1 1 1 5612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1939 *410.2226* 410.2226@1.1990844 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2226 *410.2282* 410.2282@1.2235631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3583 1 1 1 1 1 1 1885 6364 1 6760 1 1 2473 9705 1 1 1 3448 1 1 1 1 1 1 1 1 1 1 1803 1 1 1 1 1 1 6112 1 1 1 1 1 1 1 1 1 1 1 1 4092 4009 6864 4014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3925 3826 1 1 410.2282 *410.2505* 410.2505@0.7176418 3950 5065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2505 *410.2682* 410.2682@0.82434034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10571 10669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2682 *410.2738* 410.2738@1.1473826 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2738 *410.2877* 410.2877@1.120329 1382 1 1 1 1 1 1 1 1 5763 1 1 1 6377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3565 1 1 1 1 1 4783 1 1 1 1 1 1 1 1 7000 5032 1 1 12536 13445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5214 1 1 1 1 24727 1 1 410.2877 *410.3015* C19 H43 Cl N4 O3 18947 17184 11873 1 4896 29525 15092 16443 30196 24878 34758 34312 15447 9792 26446 26133 1 1 1 1 1 1 30088 30393 36663 29684 26909 25434 43654 46905 29436 1 98711 93161 1 13426 39223 30606 27501 29140 27140 26804 1 1 35398 29433 20510 20554 36996 35134 30028 31377 1 26572 22261 21350 1 1 29043 27981 25897 26780 16473 17155 1 105170 22426 51063 1 1 1 16009 10028 19647 17823 25377 32583 1 20955 22162 20546 21895 26366 30840 28546 28391 1 1 1 22749 410.3015 *410.3032* 410.3032@1.0909587 1 1 1 1 24395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35127 35724 1 1 1 1 1 1 1 1 27943 1 1 1 1 1 10600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10491 1 410.3032 *410.3297* 410.3297@1.0599391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.3297 *410.3366* C25 H47 Cl N2 1 1 2922 3531 1 9721 7706 3866 6567 5904 12120 11586 12463 3582 8854 1 4197 3786 6666 7113 1 5722 1 9978 27426 8447 7617 7926 1 17539 40529 11371 11916 10661 3938 4209 4691 5336 5886 5642 7964 7502 1 1 12207 12432 20480 1 9220 9742 11191 29856 1 1 7862 7719 1 1 7852 7990 8782 10306 5065 9597 8568 8201 6016 19209 13911 10811 3739 8643 3997 4207 18302 15762 12700 12756 10974 11499 7730 7487 6200 23257 16204 8310 11842 1 7527 7298 410.3366 *410.3465* 410.3465@1.04039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18422 19900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.3465 *410.9564* 410.9564@1.1152368 4478 4362 1 1 1 1 1 1 1 1 2324 2409 1 1 1 1 1 1 1 1 7216 7443 1 2573 2175 2130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4487 7207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.9564 *411.0425* 411.0425@0.85553455 1 1 1 1 1 1 27151 28392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.0425 *411.0544* 411.0544@0.90702695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10933 10992 1 1 1 1 1 1 1 1 1 1 4216 5087 1 1 1 1 3621 3903 1 1 1 1 1 1 1 1 3026 3875 1 1 1 1 1 1 1 1 1 1 411.0544 *411.0549* 411.0549@1.0499048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4295 4169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.0549 *411.0921* 411.0921@1.6107694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 3787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3278 3128 1 1 1 1 1 1 2854 3195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.0921 *411.1133* 411.1133@3.0199437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10467 8285 1 1 411.1133 *411.1657* 411.1657@0.95543873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 1 1 1 411.1657 *411.2423* 411.2423@1.2008005 2124 5028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2056 1987 1 1 411.2423 *411.2977* 411.2977@1.0944403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.2977 *411.3041* 411.3041@1.0965962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.3041 *411.3117* 411.3117@1.0769761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 411.3117 *411.9149* 411.9149@1.198796 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9149 *411.9246* 411.9246@0.69101787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9246 *411.9308* 411.9308@1.151 1 1 1 1 1 1 1 4043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9308 *411.9846* 411.9846@1.2038674 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9846 *411.9869* 411.9869@0.67439747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5813 5428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9869 *411.9918* 411.9918@1.2042961 1 1 1 1 1 1 13991 13932 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9918 *412.0717* 412.0717@0.83715016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 5529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 1 1 1 1 1 1 1 1 412.0717 *412.082* 412.082@1.5742222 1 1 1 1 1 1 1 1 1 1 47789 1 1 238598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10753 1 1 1 1 1 412.082 *412.113* 412.113@2.8319008 1 1 1 1 1 1 1 1 1 1 8875 9042 1 1 6432 8374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7217 6969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16823 16004 1 1 1 1 15221 14676 1 1 1 1 1 1 27321 30976 1 1 1 1 1 1 412.113 *412.1585* 412.1585@0.79232705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1585 *412.1644* C22 H33 Cl O S2 4638 4218 1 1 11458 11396 1959 1961 1 1 1700 3333 3423 1 2150 2860 1742 1703 1 1317 1 1 7339 6550 6272 5800 1104 1451 3021 2718 1 1 1 1 1 1 1 1 5116 4630 1 1 1930 1975 4882 4618 12577 11108 1 1 6097 7175 1 1 7542 8168 5214 5656 1 1 1 1 1490 1 1 1 6312 6204 1 1 3711 1875 1 1 5800 6826 1738 1949 1 1 1 1 1 1 1 1 1 1201 1 1 412.1644 *412.1728* 412.1728@0.96674305 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1728 *412.1814* 412.1814@0.94800645 1 1 1 1 1 1 1 1 1 1 7861 1 1 1 1 1 1 1 2707 1 1 1 4687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1814 *412.1884* C10 H26 Cl2 N14 5980 5800 1 1 1 2005 4966 1 7292 7576 1 4578 1 1 1 1 1 1 7555 10460 1 1 4795 10393 1 1 3454 8410 9599 19777 1 1 15850 17720 1 1 10196 10613 1 1 6966 6311 5581 8269 5950 11390 1 1 1 1 9051 8707 4680 11284 1 1 1 1 1 10456 8096 7468 1 1 8113 13965 1 6119 5690 3078 12118 12177 1 1 1 1 1 1 16898 9953 10596 10467 20833 18733 20280 19188 5377 7189 6652 1 412.1884 *412.1926* 412.1926@0.89599365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1926 *412.2075* 412.2075@3.215989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7993 8021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2075 *412.2079* 412.2079@3.1353972 1 1 1 1 1 1 6496 8760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18928 14513 34523 34471 1 1 1 1 1 1 1 1 1 1 1 1 11372 14095 1 1 1 1 1 1 1 1 1 1 412.2079 *412.2147* 412.2147@1.2120279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 1783 412.2147 *412.2256* 412.2256@1.2011365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 412.2256 *412.2382* 412.2382@1.2031167 4957 1 1 1 2037 2293 1 4132 3161 1 1 1 2437 1 1 1 1 1 3580 1 1 2526 1 1 3137 1 3216 3515 4715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3595 1 1 1 4713 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 2920 1 1 1 1 1 5234 4164 1 1 1 5153 1 1 1 412.2382 *412.2386* 412.2386@0.8755977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2386 *412.2404* 412.2404@1.2027966 1 2811 2453 2202 1 1 3602 1 1 4855 1 1 1 1 2324 1 1 3393 1 3995 1315 1 3910 1 1 1 1 1 1 1 2072 2497 5393 5131 1 1 4013 3940 1 1 3615 3572 3905 3117 2267 2692 1 1 1569 1 1 1 4166 3764 1 4736 1 1929 1 1 2073 1 1 1 2895 1 1 4062 1 1 1 1 1 1 1 1 1 1 1 1 4259 1 1 4084 4178 4684 1 4793 1 1 412.2404 *412.2524* 412.2524@1.0260955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2696 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 3382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2524 *412.2588* 412.2588@1.0254264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 2058 1 1 1 1 1 1 1 1 2992 3023 4084 4314 1 1 1 1 1 1 1 1 3292 1 1 1 3841 4141 1 1 1 1 1 1 1 1 4826 5334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2588 *412.2682* 412.2682@1.0165795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4949 6042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2682 *412.2809* 412.2809@1.0558285 5892 7988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6454 1 1 412.2809 *412.2947* 412.2947@1.1166323 3358 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 1 1 3877 1 1 1 1 1 1 1 1 4735 1 1 1 1 1 1 1 1 1 1 1 6346 1 5005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2947 *412.3072* 412.3072@1.1240658 1 57209 1 1 1 2837 1 1 1 1 1 1 7034 3095 1 1 1 1 1 3730 6246 1 1 1 1 1 1 1 1 1 5811 3641 6515 1 1 3966 1 1 1 1 1 1 4617 3345 1 9231 5337 1 1 1 1 1 1 1 1 3101 1 1 5014 1 1 1 2883 1 12204 1 1 1 1 1 4759 7250 5802 1 4765 1 1 1 6602 5928 5000 4005 1815 1 1 1 1 1 13217 5534 412.3072 *412.3178* C25 H40 N4 O 20378 1 1 1 17523 1 7171 1 27476 1 1 19059 1 1 22938 21439 18099 1 10887 13048 15802 7640 1 23216 1 15580 12517 1 100958 29613 1 1 51204 61672 1 1 1 48580 1 1 32437 1 1 1 1 1 1 1 1 1 14567 1 1 13899 13346 1 1 7535 1 1 24687 18473 1 10210 24298 1 33028 34064 13755 1 10564 1 20347 9941 1 1 1 5631 1 1 1 1 1 17496 26934 12150 12744 23848 1 1 412.3178 *412.3211* 412.3211@1.0835497 1 1 1 1 1 1 1 1 1 26526 23524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29677 1 1 1 1 1 1 1 1 1 1 1 1 1 412.3211 *412.329* 412.329@1.0761383 1 1 8537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8135 22096 1 1 1 1 15312 1 1 1 1 1 1 8221 9528 1 1 29888 24283 1 18173 1 1 36413 33343 1 14274 22117 21866 1 1 1 1 1 12516 34234 50305 1 38872 1 1 24146 1 1 1 1 1 19496 1 1 1 1 1 1 1 1 25720 1 1 1 1 18912 1 1 1 1 1 14730 1 412.329 *412.3359* 412.3359@1.0597653 1 1 1 1 1 1 1 1 1 1 1 1 1 9411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45153 1 1 1 1 1 1 1 1 1 1 9497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21038 28050 1 21457 1 1 1 1 1 1 1 1 412.3359 *412.35* 412.35@1.0456161 1 1 1 4090 15797 1 1 1 1 1 1 1 1 1 1 13074 1 1 1 1 8393 1 1 1 1 1 9930 1 1 1 1 1 1 1 3102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17843 1 1 1 1 1 1 1 1 1 1 1 1 1 11836 1 1 1 1 1 2325 3768 1 1 1 1 1 1 1 1 19129 1 1 1 1 8667 1 1 1 1 412.35 *412.3538* C25 H49 Cl N2 1 1 1 1 1 1 3160 2737 10124 10756 20956 16854 1 1 11766 1 7763 9513 9058 8507 1 5692 8167 9943 1 9126 1 1 1 1 1 1 23190 21207 1 1 1 1 2559 4460 13063 7925 1 1 17969 1 1 4495 17072 17236 1 1 7301 1 10217 8837 1 1 1 11879 13110 11659 1 1 1 10000 8148 7977 17361 21547 1 1 6437 5367 1 1 21006 18420 1 1 1 1 6742 7153 1 1 24765 23498 9966 1 412.3538 *412.3674* 412.3674@1.0358064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21843 20625 1 1 1 1 1 1 6569 7466 1 1 1 1 1 1 1 9215 3069 1 1 1 1 1 1 1 1 1 40274 39037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.3674 *412.3749* 412.3749@1.0283982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.3749 *413.0661* C15 H11 N9 O4 S 12420 15268 11869 11773 18035 19722 23581 20465 16863 17855 32636 16742 21361 17911 10831 13544 11226 16298 17491 21732 18643 18136 19976 15614 15719 9425 20176 22348 16523 15564 24162 22720 17788 20299 18723 25990 22929 20120 15279 18405 24703 25478 21191 24761 15210 15498 25543 21143 20088 17165 16300 23573 27984 20499 21781 16966 18342 19016 17632 13234 18887 21515 22394 14282 23298 14742 19454 22481 23253 26898 26986 29394 21459 18588 19805 17083 21598 21219 57260 18937 19907 19330 15053 62600 20990 21268 19435 20844 18461 24263 413.0661 *413.0752* 413.0752@1.6078701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.0752 *413.0755* 413.0755@1.5412264 1 1 1 1 1 1 1 1 1 1 3252 1 1 1 1 1 1 1 43650 1 1 1 1 1 1 17988 1 1 1 47806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5429 1 1 1 1 1 1 1 413.0755 *413.1006* 413.1006@1.2867652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4934 5098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3722 3884 1 1 1 1 1 1 5591 4967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.1006 *413.2317* 413.2317@1.027319 4148 3712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2317 *413.2903* 413.2903@1.9762703 1 1 1 1 1 1 1 1 1 1 6176 6644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4947 4136 1 1 1 1 1 1 9960 10834 1 1 1 1 4090 3858 1 1 1 1 1 1 1 1 1 1 3232 3427 3711 3594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2903 *413.2996* 413.2996@1.129427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2996 *413.3215* 413.3215@1.0914323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 6749 1 1 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.3215 *413.325* 413.325@1.0834012 1 1 1 1 1 7210 1 1 1 1 1 5664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3482 1 1 1 1 1 1 1 1 1 1 1 413.325 *413.3544* 413.3544@1.0451207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3281 1 1 1 1 1 4776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2975 1 1 1 1 1 1 1 1 1 1 3335 413.3544 *413.9725* C14 H6 O15 1 1 4555 5067 1 1 2473 2703 6150 5985 3333 3497 1 1 2805 2738 1 1 4415 4771 7099 7550 5891 6075 4434 4312 1 1 4111 4379 2629 2755 2669 2453 1 1 3793 3756 5880 5968 5496 4841 1 1 1 1 1 1 4023 3988 10644 11046 1 2176 3086 2583 1 1 6385 6648 2448 2300 1 1 2106 1 2593 2917 3762 4021 3084 3426 1 1 2870 2902 7346 7622 3615 4498 1 1 4205 4173 4418 4569 1 1 3328 3551 413.9725 *413.9884* 413.9884@1.2054938 1674 1 1 1475 1 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.9884 *414.0449* 414.0449@1.1247964 1 1 1 1 1 1 1 6956 1 1 1 1 1 1 1 1 3405 3447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.0449 *414.0607* 414.0607@1.8030441 1 1 1 1 1 1 4703 4671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.0607 *414.0728* 414.0728@1.4716648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5510 1 1 1 1 1 5331 1 1 1 1 1 1 1 1 1 1 1 1 2222 1 1 1 1 1 1 1 1 1 1 1 414.0728 *414.0806* 414.0806@1.5247808 1 1 1 1 1 1 1 1 1 1 1 1 5471 1 1 1 1 1 6325 1 1 1 1 1 1 1 1 1 1 1 1 3296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8466 1 1 1 1 6877 1 1 1 1 1 1 414.0806 *414.0993* Adriamycinone 1 2675 1 1 3680 3238 4915 4854 3962 3028 3162 1 1 1 3178 1 1 1 1 3497 1 3245 1 1 1 1 1 1 1 1 3460 2724 1 1 1 1 3858 3885 3388 3196 2966 3212 1 1 1 1 4040 3806 1 1 3496 2996 1 1 1 1 5696 4995 1 1 4057 4559 3131 2466 1 1 1 1 4027 3875 1 1 1 1 1 1 3629 3987 4657 4777 1 1 1 1 1 2777 1 1 1 1 414.0993 *414.103* 414.103@0.6913163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3254 2249 1 1 1 1 1 1 1 1 414.103 *414.1173* 414.1173@5.3860884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7824 7924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1173 *414.1259* 414.1259@1.04 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1259 *414.171* 414.171@0.8954627 1 1 1 1 8327 11067 1 1 24259 24240 31929 34047 37412 37131 1 1 1 1 1 1 1 1 85739 84789 1 1 1 1 1 1 1 1 65930 67251 40275 42031 1 1 9827 7607 1 15762 1 1 1 1 1 1 6495 5810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10514 10165 1 1 21838 1 44042 42638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.171 *414.174* 414.174@0.9062665 5692 4570 1 1 3414 1 1 1 1 1 1 1 1 1 4942 5151 1 1 1 1 1 1 1 1 1 1 1 1 9396 1 1 1 1 1 1 1 9874 11899 1 3100 11698 1 8831 8241 5155 1 5530 5661 2071 2056 1 1 4134 1 1 1 1 1 5924 1 1 1 1 1 6498 1 5086 4681 6343 6110 1 23356 1 1 4321 5406 1 1 1 6791 5215 5700 1 1 1 1 1 1 13098 14134 414.174 *414.1758* 414.1758@1.2098243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1758 *414.184* 414.184@1.2135204 2184 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 414.184 *414.1856* 414.1856@0.92403495 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2785 1 1 1 1 1 1 414.1856 *414.1884* 414.1884@3.69527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6139 5839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1884 *414.1966* 414.1966@1.1285337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1966 *414.2055* Met His Lys 38842 37133 17623 19007 22289 30398 28314 29023 1 41448 53579 48290 8923 8846 23904 21949 18044 16750 36552 42817 53150 53569 65239 65769 20543 21166 53183 51022 86896 82750 14132 14292 123434 127000 21836 20993 113888 115502 19776 19696 86800 84345 97662 100343 44235 42005 46915 43669 31587 30035 56377 55754 73419 73512 47936 49779 25774 26599 65284 63483 35065 33763 16632 16376 30427 31236 49330 49921 61176 60532 67499 76971 44680 44603 19702 18812 28074 28030 60725 65053 84302 86125 98034 96788 70274 68573 33982 33969 47420 44855 414.2055 *414.208* 414.208@1.1275336 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 3077 1 1 1 1 1 1 1 1 8904 7598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3585 1 1 1 1 1 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4513 4865 1 3744 1 1 4683 1 1 1 1 1 414.208 *414.2117* 414.2117@1.1274762 1 1 1 1 1 1 5836 4686 1 1 1 1 1 1 1 1 1692 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1 3197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3691 1 1 2906 1 1 2670 2615 414.2117 *414.2262* 414.2262@1.1363413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6114 1 1 1 1 1 1 1 1 1 1 1 1 1 9425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2262 *414.2287* 414.2287@0.8251035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2287 *414.2411* 414.2411@1.1327463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2411 *414.2613* 414.2613@1.0348783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2613 *414.2762* 414.2762@1.0455474 44832 42672 29114 7824 1 1 23806 24019 1 1 13556 13758 27384 27193 33222 31889 1 1 1 1 1 1 79826 17066 44939 36403 17935 17077 1 1 1 1 1 1 6234 1 1 1 1 1 1 1 1 69922 1763 1 1 1 1 1 1 1 1 1 1 65768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2762 *414.2789* 414.2789@1.1207674 1 1 1 1 1 1 1 1 1 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1879 1 1 1 10395 1 1 13066 13593 1 1 1 1 1 1 1 1 2644 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2789 *414.2908* 414.2908@1.0933907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2908 *414.294* 414.294@1.135056 1 1 1 1 1 1 1 1881 2384 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7179 1 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 11236 1 1 3328 4458 5846 1 1 1 1 1 22113 20923 1 3839 1 6093 9623 8888 1 1 1 1 1 1 1 1 7849 1 1 2294 1 1 1 1 1 1 414.294 *414.3* 414.3@1.1179103 1 1 2767 1 1 1 1 1 1 1 4213 1 1 1 1 1 1 1 1 1 1 1 5477 7802 1 1 1 1 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13545 1 1 1 1 1 1 1 2282 1 5675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 414.3 *414.3081* 414.3081@1.108724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15899 1 1 1 1 1 1 1 1 1 1 1 10124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.3081 *414.3172* 414.3172@1.083163 1 1 1 1 1 26106 1 1 1 1 1 1 1 1 1 1 1 9453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12897 7198 1 19184 1 1 1 1 20016 21420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19517 1 1 5613 1 1 1 1 1 1 25389 1 1 1 1 414.3172 *414.331* 414.331@1.0768391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71787 8423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25319 1 1 1 13634 1 1 1 1 1 11681 1 1 2582 1 1 1 6539 1 1 1 414.331 *414.3369* 414.3369@1.055721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51526 1 1 1 1 1 1 414.3369 *414.3421* 414.3421@1.0483942 1 1 1 1 1 87029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.3421 *414.358* 414.358@1.0379565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 414.358 *414.9905* 414.9905@1.1242814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.9905 *415.037* 415.037@0.7865849 1 1 1 1 1 1 4550 5132 2997 4118 10675 10913 1 1 3958 3285 1 1 1 1 1 1 1 1 16578 16394 1 1 1 1 4387 4618 3122 3190 4681 4620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3574 3219 5359 4871 7677 7444 1 1 1 1 11591 12120 1 1 1 1 1 1 11696 12166 1 1 9029 8861 415.037 *415.0665* 415.0665@1.083119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7377 2571 1 1 415.0665 *415.0669* 415.0669@3.7331357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4082 1 1 1 1 415.0669 *415.074* 415.074@3.7192621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7978 1 1 1 1 1 415.074 *415.0828* 415.0828@3.6587253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10815 13848 1 1 1 1 415.0828 *415.1728* 415.1728@0.9201076 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.1728 *415.2077* 415.2077@0.97583973 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2077 *415.2251* 415.2251@0.99948764 1 1 1 1 1 1 1 1 1 1 1 1 3261 3605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2251 *415.2607* 415.2607@1.0308567 1 1 1 1 1 1 1 1 1 1 1 3682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2607 *415.3048* 415.3048@1.9751142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3295 5746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.3048 *415.3218* 415.3218@1.159068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3160 3624 415.3218 *415.983* 415.983@0.7144357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2479 1639 1 1 1 1 1 1 1 1 1 1 1718 1585 1 1 1 1 1 1 1 1 2697 2214 1 1 1 1 1 1 1 1 1 1 1 1 2452 1835 1 1 1 1820 1 1 1 1326 415.983 *416.156* 416.156@1.1225271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.156 *416.1942* 416.1942@0.95924664 1 1 1 1 1 1 1 1 1 1 1 8325 4384 4616 1 1 1 1 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 4627 3743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.1942 *416.1966* 416.1966@0.97035503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.1966 *416.2023* 416.2023@3.5418754 6024 7075 1 1 1 6435 12144 10216 1 1 1 1 1 1 17469 16924 6572 5219 14005 13413 1 1 1 1 1 1 1 1 1 6517 1 1 12510 10847 1 1 1 1 1 1 11198 11921 1 1 1 1 1 1 1 1 9708 11200 1 1 7084 7787 8668 9993 1 1 1 1 1 1 1 1 7255 7316 7110 7198 1 1 1 1 1 1 1 1 18474 19595 1 1 1 1 21146 21539 1 1 4995 1 416.2023 *416.2215* 16a-Hydroxyprednisolone 16,17-acetonide 1 1 1 1 12011 1 30680 31195 12010 12155 16101 16755 5474 1 1 1 1 1 37606 36101 11453 13228 18610 18763 1 1 1 1 29882 32529 21382 20726 53383 50336 1 1 1 1 1 7183 1 1 11294 1 7666 9077 24114 29648 8941 10235 54619 31868 15554 12684 16237 1 12145 6484 1 9350 6028 6540 1 1 9415 7788 15202 16259 12732 11996 17805 20083 10045 9330 6452 7027 10152 10581 20290 20521 28351 32970 13695 14272 27642 26152 4473 1 25668 26851 416.2215 *416.2246* 416.2246@1.1137677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2246 *416.2319* 416.2319@1.075153 3671 1 1 10765 1 1 1 1 1 1 1 1 1 11925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3817 1 1 1 4403 1 1 1 1 1 1 30804 30303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2319 *416.2329* 416.2329@1.058466 19018 22998 1 1 1 1 1 1 1 1 1 1 1 1 16727 16616 1 1 1 1 1 1 1 1 10595 11156 19475 21284 1 1 1 1 1 1 15699 15504 31280 26652 1 1 5630 1 1 12847 1 1 1 1 1 1 2934 2542 1 1 18075 32375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2329 *416.2452* 416.2452@1.0595536 1 1 1 1 1 1 1 1 1 1 1 1 4983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2452 *416.2508* 416.2508@1.136429 1 1 1 1 3311 3343 1 1 1 1 4739 1 1 1 5406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 1 1 1 1 1 1 3502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2508 *416.2619* 416.2619@1.0696336 1 1 1 1 1 1 1 1 1 1 1 1 1 5639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2619 *416.2707* 416.2707@1.0779555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2707 *416.2771* 416.2771@1.0894531 6066 5281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10209 1 1 1 7334 1 1 1 1 1 1 1 1 1 6707 6061 1 1 6599 7677 1 1 1 5897 1 1 1 1 9146 1 1 1 1 9003 1 1 2316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2771 *416.2885* 416.2885@1.0868366 1 1 1 1 1 1 1 7375 1 1 1 5298 1 1 5985 6561 1 1 1 1 1 1 1 1 1 1 1 1 1 10671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28270 27700 11790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9539 1 1 1 1 416.2885 *416.2971* 416.2971@1.0892179 1 1 1 1 1 1 1 1 1 1 3806 1 1 1 1 1 3831 1 1 1 1 1 1 1 1 1 1 1 1 1 6896 1 1 1 1 6741 1 1 9560 9781 1 1 1 1 1 1 9009 7194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8994 6691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5451 10625 1 1 1 1 1 416.2971 *416.3097* 416.3097@1.0916929 1 1 1 1 7696 1 1 1 7010 7185 1 1 7514 5274 1 1 1 1 7141 7715 7641 10192 1 1 1 1 1 1 1 1 1 1 1 1 4677 1 1 1 1 1 1 1 1 5770 11049 1 1 1 1 1 1 1 1 1 1 1 8460 1 1 46891 1 5666 1 23152 1 1 1 1 1 1 12683 1 3837 29108 1 1 7650 7033 4844 1 11810 9501 1 1 1 1 1 1 5241 4734 416.3097 *416.3186* 416.3186@1.0910972 1 1 6988 6084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10351 35276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11997 1 1 1 416.3186 *416.3238* 416.3238@5.2089353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8440 8024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3238 *416.9347* 416.9347@1.5544082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4564 4908 16026 16365 1 1 1 1 1 1 1 1 1 1 19649 26877 11273 14075 1 1 1 1 1 1 1 1 7466 19211 1 1 1 1 1 1 1 1 1 1 1 1 5806 6684 1 1 1 1 1 1 20283 8120 13705 5077 4188 1 1 1 1 1 1 1 416.9347 *417.0263* 417.0263@1.1044213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5084 4755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7608 6507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7955 7945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.0263 *417.0718* 417.0718@1.07959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3902 3070 1 1856 1 1 1 1 3886 3641 1 1 1 1 1 1 1 1 1 1 2339 2372 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 1 1 1 1 1 1 1 1362 15833 1 1 417.0718 *417.0802* 417.0802@1.0769836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 1 417.0802 *417.1539* 417.1539@5.8769693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.1539 *417.211* 417.211@0.7111384 3518 8933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.211 *417.2171* 417.2171@1.0663439 40820 38566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.2171 *417.2175* 417.2175@1.0152607 9689 9637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 1 1 1 1 3298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.2175 *417.2262* 417.2262@1.0224751 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.2262 *417.2695* 417.2695@1.0920739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.2695 *417.2751* 417.2751@1.0885262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.2751 *417.296* 417.296@1.0926622 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.296 *417.3241* 417.3241@1.0929415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3048 1 1 417.3241 *417.889* C10 H7 Cl O10 S3 1 1 1 1162 1483 1369 1349 1553 1 1358 1 1 1333 1 1499 1450 1 1 1834 1589 1249 1506 1 1383 1460 1670 1448 1285 1561 1353 1351 1525 1 1606 1386 1386 1501 1 1 1473 1409 1466 1 1397 1321 1384 1 1772 1599 1622 1520 1758 1 1636 1278 1166 1524 1724 1478 1 1550 1654 1652 1925 1613 1551 1692 1593 1685 1 2098 1897 1 1387 1492 1719 1681 1651 1609 1600 1630 1 1884 1626 1494 1635 1796 1690 1504 1252 417.889 *418.0108* 418.0108@0.87049437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0108 *418.0183* 418.0183@0.8652599 1 1 1 1 1 2224 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0183 *418.0609* 418.0609@1.1869373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 1 1 1 418.0609 *418.0695* 418.0695@1.1721804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3793 1 1 1 1 1 1 3301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0695 *418.0774* 418.0774@1.3877475 1 1 1 1 11317 2556 1 2517 6639 2945 1 1 1 2725 2037 1 10847 1 1 1 1 1 1 1 1 1 1 1 7571 1 4740 1 7403 9096 1 3816 1 1 1 1 1 1 1 1 1 1 1 5544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5269 1 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5792 1 418.0774 *418.0777* C18 H10 N8 O5 1 1 54087 1 51467 30102 39313 45536 51124 1 32539 40857 1 1 23284 32820 42043 1 29803 39010 50351 49508 30807 30057 28638 29449 34365 33145 27657 33791 43402 32536 41195 41076 42116 38241 1 32479 32633 45985 1 26664 44060 52887 45949 21151 34097 30744 38886 43637 31436 35572 37385 51809 24704 34026 41327 37866 33933 42636 34570 43157 46602 46796 29538 25293 42961 27152 1 44382 1 1 30396 35500 45652 34805 36824 42347 22860 28354 34893 37106 44427 34163 26501 33369 43072 47327 42347 28652 418.0777 *418.0778* C26 H14 N2 O2 S - 2.0102444 1 7959 14898 12554 1 8220 1 1 1 1 1 1 1 1 6022 1 6501 7757 1 1 3490 10171 8907 6098 5143 8037 4487 9924 1 1 1 1 7078 8732 1 1 1 6008 9112 1 1 1 7368 8135 9450 1 9271 9499 9208 14536 9024 7013 1 5322 9055 10514 1 12745 13446 6989 1 1 1 10295 1 1 10247 1 1 5924 1 10630 1 8138 7180 11322 1 1 1 6340 1 10366 7868 12407 11004 9134 1 7900 1 1 418.0778 *418.078* 418.078@1.9707012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.078 *418.0781* C19 H14 N8 S2 9379 8464 8964 1 8843 6409 1 7497 1 1 1 1 8137 1 5557 1 5976 1 7617 1 9426 8372 1 1 6761 1 1 1 1 1 10422 11732 7163 7301 1 7476 9499 8723 9029 9130 1 5430 1 4538 8641 6878 9895 10870 7269 2917 11140 10260 8189 9176 1 5036 1 1 9556 1 1 1 1 1 1 1 1 1 6118 1 7815 1 1 1 1 1 1 1 1 1 1 8906 8488 1 1 1 14525 12052 4240 1 418.0781 *418.0781* 418.0781@1.4333282 1 1 1 1 1 4635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0781 *418.0782* C26 H14 N2 O2 S 18814 1 22972 23778 18916 21990 12661 11265 15990 16607 1 1 9254 9684 17537 20649 8833 13958 20420 12480 19920 22983 10739 19583 8374 1 19988 19428 10863 1 11187 9105 3218 17891 19168 24263 12834 12710 1 1 11996 19471 1 1 13563 10920 22612 19503 21450 23156 1 1 21024 16500 17268 18750 13220 17598 20041 21000 18112 18699 1 1 24098 20341 9783 6466 1 18033 12271 21549 20258 17351 12007 12167 17981 13701 1 1 1 12674 14403 20704 1 10743 9126 9467 11256 7496 418.0782 *418.0783* C26 H14 N2 O2 S - 2.0111873 28637 17103 11102 15235 20841 9000 29743 20433 8036 22720 27979 19637 25138 22160 13304 21810 13365 11537 22536 16952 18657 5485 7078 14444 15424 7490 18021 7025 16319 21091 8673 10184 11682 10678 1 1 22866 11265 7119 9524 18368 21474 13588 11957 6517 23176 11919 7239 11696 6624 9495 9655 11573 4561 7468 3644 24060 11828 10264 15005 17999 1 23448 5026 20746 12016 9592 17409 14119 11038 6439 8844 19317 11579 12293 9509 1 8233 23642 14270 21625 8367 11422 7893 12695 12383 17140 8825 23093 11288 418.0783 *418.0783* 418.0783@0.8765034 1 1 2638 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5403 1 1 1 418.0783 *418.0787* 418.0787@2.845235 6809 1 8044 5178 8295 1 1 9075 7822 1 9363 8169 1 1 1 1 12146 2674 1 1 1 1 9908 2328 1 1 6179 7382 1 1 1 1 1 1 11139 7240 1 6672 1 1 6524 1 1 1 1 6717 8044 1 1 6146 7463 6762 1 1 1 1 1 1 1 1 1 1 1 1 1 4783 1 1 1 1 1 1 5098 1 1 1 3123 1 1 1 1 1 6459 7011 1 1 1 1 1 1 418.0787 *418.0796* 418.0796@2.9293485 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 5027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0796 *418.0815* 418.0815@1.0672951 1 1 7415 4998 5863 4109 1 1 4859 5214 5021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5075 3913 4320 16811 1 1 1 6300 6148 1 8428 6267 5328 1 1 1 1 1 6525 1 1 5910 5244 7401 8365 1 1 1 7575 1 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3827 4962 4494 3605 1 1 3998 5188 4783 4549 1 1 418.0815 *418.1707* 418.1707@1.0709451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5921 8447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.1707 *418.2339* 418.2339@1.0215694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 1 1 1 4791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2339 *418.2362* 418.2362@1.1126783 1 1696 1 1 1 1 1 1 1 1 1 1 3431 3316 1 1 1 1 1 1 1 1 1 1 1 1 13121 1 16999 1 1 1 1 1 1 1 1 2972 1 4401 22620 19757 1 1 1 1 1 1 1 1 1 22832 1 1 1 1 1 1 1 1 1 1 1 1 6433 3084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2362 *418.2489* 418.2489@1.0295771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2489 *418.256* 418.256@1.171385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17461 1 1 1 1 1 1 1 1 4676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.256 *418.2605* 418.2605@1.0515373 1 1 1 4210 1 1 5210 5495 1 1 3769 4036 1 1 7568 1 1 1 1 1 1 1 4764 4229 3733 1 4356 1 1 8194 1 1 1 3360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3786 1 1 1 1 1 418.2605 *418.2652* 418.2652@1.0694461 2526 4303 1 1 1 1 1 1 1 1 1 1 7359 1 1 1 1 1 1 1 1 1 1 1 1 4059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 2686 5131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2652 *418.2808* 418.2808@1.096739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2808 *418.2913* 418.2913@2.5392253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2913 *418.2957* 418.2957@1.0918075 18618 23641 1 1 1 1 1 1 1 1 1 1 1 1 36458 56838 1 1 40664 39629 1 1 1 1 1 1 1 45710 45958 44702 1 1 1 1 1 1 1 1 1 1 38907 37715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6176 36779 1 1 418.2957 *418.3* C17 H39 Cl N10 1 1 19126 19291 37202 9084 30723 48655 29581 32568 32605 31828 22063 23074 1 1 17812 27900 1 1 37342 33390 39344 41781 85833 50209 41624 1 1 1 34251 1 1 22800 26836 25836 45916 45958 47344 47738 1 1 25130 25598 42296 61586 45919 46827 26499 1 43549 43332 33107 31698 26946 26706 18920 34337 39647 1 40627 29439 27716 1 76947 75520 34922 35033 33484 57401 37437 1 29936 1 25494 25921 40453 41274 39180 40867 37951 36689 58392 37634 73577 56168 45951 15489 30396 29996 418.3 *418.3055* 418.3055@1.070797 1 1 1 1 1 29088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.3055 *418.931* 418.931@1.5520469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4539 4734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10026 1 1 1 1 1 1 1 1 1 1 1 1 1 8988 9323 1 1 1 1 1 1 1 10474 1 5375 4157 4281 1 1 1 1 1 1 418.931 *419.0592* 419.0592@3.5630696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.0592 *419.0652* 419.0652@1.1746038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5106 5164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.0652 *419.0704* 419.0704@0.74509686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.0704 *419.0769* 419.0769@1.0804728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4904 5229 1 1 1 1 3137 1 3555 5338 1 1 1 1 1 1 1 1 1 1 5005 3520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 3449 1 1 1 1 3586 1 7741 1 1 1 419.0769 *419.0804* 419.0804@0.6601097 1 1 1 14382 1 1 1 1 1 3878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.0804 *419.0821* 419.0821@2.004176 1 1 1 1 1 6956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.0821 *419.1714* 419.1714@1.1035739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.1714 *419.2* 419.2@1.0647391 1 1 2810 3178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3200 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2 *419.2098* 419.2098@1.047563 1 1 1 1 1 1 1 1 1 1 4543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2098 *419.2261* 419.2261@1.041614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2261 *419.2289* 419.2289@0.6986325 13613 13308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2289 *419.2327* 419.2327@1.0427616 35738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 3814 1 1 1 1 1 1 1 1 3997 3817 1 1 13162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3807 1 1 1 1 1 1 1 1 1 419.2327 *419.2397* 419.2397@1.0433881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4799 1 1 1 1 1 1 1 1 1 1 1 13901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2397 *419.2648* 419.2648@1.1023672 1762 2847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2648 *419.3005* 419.3005@1.0992162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3005 *419.3085* 419.3085@1.0757685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5679 1 1 1 1 1 1 1 1 1 6440 1 1 1 1 1 1 1 1 1 1 8852 1 1 1 1 1 419.3085 *419.9785* 419.9785@0.8420334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2857 2727 1 1 3135 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 3842 1 1 1 1 1 1 1 1 1 1 2637 2868 1 1 1 1 1 1 1 1 1 1 1 1 6962 6691 1 1 1 1 1 1 1 1 1 1 1 1 419.9785 *419.9847* 419.9847@0.8395842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.9847 *420.028* 420.028@0.8655556 1 1 1 1 1 1 22338 22331 1 1 1 1 17952 19626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14137 13033 1 1 1 1 1 1 1 1 1 1 1 3189 1 1 1 1 1 1 9317 12984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5620 5452 1 1 420.028 *420.0477* 420.0477@1.5920914 1 1 1 1 1 1 3150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.0477 *420.0934* 420.0934@1.6115751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.0934 *420.0948* 420.0948@1.4005756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31502 30897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.0948 *420.1848* 420.1848@1.0839695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 4038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.1848 *420.2114* 420.2114@1.0537276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2928 1 1 1 1 420.2114 *420.2266* 420.2266@1.0790757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 3271 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 6516 6593 1 1 1 1 1 1 1 1 420.2266 *420.2276* 420.2276@1.0852364 5362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5354 5713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2276 *420.2305* 420.2305@1.0875155 1 8379 1 1 1 1 4261 4027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 3894 1 1 1 1 1 1 1 1 1 5049 1 1 1 1 1 1 1 1 1 1 1 1 3378 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2305 *420.2478* 420.2478@1.3195795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2478 *420.2494* 420.2494@1.2743115 1 1 1 1 1 1 1 1 1 1 1 1 3618 1 7917 3793 1 1 1 1 1 1 1 3383 2861 7350 15989 15700 16396 16671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11940 11844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2494 *420.2505* 420.2505@1.1919305 1 1 1 1 1 1 1 1 1 1 1 1 1 4413 7301 6670 1 1 1 1 1 1 4976 1 7340 7663 11190 12635 17029 1 1 1 1 1 1 1 1 3588 1 1 4652 4516 1 1 1 1 1 1 1 1 10047 11696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2505 *420.264* 420.264@1.1553416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34124 35144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.264 *420.2845* 420.2845@1.1533494 1 1 1 1 1 1 2956 1 1 1 2059 1 1 1 1 1 1 1 1 1 1 1 2217 3031 1 1 1 1 1 1 1 1 2374 2790 1 1 1 1 1 1 1 2574 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2845 *420.2881* 420.2881@1.1604784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 1 1 1 1 420.2881 *420.2943* 420.2943@1.1529934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2943 *420.3033* 420.3033@1.1621377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3852 1 420.3033 *420.3072* 3D,7D,11D-Phytanic acid 13357 7728 14729 16397 24238 24006 14685 1 30589 1 13469 17734 1 10451 39253 1 7401 1 41314 40870 29118 32098 19825 1 1 38262 25700 25527 37744 40353 30975 26167 1 1 23177 22484 25359 28777 29907 30452 16986 17467 21457 24083 18146 1 27845 28447 11349 12166 13830 9078 1 12701 10483 11450 28277 26889 30550 28055 1 17488 23668 24916 1 7972 20996 21516 25327 1 37405 37005 27592 26800 22478 15872 33791 31007 34408 35540 31460 34336 1 27217 1 34000 49070 48786 30694 33815 HMDB00417 420.3072 *420.3207* 420.3207@1.0850396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.3207 *420.3212* 1alpha,2beta,25-trihydroxy-19-norvitamin D3 / 1alpha,2beta,25-trihydroxy-19-norcholecalciferol 24984 28193 16064 16982 43358 43385 22013 23656 29002 32147 42007 37007 30770 23806 30969 30293 19551 17311 24193 24255 24972 25099 40463 41662 36780 37559 34344 34788 41202 39541 38856 37693 22159 48190 19607 19246 42019 41518 43294 43042 39022 37398 20943 18955 44147 43616 41290 39433 29518 29263 48039 51863 42804 36916 31366 29973 33277 34916 30635 30807 41438 45050 26549 26685 92629 51768 45420 44968 37678 37128 25155 1 22663 23648 26264 30267 41022 40607 34469 35534 29518 28784 32227 33098 48853 45427 33424 34163 23873 24954 420.3212 *420.9765* 420.9765@0.77684116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17920 12755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.9765 *420.9774* 420.9774@0.8795438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27695 29990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.9774 *421.0501* 421.0501@0.8482567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.0501 *421.0572* 421.0572@1.1440241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40937 40840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.0572 *421.0575* 421.0575@1.2626336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9436 8523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.0575 *421.0828* 421.0828@0.83311266 1 1 1 1 3371 5274 1 1 4141 8441 1 1 1 1 1 1 1 1 5364 1 1 1 12123 13105 1 1 1 1 1 1 1 1 1 1 3565 1 1 1 1 1 1 1 1 1 1 1 1 1 5812 4867 7193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 1 1 6978 7273 1 1 1 1 421.0828 *421.0847* C13 H23 N7 O S4 42254 43103 34211 37506 57726 56809 29889 34770 62343 58124 77254 74367 55617 58279 77012 75732 62892 64446 74776 72186 89927 88465 55219 54934 72397 79751 57394 55934 47112 47416 69289 70529 40800 35309 39092 47039 13646 14276 62655 67130 21214 24788 58998 59082 74376 71881 1 1 46025 47043 58610 64941 17371 14214 55571 54503 63531 66583 28649 26004 1 1 30248 29571 26217 30063 46786 44922 52034 36850 70337 68030 47850 48601 41609 44285 56068 61271 31600 33208 19119 20113 21313 21164 50974 48967 15395 16632 62567 56771 421.0847 *421.0847* 421.0847@0.79354334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.0847 *421.0864* 421.0864@1.0727983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3250 4028 1 1 1 1 1 1 1 1 421.0864 *421.1715* 421.1715@0.70662904 7228 7020 7096 6942 1 1 1 1 1 1 4844 4998 5711 5013 1 1 1 1 1 1 1 1 1 1 1 4133 1 1 1 1 1 1 1 1 6596 7840 4344 4726 3060 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 3293 7170 6984 1 1 9818 10474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.1715 *421.2909* 421.2909@1.126805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.2909 *421.3074* 421.3074@1.1186037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3074 *421.324* 421.324@1.0605156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.324 *422.0657* 422.0657@0.7166269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125443 119810 1 1 1 1 1 1 422.0657 *422.0685* 422.0685@0.7650788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13696 17968 1 1 1 1 1 1 422.0685 *422.1346* 422.1346@1.1415411 1 1 1 1 1 1 2478 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.1346 *422.1606* C12 H24 Cl2 N12 O 1 1 17953 17553 5678 9034 11648 14318 1 17686 6834 7047 19300 20315 1 1 23795 24013 1 1 1 1 1 16011 1 1 1 1 1 1 1 3035 5902 6833 1 1 1 1 1 1 1 1 5286 2813 1 2946 1 1 1 1 1 1 25218 26404 1 1 1 1 1 1 8796 1 11710 8356 4503 2837 12918 9913 2708 2833 19303 15118 9212 10005 15012 15570 2470 2394 1 1 1 1 1 13988 4563 9486 1 29236 9293 16907 422.1606 *422.1608* Losartan 7648 4221 1 1 1 1 47509 48527 17206 1 1 1 1 1 17271 12991 1 1 17624 23123 12808 12272 18327 111445 10225 11828 8766 7018 5888 7672 2637 1 1 1 7878 7452 1 1501 1 1 12451 12726 1 1 1 1 4808 5238 6964 12565 8710 9950 1 1 11834 11795 2777 2481 2541 2249 1 8689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 4506 2907 2788 16910 1 1 1 26833 1 1 1 C07072 422.1608 *422.162* 422.162@1.3804678 1 1 1 1 1 1 1 6614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24597 22916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.162 *422.1641* 422.1641@1.1976537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.1641 *422.1654* 422.1654@1.2797785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.1654 *422.1937* Ala Phe Trp 1 1 1 1 21807 20471 1 1 1 5127 4174 4081 1 1 5984 1 5045 5543 4603 5274 1 3411 1 1 8362 8909 1 1 1 1 4080 2789 1 1 1 1 1 1 9168 9705 1 1 7452 4868 9780 9429 19256 18872 1 1 14852 14346 1 1 16912 15898 12503 12001 3906 1 1 1 5656 5464 3708 2530 12161 13054 1 1 1 1 4407 1 12446 12330 6946 7561 5760 5568 5236 5624 7055 7920 1 1 6662 6088 4062 1 422.1937 *422.2003* 422.2003@1.2032377 1 1 1 1 1 1 1 1 1 1 1 1 3652 1 1 5863 1 1 1 1 3037 1 1 1 1 1 5701 6161 6171 6827 1 1 3053 1 1 1 4382 3714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3306 1 1 1 1 1 1 1 1 1 1 2705 2331 1 3697 1 1 1 1 1 1 1 1 1 1 4126 4689 1 1 1 4519 422.2003 *422.2115* 422.2115@1.2054435 1 5536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.2115 *422.2303* 422.2303@0.84373206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4044 4027 1 1 1 1 1 1 1 1 12744 12567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2779 1 1 422.2303 *422.2315* 422.2315@1.0292627 6166 7532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.2315 *422.276* 422.276@1.1365861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13680 10264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.276 *422.2896* 422.2896@1.1346738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9321 18535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9254 1 1 1 2057 8038 1 2768 1 10453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.2896 *422.2909* 422.2909@1.1265239 1 10113 1 1 1 1 3875 1 1 10048 4876 4115 1 1 1 8785 6520 4272 1 1 1 1 1 5474 1 1 1 4766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5718 5342 1 1 2826 7597 4338 1 3567 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 1 1 4065 1 1 1 1 1 1 1 1 1 1 1 1 8998 1 4761 1 1 1 1 1 422.2909 *422.3366* C26 H46 O4 49076 48013 36241 39304 60312 60242 37016 36186 43286 43691 53056 52096 30960 32289 42380 42393 30402 28098 37646 37462 41956 44509 47597 51326 51384 49640 37734 38098 61058 61493 55460 58995 59677 59599 40806 57267 53239 52272 56187 125380 53520 51586 51627 70229 54969 57335 95690 96330 42421 41787 68412 66974 69916 44237 40578 40972 57383 60842 42879 43978 50913 51120 47308 53522 36246 38114 93663 57858 55587 56181 48210 66553 32976 32221 37209 36269 58114 57929 45489 46159 37821 36633 42627 43138 86920 86317 58467 40877 62298 37165 422.3366 *422.3375* 422.3375@1.0592849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91455 133202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17760 1 1 422.3375 *422.9956* 422.9956@0.7998848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16332 19537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.9956 *423.0051* C21 H13 N O3 S3 11988 11668 13342 12395 11460 11788 7956 9264 10467 10319 6290 6300 9400 10119 12549 12276 9220 9009 11128 11357 12048 11078 6848 7776 13446 14435 12780 13114 14926 14102 6329 7859 10478 9913 16181 17540 7156 6974 14842 14339 10796 11254 16518 16453 18431 18496 1 1 17141 16672 1 1 9207 9395 9152 8991 17802 17389 3847 2643 1 1 7056 5840 6804 6462 9981 10184 11301 10469 7070 8068 8674 9593 10627 10892 12253 11820 18282 18811 11483 11286 13093 11693 9628 9352 2686 5311 17321 16736 423.0051 *423.0356* 423.0356@1.2790359 1 1 1 1 1 1 1 1 1 1 1 1 5108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.0356 *423.0655* 423.0655@0.74415827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3574 4312 1 1 4399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3338 1 1 1 1 1 1 1 1 1 423.0655 *423.073* 423.073@0.75405526 1 1 1 1 1 1 5029 1 1 1 1 1 1 1 1 1 1 1 1 4098 1 1 1 1 1 1 1 1840 1 1 1 1 1 1 5314 1 1 1 1 1 1 1 1 1 1 3418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 1 1 1 8165 1 1 1 1 1 1 1 2858 1 4252 4049 1 2510 1 1 1 1 1 1 1 3439 423.073 *423.1079* 423.1079@1.1188622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5015 5473 1 1 1 1 1 1 1 1 423.1079 *423.1468* 423.1468@1.1224794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.1468 *423.1648* 423.1648@4.457525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7226 8679 1 1 1 1 1 1 10147 10780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11466 12745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.1648 *423.3043* 423.3043@1.1188565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2370 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.3043 *424.0742* 424.0742@3.5058672 1 1 1 1 1 1 96010 95719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.0742 *424.078* 424.078@0.8413452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7150 8938 1 1 1 1 424.078 *424.095* 424.095@1.134 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.095 *424.1054* 424.1054@1.1715109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1054 *424.1313* 424.1313@1.1075228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6303 1 1 1 1 1 1 1 1 424.1313 *424.1387* 424.1387@1.1100929 1 1 1 1 1 1 1 1 1 1 2244 3748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6325 7022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6861 1 1 1 1 1 5872 1 1 1 1 1 1 1 7919 1 424.1387 *424.1516* 424.1516@1.1113275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6488 2934 1 1 1 1 8374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4164 1 1 2814 1 1 1 1 1 8146 1 1 1 1 1 424.1516 *424.153* 424.153@1.1150104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6003 1 1 1 1 1 1 1 1 1 1 424.153 *424.1744* 424.1744@0.9192506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3296 3746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18489 17793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1744 *424.1859* 424.1859@1.0593566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1859 *424.2124* 424.2124@0.72432905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2124 *424.2336* 424.2336@1.2064292 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2336 *424.252* 424.252@1.0268188 2321 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.252 *424.258* 424.258@1.1402211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.258 *424.2741* 424.2741@1.1906446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2741 *424.2863* 424.2863@1.1329085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3557 1 1 1 1 3933 5362 1 1 1 1 1 1 1 1 1 3177 1 2254 1 1 1 1 1 1 1 1 1 5095 1 1 1 1 2810 1 1 1 1 1 1 1 1 24825 28377 1 1 1 1 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 1 2572 424.2863 *424.2909* 424.2909@1.132208 1 1 1 1 1 1 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4419 1 3369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2909 *424.2994* 424.2994@1.1251999 1 1 1 2791 4410 8650 1 1 1 1 6429 5445 1 1 1 1 1 1 1 4270 1 2892 1 8123 5214 4752 1 1 1 9795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5683 6779 1 3452 1 1 1 1 3332 1 3582 1 1 1 1 1 1 1 3637 4038 1 1 1 31525 1 1 1 3331 1 1 1 2994 1 1 1845 1 1 1 1 4382 10804 1 1 1 3249 1 424.2994 *424.3068* 424.3068@1.1118913 1 1 5930 1 1 1 1 1 1 1 1 1 1 1 1 10393 1 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15342 1 1 1 1 1 1 1 1 5291 1 4339 1 1 3364 1 1 1 1 1 1 10188 1 1 21058 1 10034 1 1 1 1 1 1 1 1 1 6035 4188 1 1 1 3234 1 1 3573 1 1 3468 2914 1 1 1 1 5758 1 1 1 1 424.3068 *424.3194* 424.3194@1.1062034 1 1 1 1 1 1 1 1 1 1 1 1 6256 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 1 1 1 31175 1 1 1 1 1 1 1 1 6287 1 1 1 1 1 1 1 4322 1 1 1 1 1 1 1 1 5086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5212 3538 1 2889 424.3194 *424.3498* 424.3498@1.0520425 1 1 1 1 36104 35566 20187 19359 28567 28729 38775 37613 15419 16038 74488 70873 18030 17594 23186 24510 23523 23420 32120 32918 31129 29307 21680 21085 50553 48648 43234 45400 47475 46928 1 1 27852 29316 32015 1 32275 30971 1 1 41856 42239 1 1 32270 32577 41529 41572 1 22947 28940 30436 58728 58151 27897 30221 35524 34998 1 1 1 1 1 38663 41959 42099 1 1 20048 20101 21043 22667 44771 42995 33763 34426 25806 26604 59204 27637 1 1 32108 32367 1 55570 424.3498 *425.0421* C18 H19 N O5 S3 2150 1536 4043 2920 7185 7924 8903 9081 6769 6734 6525 6069 8337 8428 2043 3002 4445 4390 7459 7098 1497 1 9175 9472 1 1 1 1 4414 4732 1904 2848 6613 6120 3775 3654 1369 1 1 1 12173 12299 1 1 3435 3082 4740 5886 5446 5678 1 1 1463 1 1 1305 3304 2969 2891 2983 5522 5381 1 1 4422 5312 6572 6293 2237 1998 8000 7497 3671 3082 4923 4568 2036 2226 3988 4386 3818 4921 1 1 11607 11615 1 1 4275 3645 425.0421 *425.0602* 425.0602@0.7219516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2701 1 1 1 1 1 1 425.0602 *425.0709* 425.0709@1.1570704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6137 5794 3405 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3377 2939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2815 2461 1 1 1 1 1 1 1 1 1 1 425.0709 *425.0759* 425.0759@0.8864403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2749 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2988 3163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.0759 *425.092* 425.092@0.9562281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4070 1 1 425.092 *425.205* 425.205@1.1978436 1 1913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 2344 1 1 425.205 *425.2117* 425.2117@1.1997893 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.2117 *425.3244* 425.3244@1.0903398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.3244 *425.3517* 425.3517@1.0541968 1 1 3104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.3517 *426.0527* 426.0527@2.218 1 1 1 1 1 1 1 11596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.0527 *426.053* 426.053@2.2560296 1 1 1 1 1 1 51382 36852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.053 *426.1504* 426.1504@1.1203991 1 1 1 1 8882 8305 1 1 10239 1 1 8282 1 1 1 1 9421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1504 *426.151* Asn Tyr Met 2192 1 9581 8413 1 1 5186 5425 1 8510 7035 1 7176 8185 1 3494 1 6896 4170 1 3232 4785 3213 1 1 1 1941 1 1 1 3695 3424 3840 1 1 4085 1951 3381 3048 2781 1673 1 4454 3527 3720 3124 3672 1 1 2756 1 1 1 1 3340 3062 2621 2885 3168 3618 1 1 1 3198 1 1 1 1 2839 1 1 4990 2551 3677 3621 3344 2347 2234 1 1 1 1 1 1 1 4105 1 1 2699 2468 426.151 *426.1516* 426.1516@5.29943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 3354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1516 *426.1548* 426.1548@2.0443716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3021 1 1 1 1 1 1 1 1 426.1548 *426.1651* 426.1651@1.1358488 1 1 1 1 3138 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2240 1 1 1 1 1 1 1 1 1 1 1 1 3295 1 1 2088 1 1 1 1 4999 5188 1 1 426.1651 *426.1871* 426.1871@3.555254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11769 10764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1871 *426.1872* 426.1872@3.7742724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21049 19972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1872 *426.1885* 426.1885@3.0080588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4446389 4408828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1885 *426.2049* C20 H32 Cl2 N6 5047 5116 6881 6493 15169 14717 1 1 7914 8294 5632 5859 1 1 5452 5743 1 1 5978 5439 10921 10436 13916 13110 14552 14493 6484 6382 11141 11663 11463 12260 10536 9642 14125 13171 4756 4556 3130 3703 6943 7035 13779 13702 6190 6041 5637 11650 21699 21427 9136 8547 10378 9616 3627 1 1 1 1 1 5865 6228 1 1 4073 3460 16151 16410 3440 1 10611 10325 4433 4350 1 1 10716 10652 5570 5802 1 1 7562 7390 7330 6961 1 1 10279 10519 426.2049 *426.2558* 426.2558@1.1779882 4555 4293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3345 3205 1 1 1 1 1 1 9054 1 7465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2396 1 1 1 1 1 1 1 1 1 1 5261 4152 1 3318 426.2558 *426.2581* 426.2581@1.1872853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6376 2519 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.2581 *426.262* 426.262@1.167365 1 1 1 1 1 1 1 1 5237 4967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 4884 1 1 1 1 1 1 1 1 1 1 1 3751 1 426.262 *426.2631* 426.2631@0.8723831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58704 58362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.2631 *426.2772* 426.2772@1.1635008 1 1 1 1 1 2352 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 426.2772 *426.2986* 426.2986@1.1509992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1674 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6773 1 1 1 1 1564 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.2986 *426.3008* 426.3008@1.1276944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4691 4065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3008 *426.3121* 426.3121@1.0800908 4139 164383 1 1 1 1 1 1 1 1 1 1 1 1 4953 1 1990 1 104365 108635 1 1 6877 1 8914 8963 8010 1 61802 65523 1 1 29534 40038 1 1 1 5516 1 1 4016 4135 1 1 6939 8826 1 1 1 1 1 5584 1 1 1 1 1 1 1 1 14797 13419 1 1 20555 20002 24563 1 1 1 4815 1 1 3088 5852 1 1 2567 1 1 1 1 6947 1 1 1 1 1 1 1 426.3121 *426.3123* 426.3123@1.0939748 155191 1 1 1 4305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7432 1 1 1 1 1 1 1 1799 1 5324 1 1 1 2091 1 1 1 1 1 1 1 1 1 1 1 3600 1 1 1 1 1 1 1 1 4483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3123 *426.3195* C17 H43 Cl N8 O2 1 6415 1 3966 1 1 3071 3446 6418 5414 11184 8106 1 4493 4931 5295 1 2311 6817 5813 4319 5597 1 4402 6454 1 1 10367 1 10562 3893 1 1 1 1 4310 3921 1997 1 1 1 5655 1 1 1 1 4452 4461 6618 5253 5862 1 6430 1 1 3212 1 8582 1 6037 1 1 4179 1 1 1 1 1 14571 8750 1 5074 4727 1 1 5552 5012 1 3099 3465 1 3562 1 6675 1 1 1 1 6174 8313 426.3195 *426.3524* 426.3524@1.0649085 23984 24556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6392 12671 1 1 426.3524 *426.365* C25 H50 N2 O S 1 1 21744 21089 53588 53208 27268 26432 44134 44492 60527 60878 25278 25725 1 1 30647 28444 37241 45501 32743 35174 47364 46639 39593 39566 30200 26588 76508 74069 70915 71875 66378 65975 1 1 42235 44413 46298 1 51464 49190 26013 1 55105 59690 1 1 51291 49894 69659 71017 30871 29311 38398 37912 97834 71793 44201 45886 42096 43694 1 24237 58857 1 47798 49721 67725 69029 20727 1 31556 33518 40532 41134 66242 66339 51966 53149 46252 44677 1 32832 40392 40903 63086 55367 34030 1 426.365 *426.4348* 426.4348@2.9891815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.4348 *427.0558* 427.0558@0.88937616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3977 4142 1 1 1 1 1 1 1 1 1 1 427.0558 *427.0817* 427.0817@1.3968818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6506 7504 1 1 1 1 427.0817 *427.1058* 427.1058@1.6189591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4337 1 1 1 1 1 1 1 1 1 1 1 3545 1 1 1 1 1 1 1 1 1 1 1 3721 1 1 1 1 1 1 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5611 6150 1 1 1 3507 1 1 1 1 1 1 4264 4695 1 1 4245 5255 1 1 427.1058 *427.3674* 427.3674@1.0517316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3677 1 1 1 10016 1 1 1 5563 1 1 5721 5696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12544 1 1 1 1 1 5020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.3674 *427.3688* 427.3688@1.0447208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.3688 *427.8817* 427.8817@1.0334198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6744 14886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.8817 *428.1318* 428.1318@1.0995314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1318 *428.1327* 428.1327@5.2300735 1 1 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35232 36307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1327 *428.1327* 428.1327@5.2982483 1 1 1 1 4568 4105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65841 67219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1327 *428.1419* 428.1419@0.89362097 1 1 1 1 1 1 1 1 3057 1 1 1 1 1 2355 2088 1959 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5803 3964 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 4717 1 1 4249 1067 2723 1 1 1 1 6293 4892 3837 1 1 1 1 1 1 1 1 3823 2456 1 3613 1 3224 1 1 2896 1 1 1 1 1 1 428.1419 *428.1462* 428.1462@6.605894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3818 3786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1462 *428.1783* 428.1783@2.0757303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1783 *428.1816* 428.1816@1.1001331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2037 1 1 1 428.1816 *428.1836* 428.1836@1.9285749 1 1 1 1 1 1 1 1 4826 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 1 1 1 1 1 4957 1 1 1 5800 4756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 3992 1 1 1 1 1 1 1 1 1 1 1 1 1 4802 1 1 1 1 1 1 1 1 1 1 1 1 7829 7696 1 1 1 1 1 1 1 1 1 1 428.1836 *428.1846* 428.1846@1.7654219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10625 7419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11291 1 1 1 1 1 1 1 1 1 1 428.1846 *428.2149* 428.2149@1.0493288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2149 *428.2206* C17 H36 N2 O8 S 25299 25082 17964 19471 1 14526 1 14178 1 15192 1 13823 13462 14063 16874 16964 12345 11798 1 1 37390 1 74753 75359 1 1 1 48731 35156 34496 20038 22569 55238 56143 56066 57073 41155 41668 1 1 27131 27509 35404 36386 19994 19941 1 1 26673 25915 57303 58220 58022 57959 12323 12083 1 14729 1 1 22365 22971 19328 20200 1 1 44257 43250 1 13724 1 1 1 50483 12181 12088 21077 20468 24619 1 1 10569 1 1 21630 21779 1 1 42667 42952 428.2206 *428.2243* 428.2243@6.1548495 1 1 1 1 1 1 1 1 1 1 1 1 13981 14198 1 1 4771 5328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2243 *428.23* 428.23@0.8994068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16928 16269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.23 *428.2656* 428.2656@1.0849892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 428.2656 *428.267* C20 H37 Cl N6 O2 136234 137504 6348 6139 8750 8893 50335 51678 30845 31753 4142 3954 8869 8186 24564 24332 59166 61926 26885 24571 8638 8252 38469 35383 99273 107998 33052 33855 132637 124423 22275 21435 87514 83881 17022 16792 9702 10638 32207 37645 44620 46706 27373 26026 35838 36344 13076 12207 8588 8156 23585 23989 17133 17579 2635 3798 6028 7047 30948 35271 13383 13648 1 2025 135985 137639 148933 150216 14585 16136 5309 1 71046 71492 51724 53002 25964 27027 25098 23879 20387 22822 12932 12568 14209 13850 30056 30755 44986 43292 428.267 *428.2671* 428.2671@1.3160516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7357 8618 1 1 6987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15997 9371 9292 8395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2671 *428.2735* 428.2735@1.0860448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3904 1 1 1 1 1 1 1 1 1 1 1 428.2735 *428.2931* (23S,25R)-25-hydroxyvitamin D3 26,23-lactone / (23S,25R)-25-hydroxycholecalciferol 26,23-lactone 110955 103751 1 1 1 1 4846 4781 1 1 1 1 7261 9238 25531 22342 4466 1 1 1 1 1 16554 13315 24615 23176 45482 44994 37224 41618 1 1 1 1 1 1 39765 40382 1 1 79577 69268 4239 1 1 1 19566 18289 1 1 69669 67258 1 1 18846 18479 1 1 1 1 1 1 1 1 2730 1 1 1 1 1 2866 1 4446 6870 1 1 1 1 1 1 44523 44175 1 1 7022 3898 1 1 1 1 428.2931 *428.2987* 428.2987@1.0782684 1 1 1 6044 1 1 1 1 1 1 1 1 1 1 1 4948 1 1 8646 9799 8302 7569 1 6638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7861 5888 1 1 1 1 1 1 1 1 1 1 1 3971 1 1 1 1 1 1 1 1 6825 1 1 1 1 1 1 1 8345 1 1 1 1 1 1 1 428.2987 *428.3079* 428.3079@1.0924813 1 1 1 1 4888 1 1 1 1 4889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9366 1 15389 1 1 1 1 1 1 1 1 1 1 1 1 8979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4590 16535 13052 1 1 1 9135 1 1 1 1 1 1 1 1 1 1 1 1 1 8098 1 1 4467 1 1 1 428.3079 *428.3176* 428.3176@1.0686725 1 1 1 1 1 6727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7164 1 1 1 1 1 1 1 1 1 1 1 1 1 3683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2188 428.3176 *428.3264* 428.3264@1.0657842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4327 1 1 1 1 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7878 1 2595 1 1 1 1 1 1 1 1 15257 1 1 428.3264 *428.3365* 428.3365@1.0694501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 1 1 1 1 1 1 216770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.3365 *428.346* 428.346@1.0503287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.346 *428.9723* C21 H10 Cl3 N O3 1 1 1 1 2019 1805 4873 5244 8344 6630 2270 2332 1 1 1 1 14083 14192 1978 1 2214 2615 1 1 2502 1 1 1 1 1 13840 14453 15452 21480 36280 37501 1 1 25983 21650 1 1 9295 8980 14856 5864 11474 12536 17412 18316 1 1 22062 23984 13555 13735 20134 20574 27887 27353 13426 14678 2266 1968 1 1 9357 10958 17225 19248 3221 10847 10649 10603 15735 16386 21320 20118 17706 21609 26526 1 24542 24333 42501 42469 13377 14596 36730 34942 428.9723 *428.9888* 428.9888@1.1421351 12632 11827 1 1 1 1 1 1 1 1 1 1 2378 2685 2496 2513 1 1 1 2098 1 1 1 1 1 5570 1 1 1 1 1 1 1 1 1 1 18836 9960 1 1 29890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25332 1 1 1 1 1 1 1 1 428.9888 *428.9891* 428.9891@1.1523606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.9891 *428.9922* 428.9922@1.148351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 30969 1 1 1 1 1 1 1 1 21624 16637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.9922 *429.0941* 429.0941@1.173833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.0941 *429.1813* 429.1813@0.79480445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3792 4492 1 1 1 1 429.1813 *429.2091* 429.2091@0.77111924 3807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.2091 *429.2125* 429.2125@0.6944748 20540 23672 1 1 1 1 1 1 1 1 1 1 1 1 4955 5147 1 1 1 1 1 1 3692 3198 5340 5332 4194 4384 5352 5910 1 1 1 1 1 1 5187 5049 1 1 1 1 1 1 1 1 2137 1 1 1 5438 5279 1 1 3212 3304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 4242 1 1 1 1 1 1 1 1 429.2125 *429.8787* 429.8787@1.0329187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20996 4508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.8787 *429.9359* 429.9359@1.1530414 1 1 1 1 1 1 4224 4128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.9359 *430.0085* 430.0085@3.6667225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105301 103567 1 1 1 1 430.0085 *430.1285* C20 H30 O4 S3 1 1 4796 4553 1 2346 1 1 5714 6626 10901 14558 1 1 6674 6558 1 1 5900 5725 5383 6207 1 1 1 1 1 1 6126 4871 16134 16652 1 1 1 1 9035 8407 6797 8058 4343 3253 1 1 9277 9048 4175 3911 1 1 8568 7896 1 1 4725 4415 21960 22603 1 1 6200 6904 6625 5594 21409 20792 1 5631 4806 3120 1 1 1 4171 4678 4888 1 1 15125 16892 15869 15096 1 1 35860 37432 1 1 4638 5151 430.1285 *430.1351* 430.1351@1.4179438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.1351 *430.1522* 430.1522@1.4976205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3726 1 1 1 1 1 430.1522 *430.1649* C24 H22 N4 O4 1 5760 1 1 5679 4989 1 1 6858 9217 8877 17629 4619 1 1 1 1 1 3420 3800 1 1 11950 12743 1 1 1 1 1 1 1 1 4737 5409 5836 1 8368 6003 6536 7646 6417 5353 1 1 1 1 6092 5435 9444 9572 1 1 1 1 1 1 1 1 4679 1 1 1 1 1 6225 5454 3788 7431 1 1 5551 5278 6646 5816 1 1 1 1 1 1 1 1 1 1 4583 7268 1 1 1 1 430.1649 *430.1655* C25 H18 N8 14320 12770 1 1 1 1 1 1 1 1 88509 90644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81652 82334 20061 19637 57016 55866 71896 72651 1 1 1 1 1 1 1 1 51705 54811 1 1 1 1 1 1 1 1 18130 1 1 1 1 1 94957 93226 43799 46737 1 9568 46039 29058 30668 32549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.1655 *430.1672* 430.1672@1.2740562 1 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.1672 *430.1677* C18 H22 N8 O5 15519 16277 1 1 37486 33787 8188 8319 68870 68319 1 1 26367 25551 1 1 1 1 37602 37162 1 1 72938 75809 1 2189 1 1 34063 30573 1 1 1 1 1 1486 1 1 1 1 28628 32867 26563 29524 18386 19034 33771 35090 1 1 1 1 20149 18779 1 1 1 1 4277 17621 10749 11808 2884 4199 1 1 1 1 17717 8139 1 16776 1 1 14069 13411 9600 9367 14427 17449 1 1 9797 1 35915 36716 1 8451 11780 13944 430.1677 *430.1827* 430.1827@1.1273074 1 1 1 1 1 1 10040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6366 1 1 1 430.1827 *430.1912* 430.1912@1.1260928 1 1 1 1 1 1 7500 18057 1 1 1 1 14352 14429 1 1 10396 12026 1 1 1 1 1 1 33635 6914 15423 16771 1 1 1 1 1 1 7198 7358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14796 22525 1 1 1 1 1 1 9565 1 1 1 1 1 2388 1 2347 1 430.1912 *430.2004* 430.2004@1.9730902 1 1 1 1 1 1 1 1 1 1 1 4548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2004 *430.2032* 430.2032@1.0232141 1 1 1 1 2991 1 1 1 1 1 1 1 1 1 6061 1827 1 1 1 1 6403 1 4265 1 1 1 3462 1 1 1 1 1 6553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 6839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 5644 8603 1 1 1 4090 430.2032 *430.208* 430.208@1.0356696 1 1 1 3917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9000 1 1 1 1 1 1 1 1 6466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 430.208 *430.2177* 430.2177@1.0814285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2177 *430.2191* 430.2191@1.0081279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2191 *430.2585* 430.2585@1.0343798 1 1 1 1 1 1 7231 7606 1 1 1 1 4855 1 1 1 1 1 1 1 1 1 5627 1 1 1 1 1 7693 1 1 1 1 1 1 1 4653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8427 1 1 8703 9194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1 1 1 1 1 1 430.2585 *430.2671* 430.2671@1.0381528 1 1 1 1 1 1 1 1 1 1 1 1 1 5027 8115 7241 1 1 1 1 1 1 1 1 9533 1 1 4604 1 1 1 1 1 1 1 1 1 4561 1 1 1 1 5810 6598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2671 *430.2674* 430.2674@1.025376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2674 *430.269* 430.269@1.0678227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3200 1 1 1 1 1 1 1 1 1 430.269 *430.2759* 430.2759@1.0511392 12049 12285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4289 1 1 8850 8255 1 1 1 1 1 1 1 1 1 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2759 *430.2889* 430.2889@1.0723827 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2889 *430.2968* 430.2968@1.0726887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 1 1 4695 5337 1 2672 1 1 1 1 1 1 1 1 1961 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2968 *430.3063* 1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferol 32704 46077 39145 47178 11691 44697 18371 9419 57984 48214 31715 29848 20316 1 36349 26825 59958 60426 30662 31067 27402 29560 13961 33148 10764 9987 46723 45027 16249 15648 22903 49127 30006 16215 23891 33636 53911 48466 45275 35600 42406 38698 27433 35224 49820 43386 39458 27691 41410 27401 39679 59139 46848 29284 19233 50539 55670 47350 51445 45897 56718 53766 27538 29437 16161 13036 35991 38685 11715 10130 39868 39932 13460 45107 11608 21917 31450 15216 29235 30089 44072 43465 50440 16107 50585 50964 59819 62517 55649 56885 430.3063 *430.9698* 430.9698@1.1393915 1 1 1 1 1 1 5493 5192 1 1 2658 1 1 1 1 1 1 1 1 1 2082 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.9698 *430.9771* 430.9771@1.1395203 1 1 1 1 2008 1 1 1 1 1 1 2516 3565 2598 3806 3559 1 1 1245 2009 1 1 1 1 2259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.9771 *430.9907* 430.9907@1.1447184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 3815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.9907 *431.0183* 431.0183@0.84564114 6348 6262 1 1 1 1 16018 15275 1 1 1 1 8562 8704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13627 12820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2168 1 1 1 1 1 20758 20839 1 1 431.0183 *431.0424* 431.0424@1.1056877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.0424 *431.1741* 431.1741@1.0761545 1 1 1 1 1 1413 1 1 1 1 1 3766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.1741 *431.2522* 431.2522@1.0440762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3172 4801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.2522 *431.2595* 431.2595@1.1768687 1 1 1 1 1 1 1 1 1868 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3841 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 431.2595 *431.2738* 431.2738@1.204746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.2738 *431.8751* 431.8751@1.0334198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3805 9318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.8751 *431.9297* 431.9297@1.1545415 1 1 1 1 1 1 2156 2114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.9297 *431.9608* 431.9608@1.1118369 2424 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2682 2046 2830 2561 6483 7068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4281 4336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.9608 *431.989* 431.989@1.2081857 1 10369 1 1 1 1 1 1 1 1 1 1 2006 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 8845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 2273 2366 1 1 1 1 1 1 1 1 1 1 1 1 4698 4924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.989 *432.0638* 432.0638@0.7887748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4607 7046 1 1 1 1 1 1 1 1 4403 4812 1 1 1 1 1 1 1 1 1 1 1 1 7122 4656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.0638 *432.1437* 432.1437@0.8313573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.1437 *432.1805* 432.1805@1.0739002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.1805 *432.1873* 432.1873@1.1019237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14760 1 1 1 1 1 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.1873 *432.1902* C23 H24 N6 O3 32260 32507 46793 46140 34997 33673 49682 54006 61433 61958 46684 44971 38065 37629 31684 32114 33949 34753 37655 42582 26219 27043 59491 57635 1 30736 27031 27535 29081 28647 15123 15056 37428 35906 19214 20810 11988 11306 16539 16120 44750 44596 13113 11640 16303 16531 16645 18610 34115 35041 40107 39416 39707 39646 30377 31170 18904 19206 12262 13142 33549 33556 26859 27743 12721 2292 50417 45987 13947 16005 38446 32448 26298 20524 42113 42298 15220 15581 31509 33550 16542 16280 37229 35904 30105 33992 44069 44295 33081 34306 432.1902 *432.2064* 432.2064@1.2942152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3487 6590 1 1 1 1 1 1 1 1 1 1 1 1 6201 1 1 1 1 5736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2064 *432.2122* 432.2122@0.70220053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7580 8207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2122 *432.241* 432.241@1.2025634 1 1 1 1 1 1 1 1 1 1 1 1 1949 1 1 1 1 1 1 1 1 1 3698 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.241 *432.2553* 432.2553@1.1868209 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 3962 3152 1 1 1 1 1 1 1 1 8094 1 4947 5180 1 8624 1 1 1 1 1 1 2591 1 1 1 1 5169 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2553 *432.272* 432.272@1.0250297 1 9151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.272 *432.2769* 432.2769@1.0372992 4985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2769 *432.3007* 432.3007@1.1099342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4629 1 1 1 1 1 1 1 1 1 1 25311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3007 *432.3087* 432.3087@1.1683954 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 1 1 10882 1 1 1 1 1 1 12760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14107 14422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3087 *432.3121* 432.3121@1.1161135 11897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13481 9770 1 1 1 1 1 1 1 1 101899 25903 1 1 1 1 1 1 1 1 1 1 12774 10497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13336 1 1 1 1 1 1 1 1 1 1 7436 1 1 1 1 1 1 1 1 1 11259 1 1 1 1 1 1 1 1 1 1 1 432.3121 *432.3177* C23 H40 N6 O2 15894 12677 9042 7846 32536 1 9317 12141 1 16302 16931 16838 10782 3558 12215 14107 9405 6571 14986 18981 20777 25115 18699 18081 20829 37407 19964 7667 23829 32678 19179 11936 16332 38662 16210 7516 61437 46366 8639 7636 16622 11583 27615 20554 12486 12365 9505 9740 13831 9184 1 1 10009 14501 21092 1 10989 11792 14650 15362 5262 8185 8802 5236 1 83071 1 1 10806 19297 37190 26079 21306 1 23199 22360 28047 27580 12216 23518 12537 20801 1 23724 14745 13482 11157 15576 1 1 432.3177 *432.3184* 432.3184@1.148111 1 1 1 1 1 1 1 1 1 1 8194 9126 1 1 10919 11590 1 1 14163 14516 7484 1 7749 22885 1 1 1 33514 28772 24160 1 1 16807 1 7226 1 1 1 1 8482 15999 13438 1 1 1 1 1 11520 1 14007 1 1 1 14557 1 1 1 1 1 1 1 1 1 1 91286 1 1 1 1 1 1 1 10975 1 1 1 1 1 1 15069 32218 16191 1 1 1 1 1 1 1 1 432.3184 *432.3241* (20S)-1alpha,20,25-trihydroxyvitamin D_3 / (20S)-1alpha,20,25-trihydroxycholecalciferol 1 1 4697 22025 59286 60196 55152 25736 36993 10387 17463 18172 24951 46788 1 1 29230 23142 1 1 47755 16819 73023 1 24191 21693 1 1 1 1 16523 103582 35230 14334 1 1 1 1 68080 56293 1 1 10195 42367 81216 23102 65780 47954 13845 56957 77024 70565 56264 44890 10642 11035 119379 17477 17393 17341 65584 17094 30129 41886 39215 66370 16102 16613 13648 13584 21036 33739 13333 41184 10039 35750 112325 21305 64446 67251 15788 16237 47462 52910 57216 70756 81361 49128 8462 26291 432.3241 *432.9652* 432.9652@1.1327295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 432.9652 *432.9726* 432.9726@1.1380743 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1 1 1 432.9726 *433.0558* 433.0558@0.72649145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5638 6467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.0558 *433.0807* 433.0807@0.73773694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.0807 *433.1946* 433.1946@1.1514493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4258 1 1 1 1 1 5559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2653 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.1946 *433.2092* 433.2092@2.2126768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7138 10100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2092 *433.2094* 433.2094@2.0273097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17857 38999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2094 *433.2579* 433.2579@1.2054286 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2579 *433.3165* 433.3165@3.0756896 1 1 1 1 1 1 1 1 2895 1 1 1 1 1 1 1 3249 4814 6314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5952 8011 1 1 1 1 1 1 1 1 1 1 1 1 4867 1 433.3165 *433.3167* Lithocholic acid glycine conjugate 6033 1 1 1 1 1 10406 9798 16887 19932 1 1 1 1 16508 15976 16106 15602 29575 26777 1 1 1 7653 1 1 8122 12743 1 1 23896 26613 10505 9869 1 1 1 1 10745 5802 1 1 1 1 10402 10881 1 1 14665 17682 1 1 1 1 1 1 1 1 1 1 10228 9947 1 1 1 1 12227 8821 1 1 9701 9482 8435 8286 23011 24067 6336 8553 1 1 1 1 1 1 1 1 1 1 11167 14430 HMDB00698 433.3167 *433.3203* 433.3203@1.1483698 1 1 1 1 1 1 1 1 2991 1 1 1 1 1 5096 1 1 1 1 1 1 1 1 1 1 1 1 5595 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 2900 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 1 1 3440 1 1 1 433.3203 *433.8635* C9 H8 Cl2 N4 O2 S5 2326 2317 1 1816 2131 2238 1945 2454 1 2043 1977 2276 2151 1841 2472 2097 2463 1 2966 2946 2310 1937 2147 2326 2562 2549 2320 2271 2058 2091 2580 2334 2401 2019 2211 2727 2660 2410 1963 2441 2687 2711 1 1924 2423 2395 2663 2719 2487 2420 2428 2650 3083 2511 1 2400 2497 2418 2192 2369 2115 2294 2952 2870 2926 3019 2473 2860 2594 2442 3124 3429 2282 2124 1 2145 2321 2504 2875 2505 2883 3167 2729 2174 2761 2234 2920 2874 2494 2208 433.8635 *433.9591* 433.9591@1.1110404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.9591 *433.9886* 433.9886@1.2091112 5970 1 1 1 1 1 1 1 1 1 1 1 2787 2788 1 1 1 1 2134 3110 1 1 1 1 1 1 1 1 3517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 1 1 1 1 1 4977 3873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 433.9886 *434.0634* C23 H14 O9 1 1 1 1 1 1 1 1 1 21282 16834 1 20763 19861 1 12283 1 1 15226 1 1 18207 15015 3332 15396 1 15539 1 1 1 1 7811 13975 1 1 19379 16896 1 1 13680 1 1 1 1 12601 12028 1 1 1 15383 1 16779 18834 16880 1 1 1 16764 17426 1 17543 6800 18830 18815 8791 1 18623 1 1 19635 1 1 1 1 1 1 1 1 13951 1 1 1 11754 12340 1 13893 21107 1 13092 18676 434.0634 *434.0648* 434.0648@1.5871584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.0648 *434.0688* 434.0688@0.76940244 1 1 1 1 1 1 7672 8086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7694 6971 1 1 1 1 1 1 3037 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 4891 4995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9250 9342 1 1 1 1 434.0688 *434.1907* 434.1907@1.0764627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2064 3199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.1907 *434.2127* 434.2127@2.048575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2127 *434.2542* 434.2542@1.1924361 1 6219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2542 *434.263* 434.263@1.1578553 3404 3175 1 1 1 1 1 1 1 1 1 1 4508 2881 1 1 3234 1 1 1 1 1 1 1437 1 1 2397 1 1 1 1 1 1 1 1 1 1 1 1 1 3398 4408 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 4150 2910 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 2016 1 2115 1 1 1 1 1 1 434.263 *434.2766* 434.2766@1.1764841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 8768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2766 *434.2856* 434.2856@4.285149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5182 5723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2856 *434.289* 434.289@1.1737336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3387 5211 1 1 1 1 1 1 1 1 1 1 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10469 1 434.289 *434.2975* 434.2975@1.1347148 6121 6329 1 1 1 1 9026 7422 6365 7584 1 1 2971 5499 1 1 1 5524 1423 1 1 1 10668 9927 1 1 1 1 1612 1 1 1 1 1 1 1 3832 3974 14072 13374 1 1 4949 5161 1 2509 10835 11505 1 1 9429 1 6188 10615 1 1 1 1 1 1 2597 1 5194 6009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7323 1 1 1 1 13596 1213 6073 1 1 9189 10379 434.2975 *434.2998* 434.2998@1.1724154 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8848 1 1 1 1 1 1 1477 1741 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9282 434.2998 *434.3066* 434.3066@1.1164275 1 1 4886 1 1 12739 1 1 1 1 15383 4555 1 1 9659 8266 6552 1 1 1 1 1 1 1 17281 1 6832 1 1 1 1 1 1 1 1 4663 1 1 1 1 1 8401 1705 1 6015 1 1 1 1 6959 1 10507 1 1 9627 14948 1 1 1 9490 17949 15208 1 1 143632 290086 1 1 11739 1 1 1 1 7618 1 8328 14334 13193 1 1 1 1 17420 1 15666 1 4950 1 1 1 434.3066 *434.3138* 434.3138@1.1342463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84940 1 1 1 1 1 1 1 3734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.3138 *434.3194* 434.3194@1.1278665 1 1 1 1 1 4426 1 1 4368 1 3186 16758 1 1 1 1 1 1 1 1 1 10419 1 1 1 1 1 1 1 43969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15812 1 1 10979 1 1 1 1 1 3030 1 1 1 1 1 1 1 1 1 1 1 91408 5482 1 14435 1 18092 1 1 1 1 3668 1 1 1 9192 1 1 1 1 20251 1 1 1 1 434.3194 *434.3307* 434.3307@1.178881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6066 10684 1 1 1 1 2911 1 1 1 1 1 1 1 1 1 3657 1 1 10157 5491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.3307 *434.3348* C23 H47 Cl N2 O3 25701 54855 12227 1 1 1 1 1 1 24532 35271 60337 1 1 18871 21925 1 1 47470 27951 1 26810 1 36120 31417 59631 37732 28016 30841 28655 45996 9796 66730 56607 15452 10263 1 1 1 1 128473 34653 15356 1 1 56092 1 1 54973 1 1 1 1 1 25005 20364 1 16369 34614 34041 1 57243 1 1 25740 1 34628 43569 48685 25596 1 1 14503 1 22511 1 1 31529 1 1 35579 28656 1 1 1 1 1 9098 17931 1 434.3348 *434.3371* 434.3371@1.0457221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.3371 *434.3372* 434.3372@1.1850619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197192 176928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.3372 *434.884* 434.884@1.1024394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12153 12693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26454 35542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14263 14990 1 1 1 1 1 1 1 1 1 1 37811 35774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.884 *435.0493* 435.0493@1.469653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.0493 *435.0939* 435.0939@1.1714697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.0939 *435.133* 435.133@1.1400206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11000 10088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.133 *435.2272* 435.2272@1.9691975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5350196 5312650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2272 *435.2274* 435.2274@1.034035 11196 12877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3967 4206 1 1 1 1 1 1 1 1 435.2274 *435.2907* 435.2907@1.1365966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2907 *435.3007* 435.3007@1.1171781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 3668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.3007 *435.3116* 435.3116@1.1077508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.3116 *435.332* 435.332@1.0989522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2792 1 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4721 1 1 1 1 1 1 6849 1 1 1 1 1 1 1 1 1 1 1 1 435.332 *435.3976* 435.3976@2.085193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.3976 *435.4772* 435.4772@2.1643195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.4772 *435.7908* 435.7908@2.210946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.7908 *435.8549* 435.8549@2.1728594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8549 *435.8578* 435.8578@2.0716279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8578 *435.899* 435.899@2.2001538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2240 6983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.899 *435.9067* 435.9067@2.0385518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.9067 *435.9825* 435.9825@1.2093606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.9825 *436.0049* 436.0049@1.9563622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.0049 *436.0069* 436.0069@1.1998279 1 1 1 1 1 1 1 1 1 1 1 1 2694 3787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.0069 *436.0823* 436.0823@1.9713969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.0823 *436.0948* 436.0948@1.1420224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9259 10536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.0948 *436.1395* 436.1395@3.6892633 1 1 1 1 1 1 204263 202674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170517 174432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15914 16015 49928 47177 1 1 1 1 1 1 436.1395 *436.1515* C18 H32 N2 O4 S3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3875 3667 2996 3221 1 1 1 1 4265 4700 1 1 4675 4782 1 1 2759 3571 2265 2128 2470 2377 4084 4175 1 1 1 1 1 1 3548 3289 1 1 1 2433 6884 6623 1 1 1 1 1 1 1 1 1 1 2027 1950 5369 5869 1 1 1 1 1772 1 3849 3994 1 1 4913 4129 2874 2831 1 1 1 1 436.1515 *436.2038* 436.2038@1.0543517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2038 *436.215* 436.215@1.0394244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 3407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3504 2872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.215 *436.2232* 436.2232@1.0405159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5623 1 1 1 2375 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2232 *436.2293* 436.2293@2.217403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2293 *436.2858* C23 H40 N4 O2 S 10057 7565 1 1 6296 7128 5595 5101 6758 7341 1 1 1 1 6514 7074 4295 3616 5294 3972 1 1 6107 6455 6663 1 4662 4731 13851 9974 14165 16286 7868 8386 1 1 1 1 6394 1 4831 4098 3525 4028 1 3725 1 1 1 1 5491 5090 1 1 1 1 1 1 1 1 3212 1 5132 5148 1 1 9563 10363 1 1 1 1 1 3994 7347 7621 1 5725 3655 3780 4611 5273 1 5054 5492 1 8811 7808 1 1 436.2858 *436.2889* 436.2889@1.1956638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6366 1 1 1 1 1 1 1 1 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2889 *436.2915* 436.2915@1.181239 1 1 1 1 1 1 1 1 1 1 2985 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4112 1 1 1 1 1 1 4051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3936 1 1 1 1 1 1 1 5397 3286 1 1 1 1 1 1 1 1 1 1 6881 1 1 1 1 1 5676 1 1 1 1 1 1 1 436.2915 *436.3194* 436.3194@1.0874103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21239 1 1 1 1 1 1 1 1 1 1 35242 1 1 1 1 1 1 1 40480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.3194 *436.3225* 436.3225@1.0806394 81684 1 106926 19799 225245 53558 1 70123 42781 232720 57590 290644 22219 1 34663 35838 64992 96052 1 22200 29850 133395 54217 247125 46547 1 39865 192299 1 62379 147646 1 74066 55816 45533 12172 61144 45165 42270 36395 1 232266 1 1 41436 217062 1 80370 164104 44724 46246 57273 42438 19733 115975 220842 1 31804 201811 224605 105376 1 26240 1 1 1 1 1 215239 169146 127127 140123 160304 30045 169111 32119 1 258008 137261 117848 37609 181059 145793 48215 58650 54023 1 22261 94038 30070 436.3225 *436.3266* 436.3266@1.9761918 1 1 1 1 2128 2287 10304 10392 2260 2906 3640 3727 1 1 1 1 1 1 2335 2547 2719 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 2420 1 1 1 1 2104 1 1 1 1 1 1 2121 1 1 1 1 7439 7556 1 1 1722 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 6206 5982 1502 2086 8057 7291 5061 6013 1 1 2902 2944 436.3266 *436.3392* 436.3392@1.0574441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100301 1 1 1 1 1 1 9753 154193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10070 436.3392 *436.3481* 436.3481@1.048184 8452 8064 5932 1 1 1 1 1 9231 12666 95585 1 7589 1 42990 9192 1 1 164747 32348 1 1 1 12640 1 12631 1 1 60197 23611 60054 17062 1 1 4446 1 1 11064 1 11091 20051 12063 1 1 1 1 164162 1 1 1 1 1 1 1 10474 10402 134170 1 10894 10369 1 1 1 1 12281 1 1 1 1 48022 7316 1 1 1 1 1 106388 23754 1 1 1 13745 1 1 10970 1 1 1 9453 1 436.3481 *436.4797* 436.4797@2.179109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12376 11978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.4797 *436.4838* 436.4838@1.9764085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.4838 *436.7044* 436.7044@2.145798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.7044 *436.7381* 436.7381@2.1979165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.7381 *436.7574* 436.7574@1.9720076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.7574 *436.8118* 436.8118@2.139784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.8118 *436.8475* 436.8475@1.9730092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.8475 *436.8478* 436.8478@2.025095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.8478 *436.8939* 436.8939@1.9713969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.8939 *436.9561* 436.9561@1.9693923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.9561 *436.9798* 436.9798@1.9710059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.9798 *436.9823* 436.9823@2.074175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.9823 *437.0508* 437.0508@1.9669994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.0508 *437.0793* 437.0793@0.74338186 1 1 5611 6029 1 1 1 1 1 1 1 1 1 1 1 1 2322 2545 1 1 1 1 1 1 2394 2536 4927 4973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3284 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.0793 *437.0802* 437.0802@2.1688504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.0802 *437.2315* 437.2315@2.1703289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.2315 *437.3273* 437.3273@1.081372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13367 1 1 10688 1 1 1 1 22467 1 1 17922 1 1 13198 1 1 1 1 1 1 8508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.3273 *437.3325* 437.3325@1.0656475 1 1 1 1 1 1 1 1 1 1 1 1 1 6099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4723 1 1 1 1 1 16008 1 1 1 1 1 16899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10046 1 1 1 437.3325 *437.3395* 437.3395@1.0541632 1 1 1 2290 4389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 15465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3390 1 6321 1 5700 4191 1 1 1 1 18450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 1 3048 1 1 4575 1 1 1 4140 1 1 1 1 9790 1 1 437.3395 *437.3547* 437.3547@1.0393131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1621 1 1 1 1 1 1 1 1 1 1 1 2149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.3547 *437.4074* 437.4074@2.0783725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5188 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.4074 *437.4839* 437.4839@2.0849214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.4839 *438.0598* 438.0598@0.71464586 1 1 1 1 1 1 1 1 1 1 1 1 6725 7042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2816 1 1 12664 13245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71980 72623 1 1 1 1 1 1 438.0598 *438.073* 438.073@0.78522503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3710 1 1 1 1 1 1 1 438.073 *438.0899* 438.0899@3.0689485 1 1 1 1 1 1 109265 111206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.0899 *438.14* 438.14@1.0417341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10289 1 1 1 1 1 1 1 1 3552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.14 *438.1416* 438.1416@1.04902 1 1 1 1 1 1 1 1 1 1 1 1 1 5607 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 7247 1 1 1 1 1 4327 1 3615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5497 1 5115 1820 1 1 1 1 2938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3952 4295 3478 2393 1 1 438.1416 *438.1539* 438.1539@1.5010457 1 1 1 1 1 1 13653 9064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.1539 *438.155* 438.155@1.9730811 1 1 1 1 1 1 67311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.155 *438.1552* 438.1552@1.8790172 1 1 1 1 1 1 30870 25319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26169 26572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 3258 13478 4734 1 1 1 1 1 1 438.1552 *438.1552* 438.1552@2.0354457 1 1 1 1 1 1 116452 112163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119569 118320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12583 10788 28278 30127 1 1 1 1 1 1 438.1552 *438.1553* 438.1553@0.970289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12692 11196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13881 13473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.1553 *438.1559* 438.1559@1.1567258 1 1 1 1 1 1 45758 40340 1 1 1 1 1 1 1 1 7152 8264 1 1 1 1 25803 25309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5141 8569 1 1 1 1 1 3409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 3191 1 1 1 1 1 1 438.1559 *438.1671* 438.1671@0.91308945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8214 8269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.1671 *438.2201* 438.2201@0.88639617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5389 5223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.2201 *438.226* 438.226@2.4490614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.226 *438.2268* 438.2268@2.3551955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45984 38259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.2268 *438.233* C22 H41 Cl3 N2 1 1497 13001 12208 3824 6347 22976 22910 1 1 1 2663 20895 20077 3924 5027 6084 6881 20770 20943 22966 22143 14124 14842 12024 13976 6937 5580 16892 17509 10307 13206 10660 9633 2869 2822 1 4790 14402 16769 1 1 12048 11655 12810 11040 14410 12858 7582 3348 26492 22244 12738 13050 2944 1 12492 11156 8636 7375 1 1 1 1 1 3360 9397 4319 1 1 20196 17945 6268 6552 13110 14007 8179 9150 17489 20584 14219 16353 3577 1 17930 17120 39572 37128 1 2373 438.233 *438.233* 438.233@2.0308177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19070 14715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.233 *438.2337* 438.2337@2.1247497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.2337 *438.2959* 438.2959@1.2325824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6859 1 1 1 1 1 1 1 1 1 11413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24505 9753 1 1 1 1 1 438.2959 *438.3129* 438.3129@1.1463497 1436 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.3129 *438.3339* 27-nor-5b-cholestane-3a,7a,12a,24,25-pentol 1 99722 1 22398 35687 105427 45476 1 78648 1 82108 1 42409 12471 28496 75310 11246 11767 1 44315 28798 19773 92530 30053 84648 88823 73885 1 92049 124607 1 68636 112794 48875 10643 1 52606 80757 71347 87348 35239 31784 30320 1 105938 37541 1 22286 32104 71352 102745 54582 61884 71103 21930 1 1 248815 1 1 114965 61159 28538 55027 152370 29981 89574 73162 1 1 1 1 14411 32620 1 30012 1 1 27006 22952 66627 1 32921 54442 47762 91973 69412 67166 1 67347 HMDB02126 438.3339 *438.3364* 438.3364@1.0583621 1 1 1 64712 1 1 1 1 1 1 1 1 1 32310 1 1 1 1 1 1 17489 1 1 1 1 1 1 1 1 1 1 64631 30666 91106 1 1 1 1 17510 1 1 1 90095 1 1 1 1 1 1 25240 1 150506 17253 21025 1 1 1 1 1 1 1 34691 82045 1 1 1 42688 58607 90142 1 1 1 1 28450 1 16139 1 1 1 1 1 1 1 113526 44596 1 1 1 1 1 438.3364 *438.3647* 438.3647@1.0286183 1 1 1662 1 1 4103 2258 1829 2444 1 1 1 1994 1 3730 2284 1 1 2601 1 1 2073 4525 2655 3369 1 1 1 6789 7437 1 1 1 8148 1 1 1 2344 1 1 1 1 1 1 5116 1 1 1 1 1 1 1 1 1 1 1 1 9805 1 4161 1 1 1 1 1 1 1 3183 1 1 1 1 1 1 1 1 3996 5517 1 1 1 1 1 1 1 1 1 1 1 1 438.3647 *439.0582* C20 H25 N S5 1 1 3353 3699 1 2579 5099 5153 10195 9247 2068 2030 4170 3836 1807 2189 6730 9162 2757 2721 1 1 10461 5376 2352 2325 4556 4120 7217 3124 2486 2290 4145 4429 2973 2761 3018 3918 1 1 3124 1 1 1 10879 11132 1 1 4335 4543 3387 1699 1 1 1 1 4860 2424 1 1 1 1 1 1 4798 4948 8653 8883 1881 1 5973 2884 2387 2417 1 1 1 1 2618 2728 7960 8026 1 1 8345 8133 1 1 4598 4264 439.0582 *439.085* 439.085@1.0971396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 1 1 1 439.085 *439.1535* 439.1535@5.2925315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.1535 *439.3002* 439.3002@1.2017214 1 1 1 1 1 4118 1 1 1 1 1 1 1 1 4093 4654 1 1 1 1 1 2788 1 5201 1 1 4600 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 1 1 1 1 1 1 1 1 1 3786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8325 3215 1 1 1 1 1 439.3002 *439.3377* 439.3377@1.0887243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16376 1 1 1 1 1 13316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.3377 *439.338* 439.338@1.0689981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25044 1 1 1 1 1 1 1 1 1 1 1 1 10158 1 1 1 1 1 12779 23244 1 1 1 1 1 1 1 1 1 1 1 1 1 439.338 *439.3708* 439.3708@1.0287486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.3708 *440.0325* 440.0325@0.7952808 1 1 1 1 1 1 6123 4464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13326 12872 1 1 1 1 1 1 3674 5586 7398 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6491 7913 1 1 1 1 1 1 6927 7213 1 1 6659 7973 440.0325 *440.0589* 440.0589@0.7414413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.0589 *440.0694* 440.0694@2.2490296 1 1 1 1 1 1 55800 56955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.0694 *440.0699* 440.0699@2.4035206 1 1 1 1 1 1 2461 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.0699 *440.0703* 440.0703@2.5010264 1 1 1 1 1 1 11111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.0703 *440.0726* 440.0726@0.7074168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19095 1 1 1 1 1 1 1 440.0726 *440.075* 440.075@0.6854606 1 1 1 1 1 1 1 1 1 1 15103 16576 15157 15551 1 1 1886 1 11296 11313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11304 10510 1 1 1 1 1 1 1 1 20720 7328 1 1 1 1 34866 35378 1 1 1 1 1 1 1 1 1 1 1 1 8305 8331 1 1 29838 47537 1 1 1 1 1 1 440.075 *440.12* 440.12@1.1827915 1 1 1 1 1 1 1 1 1 1 1 1 21189 16788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1974 1 1 1 1 1 1 6712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.12 *440.132* 440.132@1.1848339 1 1 8243 2143 1 1 1 1 1 1 1 1 1 1 7403 1 1 1 1 5357 1625 7961 1 1 1933 2056 1 5825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4958 1 1 12303 8973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2596 5123 12565 11015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7524 8348 1 1 440.132 *440.147* 440.147@1.0380057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2591 1 1 1 1 1 1 1 1 1 3916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 3551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.147 *440.1519* 440.1519@1.9821156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3868 1 1 1 1 1 1 440.1519 *440.1526* 440.1526@1.0452552 6646 5743 1 1 5556 2793 1 1 1 1 1 1 2245 1 1 1 1 1 5816 6002 7940 4849 1 1 1 1 1 1 6002 2561 8103 1 3851 1 1 1 2290 1 1 6672 1 1 1987 5163 4899 5271 4824 1 1 1 8658 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4332 6639 1 1 7238 7197 1471 3639 5416 1 1 1 15695 1 1 1 440.1526 *440.1616* 440.1616@1.0345614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.1616 *440.1658* C28 H25 Cl N2 O 2934 1813 11559 10426 1 12181 8957 8980 1 1 9280 10304 9427 9966 7031 7814 90758 88494 4078 3389 6508 4726 3619 4176 4006 4354 3305 3355 1 1 5067 4851 5355 4652 4681 4376 3880 4490 5879 5011 2822 1 5045 4915 2752 3943 6328 5509 3418 4046 4314 4638 3762 2755 4067 3590 3462 4105 20652 31858 1 1 3393 3651 1 1 1 2113 1 1 2928 3555 3414 3043 3394 1 1 1 3498 1 3734 1 1 1 1 1 1 3840 1 1 440.1658 *440.1687* 440.1687@0.996671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16774 1 1 440.1687 *440.1698* 440.1698@1.1877241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.1698 *440.1711* 440.1711@1.0941608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147223 128004 1 1 1 1 1 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6597 1 1 1 440.1711 *440.232* 440.232@1.0642931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4726 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2253 1 440.232 *440.2528* 440.2528@0.8751487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5005 4842 1 1 1 1 1 1 1 1 1 1 1 1 7100 8331 1 1 1 1 1 1 1 1 6753 7678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2528 *440.2763* 440.2763@0.86637825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4451 4376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2763 *440.28* 440.28@1.2054286 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.28 *440.2974* 440.2974@1.0362985 75208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2974 *440.301* 440.301@1.0220406 1 65972 1 1 1 1 1 1 1 1 1 1 1774 1 3926 4514 1 1 1 1 1 1 1 1 3463 5347 28829 29938 6653 21630 1 1 1 1 1 1 4683 15923 1 1 3800 4478 1 1 1 1 1 1 1 1 4524 5265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 1 1 1 1 1 1 1 1 1 440.301 *440.3118* 440.3118@1.0253737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3510 1 1 1 1 1 1 1 1 440.3118 *440.3299* 440.3299@1.1504565 1 4976 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8642 10893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3299 *440.3335* 440.3335@1.1336378 1 1 1 1 1 1 1 1 1 3227 1 1 1 1 1 1 1 1 1 1 1 1 4727 1 1 1 1 1 1 1 1 1 1 1 1 1 10832 5081 10472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3335 *440.3469* 440.3469@1.0997757 1 1 1 1 1 22012 26814 1 1 1 1 1 7149 1 1 8025 1 1 1 1 26261 1 1 1 10473 9716 6319 1 16323 19375 1 1 1 1 1 1 1 1 1 1 12197 1 1 1 1 1 1 30765 1 13804 1 1 44466 1 1 1 24570 1 1 1 1 39723 1 14986 1 1 24942 30516 1 1 1 8443 1 33493 1 5567 1 1 1 1 8001 1 1 1 52243 11792 1 10881 23382 45347 440.3469 *440.3484* C17 H45 Cl N10 O 53926 1 7130 1 29218 82811 22516 50470 96270 1 50826 1 37370 44611 95783 83438 45777 23328 1 72201 44050 26346 97281 1 81259 81859 58812 1 210452 132213 114091 168376 162583 159737 36818 1 105814 106723 86528 88953 107546 1 7876 7723 129417 58498 1 43957 51440 89324 99951 1 56713 64627 70280 1 172314 50129 25049 1 44259 67959 1 63996 123026 98459 123059 119080 1 79961 1 1 10331 32378 1 52868 150460 49642 50954 80054 62459 1 43373 15359 53139 94128 97011 73322 40971 62177 440.3484 *440.9706* 440.9706@1.1665447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73185 70998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.9706 *440.9707* 440.9707@1.2466185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55257 56803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.9707 *441.017* 441.017@0.8089971 4034 1 1 1 1 1 2630 4202 1 1 1 1 3830 5082 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.017 *441.0294* 441.0294@2.4030204 1 1 1 1 1 1 6133 5933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.0294 *441.0358* 441.0358@1.1690927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10578 11434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.0358 *441.0445* 441.0445@0.7150426 1 1 1 1 1 1 1 1 1 1 1 1 7233 6417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.0445 *441.0569* 441.0569@0.70951235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.0569 *441.0653* 441.0653@1.142513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4217 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3322 3809 1 1 1 1 1 1 1 1 1 1 7224 6513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2334 1916 1 1 1 1 1 1 1 1 1 1 441.0653 *441.0754* 441.0754@1.0850956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5490 5594 1 1 1 1 1 1 25477 25956 1 1 2792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.0754 *441.0798* 441.0798@1.0830427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17146 23301 2317 4354 1 1 4631 11753 30307 18877 6402 1 1 1 12429 17573 2567 1 1 1 1 1 7062 7778 1 2804 12754 23354 3367 4199 1 1 1 1 1955 1622 1 1 1 1 2598 2720 7152 7067 3281 8927 9587 3383 1 1 4267 10600 1 1 16251 24170 45854 51891 1 1 441.0798 *441.1571* 441.1571@1.204 1 1 1 1 1 1 1 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.1571 *441.173* 441.173@1.1385717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.173 *441.2822* 441.2822@1.0172611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1795 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.2822 *441.2892* 441.2892@1.0207051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.2892 *441.3216* 441.3216@1.1446072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.3216 *441.3518* 441.3518@1.0799348 1 1 1 1 1 1 1 1 1 1 25721 1 1 1 1 1 1 1 1 1 3753 1 1 1 1 1 1 1 1 1 1 1 1 1 10217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25856 1 1 1 1 11531 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 16253 1 441.3518 *442.0353* 442.0353@0.76215833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3423 3562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.0353 *442.0429* 442.0429@2.368 1 1 1 1 1 1 1 8927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.0429 *442.0437* 442.0437@2.21 1 1 1 1 1 1 1 24618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.0437 *442.0459* 442.0459@2.2375307 1 1 1 1 1 1 48069 15082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.0459 *442.0675* 442.0675@2.7986126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 4515 1 1 1 1 442.0675 *442.0901* 442.0901@0.8697657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7645 8488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.0901 *442.0964* 442.0964@3.6657228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16168 16180 1 1 1 1 442.0964 *442.1202* 442.1202@1.1861024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 1 1 1 1 1 1 1 1 1 1 1 1 3557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1202 *442.1267* 442.1267@1.1927527 9343 9715 1 12039 1 1 9870 8554 4862 5357 1 1 1 1 1 5422 7187 5800 7066 1 4420 1 1 2486 8580 8910 5716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2189 3578 1 1 1 1 1 1 1 1 4932 1 5341 1 1 1 1 1 1 5160 1 1 1 1 1 1 1 1 2356 1 1 1 2319 1 1 1 1 1 442.1267 *442.1502* 442.1502@1.1887244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1502 *442.1583* 442.1583@1.038761 1 1 1 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3337 1 1 1 1 1 1 1 2471 1 5176 1 2840 1 1 2739 2806 6018 5454 1 1 2684 1 1 1 1 1 1 1 1 5202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1583 *442.1679* 442.1679@1.0441104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1679 *442.1706* 442.1706@1.1225945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8379 5040 1 1 1 1 4820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1706 *442.1811* 442.1811@3.9242625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20330 17118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1811 *442.1819* 442.1819@4.376223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1819 *442.182* 442.182@4.4195805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10221 4850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.182 *442.1821* 442.1821@3.4132223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321476 315120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1821 *442.1822* 442.1822@1.2706335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16569 4550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1822 *442.1822* 442.1822@4.2601666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134750 137021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1822 *442.207* 442.207@0.90689266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3983 8113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.207 *442.2491* 442.2491@1.2025384 1 6308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16906 16806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25642 26538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8045 6490 1 1 442.2491 *442.2519* 442.2519@1.1875408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7089 7411 1 9023 1 1 1 1 1 1 1 1 1 6994 1 1 1 1 1 1 1 1 1 1 1 1 5953 6367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3993 3496 1 1 1 1 1 1 1 1 1 1 1 1 442.2519 *442.2583* 442.2583@0.9384431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148167 151626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2583 *442.2898* 442.2898@1.1720299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2898 *442.2983* 442.2983@1.0263951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2983 *442.308* 442.308@1.0698128 1913 2774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6982 53898 1 1 1 81624 1 1 1 1 1 1 1 1 2481 1 1 1 1 1 1 1 1 1 18899 1 1 12212 12432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 442.308 *442.312* 442.312@1.0524901 1 1 11219 27498 1 1 27205 5648 1 5361 4412 7728 11021 10749 26460 25316 1 1 36257 12990 1 1 1 2800 1 20396 1 2049 1 1 1 1 1 1 1 25172 49411 1 1982 1 21015 23541 1 1060 1 1 6008 1 1 1 1 1 1 1 10097 9766 1 1 1 2599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33544 11970 1 1 1 1 1 1 1 3825 442.312 *442.3174* 442.3174@1.1400154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3174 *442.3244* 442.3244@1.1187454 1 1 1 1 1 6439 2248 2276 2504 1630 1 1 1 1 2507 1 7532 6684 1 1 1 1 2106 1 1682 1984 1 1 1 1 1 1 2709 2286 1 1 4304 1 1781 1 1 1 1 1 1 4731 1 1 1 1 1 1 2044 1 2435 1 4170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6391 1 4069 1 2474 1 1 2088 1 442.3244 *442.3286* 442.3286@1.1145785 1 1 1 1 1 4143 1 1 1 1 1 1 1 1 1 1 2644 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3286 *442.3314* 442.3314@1.1235684 7668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9476 1 1 1 1 1 1 1 1 1 1 1 1 38379 2214 1 1 1 1 1 1 1 1 1 1 1 1 3869 1 1 35995 41360 1 1 1 1 51632 1 1 1 1 1 3000 1 1 1 1 1 3689 1 1 1 1 1 3134 2785 442.3314 *442.3451* 442.3451@1.0911779 1 6221 1 15838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3451 *442.3572* 442.3572@1.0854772 1 1 1 1 1 27553 15048 12486 22730 1 34114 1 114984 11218 21048 20753 13445 13836 1 1 22070 1 31211 1 22938 21949 14666 1 1 1 42594 1 1 1 1 1 1 1 25931 27359 1 1 13799 1 35078 1 1 1 1 1 36869 35636 1 24390 20819 1 1 1 1 1 1 1 16868 1 1 1 1 40969 9865 1 1 1 1 21001 1 17264 1 1 26331 27138 18071 1 1 1 1 1 1 22265 23893 1 442.3572 *442.3605* 442.3605@1.0868388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77081 1 1 57327 56086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38784 38906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40183 1 1 36865 1 1 1 1 1 1 1 1 1 1 1 1 29042 29172 1 1 1 1 1 1 442.3605 *442.3775* 442.3775@1.0427183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3775 *442.9656* 442.9656@1.0915226 1 1 1 1 1 1 1 1 1 1 6715 7209 1 1 1 1 1 1 1 1 1 1 4337 4676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.9656 *442.983* 442.983@1.109036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4125 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.983 *443.0323* 443.0323@0.9280364 1 1 1 1 1 1 3088 3395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.0323 *443.0879* 443.0879@1.0830401 2247 1 1 1 5334 2733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6462 7569 1 1 16514 1 1 1 1 1 3807 11698 1 1 4275 4260 1 1 1 1 1 1 6778 7752 1 1 15418 18542 1 1 1 1 2407 3052 1 1 7254 1 4812 4716 1 1 5124 1 1 11350 1 21015 10061 1 3434 3150 1 1 1 1 1 1 443.0879 *443.0992* 443.0992@2.8466377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51915 57379 1 1 1 1 443.0992 *443.0996* 443.0996@2.710061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23633 22964 1 1 1 1 443.0996 *443.1174* 443.1174@1.1929235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 443.1174 *443.3078* 443.3078@1.0413537 1 13268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3078 *443.3423* 443.3423@1.0822781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4577 1 1 1 1 1 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4719 4880 1 1 1 1 5754 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3423 *443.3492* 443.3492@1.0799477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3492 *443.3571* 443.3571@1.0850419 1 1 1 1 6661 1 1 1 1 4463 1 4953 1 1 1 1 1 1 1 1 1 1 1 5940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4556 1 1 1 7172 1 1 1 1 1 1 1 1 1 4145 1 1 1 1 1 1 1 1 1 1 1 1 7995 1 1 1 4452 1 2620 1 1 7520 1 1 1 1 1 1 1 1 4920 1 1 1 443.3571 *443.3666* 443.3666@1.0847722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3666 *443.9442* 443.9442@0.9217836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 3692 3678 3228 1 3396 3426 1 1 3541 3370 3429 1 1 1 1 1 1 1 3845 3664 3111 3327 3597 3388 1 1 2131 1 1 1 3999 4073 3145 3168 3537 3376 1 1 1 3066 1 1 3609 3597 1 1 1 1 1 1 3112 2892 3322 3388 1 1 1 1 443.9442 *444.0276* 444.0276@0.82758296 3973 3549 1 1 1 1 7398 7736 1 1 1 1 2953 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2857 2437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2458 3171 1 1 1 1 1 1 1 1 444.0276 *444.0774* 444.0774@3.659286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5756 1 1 1 1 1 444.0774 *444.0967* 444.0967@2.8471375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278240 285226 1 1 1 1 444.0967 *444.0969* 444.0969@2.7100616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121817 130419 1 1 1 1 444.0969 *444.1102* 444.1102@1.2023195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1102 *444.1328* 444.1328@1.1988448 1 1 4944 1 1 1 1 1 1 1 1 1 1 6367 1 1 1 1 1 1 1 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4363 1 1 1 1 2411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 2970 1 1 444.1328 *444.1615* 444.1615@4.1632667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5416 1 1 1 1 1 1 1 1 1 1 1 1 1 16057 15825 1 1 1 1 444.1615 *444.1805* 444.1805@0.9994589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2962 1 1 1 1 1 1 1 1 1 1 1 444.1805 *444.1873* 444.1873@1.0543013 1 1 1 3331 1 1 4491 3264 1 1 1 1 2502 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 1 1 1 3128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 1 1 3302 1 1 1 1 1 1 1 444.1873 *444.1996* 444.1996@1.0727041 1 1 10532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1996 *444.2067* 444.2067@1.0478908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16401 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2067 *444.2151* 444.2151@1.0597514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6515 24856 1 1 15660 1 1 1 1 1 1 1 1 1 13780 38189 4262 2088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11985 21796 1 1 1 1 1 1 1 1 1 1 1 1 37675 40594 1 1 1 1 2723 15364 1 1 1 1 37843 38269 1 1 1 1 1 1 1 1 1 1 444.2151 *444.2158* 444.2158@0.99263847 1 1 1 1 28135 28885 1 4374 15584 3190 21474 6245 1 1 1 1 10619 10053 5150 5463 2025 5057 6124 19013 1 1 3358 3244 1 1 1 1 5902 5485 6121 5673 1 1 1 1 1 1 4433 10370 1 1 22394 1 1 1 1 1 4101 6477 1 1 15848 7935 1 1 2811 15572 1 1 1 1 7292 5573 1 1 1 1 4303 4551 1 1 1 1 6423 3638 1 1 1 1 1 1 1 1 1 4565 444.2158 *444.2456* 444.2456@1.1139339 5041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2456 *444.253* 444.253@1.0648118 1 1 1 2918 1 1 1 3554 1 1 1 1 1536 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 2359 1 1 444.253 *444.2617* 444.2617@1.6385362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37973 32783 1 1 1 1 1 1 1 1 1 1 5510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4597 1 16069 30689 1 1 1 1 14572 7477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2617 *444.2618* 444.2618@1.8148184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11061 14177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23224 33797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2618 *444.2618* 444.2618@2.0691326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5918 12431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2618 *444.2621* 444.2621@2.0188782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2621 *444.2791* 444.2791@1.0330483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4231 1873 1 1 1 1 1 1 1 1 2857 4550 3844 3373 4306 1 1 1 1 1 1 1 3245 2458 1 1 6834 4868 1 1 1 1 1 1 1 1 6210 4655 1 1 2066 2682 1 1 1 1 1 1 1 1 8616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4757 3030 1 1 1 1 1 1 1 1 444.2791 *444.2885* 444.2885@1.1116543 23786 26745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22541 21342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7329 7922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2885 *444.3146* 444.3146@1.1751456 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.3146 *444.3215* (24R)-1alpha,24,25-trihydroxyvitamin D2 / (24R)-1alpha,24,25-trihydroxyergocalciferol 33140 33381 14465 1 43869 44031 1 22327 28370 27991 34722 34976 22101 18669 30342 30170 19076 19350 1 25279 27629 30336 1 47738 1 44255 38065 36089 48222 48306 32844 35050 32004 15239 17981 1 1 50725 53809 53562 43028 41792 21687 22109 45698 46530 51812 53063 24277 25677 1 1 40782 40814 28737 26682 18939 26587 30696 32852 33790 1 22420 21906 91503 92499 41163 41750 31521 32930 6404 1 27014 25932 29755 30667 48231 43606 36175 38922 1 30190 34812 35623 61292 1 35570 34730 20703 21391 444.3215 *444.3254* 444.3254@1.1252507 1 1 1 1 1 1 1 1 2013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.3254 *444.3372* 444.3372@1.1268271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.3372 *444.8895* 444.8895@1.1494544 8387 1960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 3485 1 1 1 1 1 1 1 1 1 1 14472 13783 3488 12667 1715 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 16903 16461 1 1 1 1 1 1 14401 15209 1863 1678 10540 9655 1 1 1 1 1 1 444.8895 *445.0916* 445.0916@1.0826286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8624 1 4103 12126 1 1 1 5589 1 7580 1 1 3795 1 5282 1 1 3477 1 1 2738 1 6227 3059 1 1 10417 1 1 1 1 1 1 1 2580 1631 1 1 1 1 4439 4507 1 2740 1 1 4847 1 1 1 1 3855 1 1 9924 1 1 1 1 1 445.0916 *445.0944* 445.0944@1.0612191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.0944 *445.1116* 445.1116@1.1967111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 445.1116 *445.1218* 445.1218@1.5418231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6001 5951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6264 5991 1 1 445.1218 *445.1523* 445.1523@1.5263796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10209 12126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.1523 *445.1771* 445.1771@1.1798041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34268 32394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.1771 *445.2073* 445.2073@0.757562 30144 29810 3499 1 5539 5410 6636 6245 3306 3164 5056 5203 5008 5718 8075 8004 1 1 1 1 1 1 3026 3745 4623 4783 8504 9366 7170 7731 1 1 2917 2630 1 1 10183 10454 1 1 11037 11043 1 1 1 1 1 2966 1 1 15023 14829 1 1 8201 8112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10529 11166 1 1 1 1 1 1 1 1 445.2073 *445.257* 445.257@1.2083927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.257 *445.2765* 445.2765@1.028394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2765 *445.2795* 445.2795@2.8197181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13547 5962 1 1 1 1 1 5669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10104 9021 5208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2795 *445.281* 445.281@2.793583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.281 *445.2813* 445.2813@2.6630278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7147 6096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2813 *445.3244* 445.3244@1.0706921 1 1 1 1 1 1 6984 7000 1 1 1 1 1 5597 1 1 1 1 1 1 1 1 10799 1 10031 1 1 1 1 1 1 1 1 1 1 1 11723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8071 1 1 1 1 1 1 1 1 1 7216 1 1 1 1 1 1 1 1 6998 1 1 1 1 1 1 1 1 1 445.3244 *446.004* 446.004@2.8456368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11687 11214 1 1 1 1 446.004 *446.0768* 446.0768@1.0974817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5892 6250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.0768 *446.0791* C21 H22 N2 O3 S3 8523 8671 8963 10106 8490 9593 5613 5478 7616 7658 5740 5984 8291 8949 11494 11602 9382 8919 10615 10892 10043 10948 8160 7030 13381 13269 11623 11449 12769 13296 6313 6451 9589 9255 11432 12840 6550 6843 4549 12538 8945 8244 13952 14432 14372 15541 1 1 11694 11693 10302 10374 8759 8742 6548 6242 12572 13712 3738 3551 1 1 4502 4416 7321 4334 7221 6516 11248 9779 5777 5752 7371 7269 8488 9046 10698 11050 12638 12535 8427 7828 11543 11335 8323 8956 3873 3294 12810 11956 446.0791 *446.0795* 446.0795@0.8107708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.0795 *446.0816* 446.0816@1.4853698 1 5243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.0816 *446.0828* 446.0828@1.5453714 9911 6251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9668 15041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.0828 *446.0929* 446.0929@1.0941461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2748 1 1 1 446.0929 *446.1553* 446.1553@1.3204552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3149 1 1 1 1 1 1 1 1 1 1 8809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1553 *446.1609* 446.1609@1.2899193 1 1 1 1 1 1 1 1 6454 9263 15077 15357 1 1 1 1 1 1 1 1 1 1 10492 10964 1 1 1 1 1 1 1 1 1 1 1 1 9459 5829 9461 12160 1 1 1 1 1 1 1 1 2410 5924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7710 8185 4853 3963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1609 *446.1618* 446.1618@1.2598104 1 1 1 1 1 1 1 1 1 1 9055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1618 *446.1636* 446.1636@1.1948757 3509 4529 1 1 1622 1 1 1 6285 4479 1 7473 1 2183 1 1 1 1 3279 1 1 1 5954 4422 1 1 1 1 1 2711 1 1 1 1 1 1 1 3020 6442 4690 1 1 1 1 1 1 1 1 1 3426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 2859 1 1 3115 2738 2842 3450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1636 *446.1837* 446.1837@1.1323549 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7386 6868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1837 *446.1994* 446.1994@1.1453309 1 1 1 1 1 1 1 9307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 24105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18436 1 446.1994 *446.2033* C21 H36 Cl2 N4 S 1 1 1 13718 1 1 18243 18854 1 11773 1 13089 13075 13471 1 4044 1 2162 1 1 1 1 1 1 8146 1 1 6869 4311 1 1 15866 17063 4202 1 1 10016 23681 4820 13006 1 1 2684 1 1 14446 1 20365 5223 4876 21694 1 1 1 1 1 1 12947 10681 10333 13747 1 1 17195 1 27276 1 1 10996 9610 18998 1 12230 1 11143 18338 7713 8189 1 1 21724 1 1 21837 28573 25513 1 1 1 1 446.2033 *446.2129* 446.2129@1.1036272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2129 *446.2221* 446.2221@1.0269227 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2221 *446.226* 446.226@1.2880516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3553 4150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.226 *446.2285* 446.2285@1.2310764 1 1 1 1 3147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2285 *446.2361* 446.2361@1.9704828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2361 *446.2414* 446.2414@1.3201629 1 1 1 1 1 1 1 1 5352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2414 *446.2487* 446.2487@1.0233542 1 1 1 1 1 1 4147 3772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 3867 1 1 1 1 1 1 1 1 1539 1 3598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2487 *446.2487* 446.2487@1.3251016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6299 6443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2487 *446.2582* 446.2582@1.0190808 1 1 1 1 1 1 1 1 1 1 1083 1 4463 4131 1 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2582 *446.2586* 446.2586@1.5988569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8489 3176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2586 *446.2588* 446.2588@1.837537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2588 *446.2611* 446.2611@1.0205725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2611 *446.2771* 446.2771@1.162039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7497 32449 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2771 *446.2912* 446.2912@1.1897395 4739 3904 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6723 1645 1 1 1 1 1 4691 1 1 1 1 1 1 1 1 1 1 4422 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 1 1 1 2946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4668 4028 2377 1 1 3716 1 1 1 446.2912 *446.2952* 446.2952@1.1880826 1 2380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3509 1 1 1 4310 1 1 1 1 1 1 1 1 1 2283 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2952 *446.3027* (23S)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / (23S)-1alpha,23,25-trihydroxy-24-oxocholecalciferol 13460 1 1 1 1 1 1 1 1 3623 7787 5341 1 1 6288 2400 8487 8258 3960 3234 1 1 3192 3282 1 1 1 1 6518 6722 3644 5771 2930 4270 1 1 1 1 2399 2747 4416 1982 1 1 1 2835 1 2622 1 1 1 1 1 1 1 1 3383 4164 3099 2381 4902 2826 1 1 1 1 1 1 2327 1 1 1 2026 2617 1 12459 1 1 1 2996 1 1 1 3885 4210 3591 1 3488 1 1 446.3027 *446.3081* 446.3081@1.1742511 1 1 1 1 1 1 1 1 4073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.3081 *446.3093* 446.3093@1.1578776 1 1 1 1 2612 1 1 1 2677 1 1 1 1 1 1 3931 1 1 1 1 1 3725 1 1 2986 1 1 1 1 1 1 1 1 1 1 1 1 2951 1 1 1 1 1 1 1 1 2579 1 1 1 1 1 1 1 1 1 3235 2436 1 1 2360 2767 1 1 1 1 7950 9190 1 1 1 1 1 1 4984 1 4511 1 1 1 1 1 1 1 1 1 1 1 1 1 446.3093 *446.3189* 446.3189@1.1467642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5757 1 1 1 1 1 1 1 6962 1 1 1 1 1 1 1 1 1 1 1 1 446.3189 *446.3353* 446.3353@1.1094499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9585 1 1 14268 1 1 1 1 446.3353 *446.3377* 1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole 162691 159659 82682 81858 274645 275296 147575 146224 125410 126084 195379 194889 115403 119081 166939 164585 85421 85063 126329 126642 180502 182332 249921 255032 198207 192424 208037 208042 255312 256157 195436 197571 154545 150908 74966 75088 346166 343165 277621 274210 259106 263741 115271 115632 206095 207037 244605 242964 143250 137888 312566 302885 201616 197584 164019 165138 170693 173687 168521 171921 198345 194107 117207 119719 249405 254000 218040 220330 174248 173345 123341 122151 132336 133363 173691 176209 240195 233979 179536 183959 144420 141491 187770 198597 318785 303732 220740 216660 91916 91739 446.3377 *446.592* 446.592@1.0589473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.592 *446.8868* 446.8868@1.1494831 1 3418 1 1 1 1 1 1 1 1 1960 2048 1 1 1 1 1 1 2455 2323 1 1 1982 1 1 1 1 1 1 1 1 1 3267 6847 1 1 1 1 1 1 1 1 1 1 1 1 8284 1 3933 2246 1 1 1 1 1 1 2254 2329 1650 1707 1 1 1 1 1 1 2081 1924 1 1 1 1 1 1 1 1 1 1 1 1 2704 2541 1 1 1 1 1 1 1974 2115 446.8868 *447.0912* 447.0912@1.085271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4687 3248 1 1 1 1 1 1 2822 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3726 1 1 1 1 1 1 6154 1 1 1 447.0912 *447.1066* 447.1066@2.1649125 5084 5076 1 1 1 1 1 1 1 1 4657 4400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7158 6992 447.1066 *447.146* 447.146@1.0268507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.146 *447.1473* 447.1473@1.0307642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4659 5023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3444 2355 1 1 1 1 15605 14043 1 1 1 1 1 1 1 1 1 1 1 1 447.1473 *447.1662* 447.1662@1.1265061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9324 8559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.1662 *447.1999* 447.1999@1.0615529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.1999 *447.207* 447.207@1.0614544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.207 *447.2534* 447.2534@1.0252904 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.2534 *447.2958* 447.2958@3.8345327 1 1 1 1 16877 16464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13009 13738 13576 13717 16338 16961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14694 15529 1 1 1 1 1 1 5435 1 1 1 1 1 447.2958 *447.2961* C30 H41 N S 12272 11993 1 1 10372 10282 10274 10595 17386 17649 1 1 1 1 8541 8499 40464 40462 17066 16989 1 1 34672 35256 11526 11695 11957 11264 1 1 26290 26244 18811 19214 6271 6181 14889 16058 6238 5922 1 1 1 1 1 1 1 1 1 1 7656 7933 1 1 1 1 1 1 1 1 8517 8269 1 1 1 1 8737 7888 3529 1 16490 16375 12911 13667 13320 13458 13198 13064 1 1 6429 6358 1 1 16914 17059 1 1 27274 28372 447.2961 *447.2991* 447.2991@1.1285942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.2991 *447.3224* 447.3224@1.1135339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 447.3224 *447.3373* 447.3373@1.1099046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 1 1 447.3373 *448.0014* C15 H12 N8 O S4 6380 5991 6410 7148 2809 1 5399 4612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4351 5419 4745 1 8308 9013 1 1 7234 6995 11939 12387 1 1 1 5977 7663 5702 9895 10109 8432 7940 5922 5666 1 6442 3978 4193 8779 8452 1 1 8252 8615 1 1 11559 11705 1 1 1918 2804 1 1 1 3678 1 1 1 1 4756 4296 3595 4375 16655 16583 9332 9964 13850 13493 1 1 1 1 8980 8945 448.0014 *448.0074* 448.0074@0.804737 1 1 1 1 1 3480 1 1 1 1 1 1 2332 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 5002 1 1 1 1 1 1 1 1 8068 7965 5456 1 1 1 1 1 1 1 1 1 6723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.0074 *448.0192* 448.0192@0.8009454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.0192 *448.1077* 448.1077@3.6557264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7459 7368 1 1 1 1 448.1077 *448.12* 448.12@0.8644207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5836 5897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5776 4973 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 2643 1 1 1 1 1 1 1 1 1 1 1 448.12 *448.1392* C19 H28 O10 S 21771 21802 23111 22993 18495 17588 31279 30254 25327 25140 20867 19937 17331 16743 23596 22831 24028 23663 30869 32203 15916 16093 31804 31530 25625 26050 18337 18124 23096 23490 12408 12950 14355 14787 11486 11781 10944 11717 10401 10990 18798 19024 11175 11448 12186 12868 12448 11992 15111 14972 20911 20385 17391 16813 15636 16118 15828 16579 13220 13089 13564 13159 12367 13666 10884 10978 17470 17054 9602 9941 18471 17624 13749 13880 13963 14256 11488 11451 16092 16444 13130 13245 18252 18710 17712 18222 21070 21764 17719 17602 448.1392 *448.1999* 448.1999@1.0604112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.1999 *448.2041* 448.2041@1.0646344 1 1 3522 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 2423 1 1 1 1 1 1 1 1 1 4185 1 1 1 1 5300 1 3296 1 7989 1 7372 1 5345 5725 2856 1 1 1 1 1 4785 4619 1 1 5525 1 1 1 5907 5811 1 1 1 1 1 1 1 1 1 1 1 1 1 5538 1 1 5966 1 7115 7060 1 1 1 1 1 1 1 1 1 1 5574 1 448.2041 *448.2373* 448.2373@1.2039349 5905 3152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.2373 *448.265* 448.265@4.6080256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.265 *448.2787* 448.2787@1.301667 1 1 1 1 1 1 1 1 6200 6624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15640 13033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.2787 *448.2883* 448.2883@1.139424 1 10238 1 1 11673 12048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18141 1 1 1 18015 15831 1 1 39937 42336 10137 11245 12783 1 1 1 10750 9804 1 1 1 1 1 1 1 1 1 1 1 1 12016 11971 15162 1 4938 1 25630 1 14746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14798 14871 14161 15382 1 1 6231 8255 448.2883 *448.2936* 448.2936@1.1377066 1 1 1 1 1 1 5963 1 1 1 1 1 4561 1 1 1 5212 1 1 1 1 1 18768 18222 1 1 1 1 1 1 11307 8443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20633 14036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16445 1 1 1 1 6410 7957 5590 1 11593 10371 1 8484 1 9280 1 1 1 1 1 1 1 1 448.2936 *448.2992* 448.2992@1.137242 1 1 1 2745 1 1 1 5902 1 1 1 1 1 1 1 1 1 5743 8078 2409 1 7015 1 1 16449 9093 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 4290 7849 5259 4078 1 1 6623 8720 8846 4174 9564 10816 1 1 1 1 1 5136 1 1 1 1 4910 4158 1 3552 1 1 1 1 1 1 9315 1 9071 1 1 1 1 1 1 1 1 1 448.2992 *448.3155* 448.3155@1.1767318 1 1 3307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10135 1 1 1 1 1 1 1 1 1 1 5352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13626 8740 3005 5859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5521 1 1 1 448.3155 *448.3229* 448.3229@1.1368455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3598 1 1 448.3229 *448.3496* 448.3496@1.0769029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.3496 *448.3519* C23 H49 Cl N4 O2 200362 111374 69039 66309 184553 186490 99385 102571 113039 115329 170711 351090 94091 96625 134385 133225 75543 74772 104799 85205 111543 116117 200573 203188 155793 155999 268175 269063 213085 216852 191513 193270 133498 133850 71308 72419 164811 163055 187912 187803 166231 160982 81353 85458 184571 184334 151002 150432 271377 124520 237451 236337 122709 121922 128442 131121 448501 457381 265478 271916 287951 285520 82858 82530 341833 334334 176686 178676 158526 158865 127596 127646 98504 98865 119716 117569 167743 166896 185148 190234 277734 274527 117650 121903 220357 220568 175673 176193 97976 98562 448.3519 *449.0387* 449.0387@0.8917492 1 1 1 1 1 1 1 1 1 4549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.0387 *449.119* 449.119@1.6236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.119 *449.1913* 449.1913@1.0632136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 449.1913 *449.2046* 449.2046@1.061026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 2754 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.2046 *449.2672* 449.2672@2.0558398 1 1 1 1 1 1 1 1 1 1 6790 9927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4961 1 1 1 9931 7106 1 1 1 1 1 1 13064 14574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8663 1 1 1 1 1 1 1 1 1 1 1 8113 1 1 1 1 1 1 1 1 1 1 1 1 1 449.2672 *449.2675* 449.2675@2.0874135 1 1 1 1 1 1 1 1 1 1 13282 12950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3997 8766 1 1 1 1 1 1 14792 11753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.2675 *449.2878* 449.2878@1.136 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.2878 *449.312* Glycoursodeoxycholic acid 27705 27170 7202 7501 92258 93680 142224 139875 50461 53201 57822 58702 7262 7028 52736 51492 8167 7914 62453 62982 4551 4763 75271 75422 18639 18987 15553 16391 8743 9022 5132 5244 34227 34216 32553 33085 32493 32893 18050 16591 28908 29941 35550 35750 31136 31212 23835 25542 128025 126056 8239 9025 14377 14835 14631 13857 10702 11154 57862 58783 127295 127457 33429 33494 22858 23000 30520 30287 108103 105774 58373 58509 20152 20144 46560 48165 18969 18781 20714 22007 131704 130767 54530 55323 32379 31148 8115 7874 8882 7625 HMDB00708 449.312 *449.3122* Glycoursodeoxycholic acid - 4.8044558 18349 17830 2764 2879 23841 24691 50499 47764 28981 29820 1 1 1 1 22702 21582 130963 131879 26927 26599 1 1 80776 81186 43812 44049 10932 10323 2650 1 60093 61450 18470 17914 21676 20954 8678 8918 12409 12701 4868 4861 8877 9140 7709 7439 4526 4463 17084 16562 6138 6190 3084 3019 1 1 1 1 29356 30032 34723 34569 1 1 9664 10002 5635 5947 16191 16194 13712 13927 7892 8691 18925 19718 8532 7889 6668 7034 23968 24169 7559 7520 15095 13975 1 1 74174 73430 HMDB00708 449.3122 *449.3125* 449.3125@4.6577806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190313 189894 1 1 1 1 1 1 1 1 1 1 1 1 80651 82740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144647 143531 449.3125 *449.3456* 449.3456@1.1004586 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.3456 *449.353* 449.353@1.0997446 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13352 1 1 1 1 1 1 1 1 449.353 *449.8369* C17 H3 Cl O3 S5 4493 4828 3552 3471 4274 4493 4167 1 4184 3604 5115 4744 3880 3979 4373 4461 4200 4229 4951 5087 1 4213 4079 3806 4769 5393 4553 4645 4646 4346 4667 4330 4621 4742 4719 4772 4033 4494 4267 4413 4694 4479 3826 3814 4195 3768 3920 3979 4026 4062 4658 4352 4829 4630 4310 3913 4348 4401 4783 4558 4699 4997 4919 4918 4357 4777 4910 4533 4322 4288 7397 5869 4194 4077 4388 4095 4148 4201 5183 5096 4713 4635 5189 4815 5103 4941 4853 5030 4524 4578 449.8369 *449.9384* C13 H6 O16 S 3136 3047 6160 5945 1 1 3539 3807 4259 4126 6230 6278 1 1 1 2682 1 1 3766 3689 4876 4513 4383 4984 5179 4866 1 1 3450 3279 2502 1 1 1 2952 2829 1 1 4360 4391 4576 4253 1 1 1 1 2649 1 3354 3056 6389 6333 1 1 2777 2756 1 1 1 1 1 1 1 1 1 1 3261 3350 3063 1 3217 3367 2772 2848 1 1 5345 5243 1 3098 1 1 1 1 1 1 3019 2922 4085 4269 449.9384 *449.953* C17 H6 O13 S 2940 2964 4676 4644 3949 3839 1 1 1 1 2415 2604 1 2163 3745 3561 2573 2636 2084 2281 5291 4861 3390 3156 5196 5269 1 1 1 1 4657 4605 3159 3415 4412 4719 4478 4468 3251 3131 3490 3566 5699 5466 2643 2595 2058 2269 3525 3849 2855 2732 5201 4602 5691 4992 1 3034 1 1 2911 3311 4897 5191 1 1 3782 4120 4451 4558 1 1 1 1 6151 5786 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 449.953 *449.9698* 449.9698@0.8171067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.9698 *449.9727* 449.9727@1.1060054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3269 3596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.9727 *449.9916* C20 H10 N4 O3 S3 1 1 5687 1 1 4820 1 1 5179 5548 4382 4271 5879 1 6146 1 6170 6452 4501 4775 5510 5520 5932 5171 1 5819 5187 6072 1 5731 1 1 1 1 1 1 5292 1 1 5047 4192 1 2620 1 4399 4544 1 5611 5345 5383 5390 6141 5549 6497 6011 6342 1 4445 5625 5046 4581 1 5347 5630 4558 1 1 5015 1 1 1 1 3562 1 5413 6291 4728 5408 1 1 4855 3985 1 1 1 1 1 1 1 1 449.9916 *450.1264* 450.1264@3.668222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86467 86226 1 1 1 1 450.1264 *450.1364* 450.1364@0.9590744 1 1 1 1 1 1 46728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.1364 *450.1371* 450.1371@0.9138514 1 1 1 1 1 1 6524 5313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24241 23916 2238 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 2429 1 1 1 1 450.1371 *450.1443* 450.1443@1.0379623 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.1443 *450.1733* 450.1733@1.0910487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7051 1 1 1 1 1 1 1 1 1 1 1 450.1733 *450.1807* C13 H31 Cl N6 O9 14782 19228 12667 13964 1 1 18661 18882 19611 19332 9447 5609 21489 27148 1 8713 41383 39627 8365 8777 5517 6165 18129 19467 1 1 1 1 1 1 3255 1 4882 4500 2754 3859 1 1 1 1 15860 18152 1 1 1 2717 1 1 10696 8588 7237 15230 17553 17822 12246 9831 2422 1 4791 5707 7523 7896 1 1 1 1 1 1 1 1 5247 7895 6985 6001 14513 15003 1 1 1 7227 1 1 5266 3804 1 1 13715 14455 4392 4847 450.1807 *450.1882* 450.1882@1.0884126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10536 1 1 1 1 1 1 1 1 1 5889 1 1 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5305 1 1 1 1 1 1 1 1 3358 1 1 1 1 1 1 1 1 1 1 5624 6925 1 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 1 1 1 1 450.1882 *450.2224* 450.2224@1.148097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9113 8890 1 1 2635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2224 *450.2552* 450.2552@1.2039018 1 5653 1 1 1 1 3120 1 1 1 1 1 1 1 1 1 6691 6278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3142 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6724 6439 1 1 1 1 4613 1 3253 3621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2552 *450.259* 450.259@1.2041179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8403 8275 1 1 6135 1 1 1 1 1 1 1 1 1 1 1 4727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.259 *450.2594* Tyr Arg Leu 29323 27952 7617 8172 1 1 77598 76590 9156 9986 1 1 1 1 1 1 1 1 33717 33249 12346 11093 44875 45598 19677 20207 17164 16471 34507 34845 1 1 125184 127754 1 1 17760 18059 1 1 16052 17102 22870 20897 13374 14091 1 1 1 1 15359 22350 1 1 21394 16277 26155 26365 32968 34147 8410 3178 1 1 60985 60684 1 1 46134 43804 21680 6627 8938 8871 11714 12009 17373 6116 68049 71329 10001 9341 23779 24894 17764 8613 1 1 21421 21952 450.2594 *450.2594* 450.2594@3.7589993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7445 1 1 1 1 1 1 1 1 1 1 3745 1 1 1 1 1 1 1 1 1 9909 1 1 1 1 1 11864 1 1 1 1 1 1 1 5213 1 1 1 1 450.2594 *450.2688* 450.2688@1.2063541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2688 *450.2713* 450.2713@2.064939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2713 *450.2973* 450.2973@1.1974924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 2505 1 1 1 1 1 1 1 1 1 1 1 2351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 1 1 450.2973 *450.3045* 450.3045@1.1472478 1 1 1 1 1 12969 3068 1 1 1 1 1 1 1 1 1 1458 1 3320 2068 1 1 1 1 1 1 11613 5782 1 1 1 1 1 1 1 1 7568 7001 1 3689 1 1 1 1 1 1 1 1 1 3906 1 1 1 1 1 1 1 1 5834 1 1 1 5044 3579 26403 23195 5600 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 2395 7103 2389 1 1 1 450.3045 *450.3092* 450.3092@1.1640815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6246 1 1 1 1 1 450.3092 *450.3184* 450.3184@1.1367682 1 1 1 1 14622 1 1 1254 5944 13980 1 6846 1 1926 1 1 1 1 1 1 1 1 1 1 1 6162 1 1 10709 9503 1 1 7866 2318 1 1 1 1 1 1 1 10102 1 1 6862 7996 3209 1 1 1 1 4453 1 1 1 4809 1 2605 1 12455 8087 8960 1 1 1 1 3879 27383 15650 1 4733 5358 12071 1 1 1 1 5567 3359 10234 1 1 6126 5510 1 1 1 1 2838 1 450.3184 *450.3197* 450.3197@1.1309407 1 1 4991 1 1 1 1 2715 1 1 8679 1 1 1 1 1 1 2935 1 3260 1 1 1 1 1 1 1 1 1 1 10280 8488 1 79591 1 1 1 1 5051 1 1 1 1 1 1 1 1 1 4234 1 1 1 1 1 1 1 18449 5058 1 1 1 1 1 1 31031 1 1 1 1 6912 1 1 1 1 8057 1 5872 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3197 *450.3301* 450.3301@1.1582987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3301 *450.3597* 450.3597@1.0849588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13038 1 1 450.3597 *450.3658* C27 H50 N2 O S 1 93438 84601 82872 181464 180888 129009 116486 144889 142717 222991 1 90093 93723 138291 134317 96210 77968 135605 121768 123599 119944 173733 175781 147531 150797 1 1 215050 215037 274440 252424 213797 238669 69384 70072 158654 160362 173533 172877 166221 162221 96252 101412 185803 189336 145901 142642 1 156204 268967 229236 110363 116624 141900 141048 1 1 1 1 1 1 82895 85473 1 1 211717 212388 183729 180073 1 1 90218 84473 102016 110352 230176 196600 181000 158431 1 1 153793 157941 182607 185754 204861 183576 118802 119239 450.3658 *450.9489* 450.9489@1.1114818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8144 7814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.9489 *451.0124* 451.0124@1.1272261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14555 18537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16076 15108 1 1 1 1 3556 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.0124 *451.2196* 451.2196@3.898766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5190 5293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.2196 *451.2204* 451.2204@3.7217033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51397 51483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.2204 *451.2626* 451.2626@3.7872968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.2626 *451.2809* 451.2809@2.062017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8625 7460 6556 11014 14812 15573 16596 3929 1 1 1 1 1 1 1 1 5170 6525 1 1 1 1 1 1 9379 27846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.2809 *451.2831* 451.2831@2.0357873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2421 1 1 1 1 1 11215 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 7027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.2831 *451.3326* 451.3326@1.1139355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 3149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.3326 *451.3573* 451.3573@1.0953647 1 1 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.3573 *451.9317* 451.9317@1.0194818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10258 10299 1 1 451.9317 *451.9671* 451.9671@1.0690156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8849 6646 1 1 1 1 1 1 1 1 451.9671 *452.0052* 452.0052@0.83268964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 3025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.0052 *452.0691* 452.0691@0.9720375 1 1 1 1 1 1 12476 10994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.0691 *452.0731* 452.0731@0.77606785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8653 8877 1 1 1 1 1 1 452.0731 *452.1349* 452.1349@2.2973442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6908 8564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.1349 *452.1433* 452.1433@0.9679843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38450 1 1 1 22820 1 1 1 1 1 1 1 452.1433 *452.1502* 452.1502@0.97654617 18053 1 5138 5230 1 1 1 1 1 28128 1 1 1 1 1 1 1 1 1 1 1 1 26346 26249 11223 12635 11140 1 14568 1 1 1 1 32672 7787 7074 1 1 1 1 1 1 15673 1 1 1 1 1 5449 1 21740 22595 1 1 1 1 1 1 1 1 1 1 100166 99834 1 1 1 6179 1 1 15436 1 1 1 1 1 1 1 1 1 1 1 1 16241 1 21018 1 1 1 1 452.1502 *452.1507* 452.1507@1.0015585 1 1 1 1 1 1 1 1 1 9880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.1507 *452.1894* 452.1894@0.9716409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.1894 *452.2006* 452.2006@1.0729403 1 1 6068 5979 1 1 8590 9101 1 1 1 1 1 1 1 1 45723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 1 1 1 1 1 1 1 97084 4384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 3591 1 1 1 1 1 1 8713 8633 1 1 452.2006 *452.2042* 452.2042@1.0608037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6653 2959 5676 1 5674 5742 3275 4106 1 1 2805 5430 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 2398 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 98719 1 1 1 1 1 1 1 1 1 1 3370 4246 1 1 1 1 1 1 1 1 1 2701 1 1 1 1 28197 27712 1 1 452.2042 *452.2115* 452.2115@0.9660964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 1 14880 17974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3649 1 1 1 1 1 1 1 1 1 452.2115 *452.2141* 452.2141@1.0866059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2141 *452.2284* 452.2284@1.0465981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2284 *452.2436* 452.2436@1.1762064 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2436 *452.2502* 452.2502@1.1890503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2502 *452.2738* 452.2738@1.1988053 1 1 1 1 3354 1 1 1 2732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 452.2738 *452.2802* 452.2802@1.2011517 1 1 1 1 1 7669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4709 1 1 1 3917 3727 1 1 1 1 1 1 1 1 1 1 2529 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2802 *452.2857* 452.2857@1.201598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6334 6266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2857 *452.2994* 452.2994@1.2045801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6088 2329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2994 *452.3094* 452.3094@1.1774758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.3094 *452.3205* C32 H40 N2 4108 4183 1 3508 1 1 1 1 7108 1 12362 10594 2550 4024 6734 5008 2837 1 2935 5125 1 1 10231 11177 1 9281 1 7717 18529 17311 1 1 16457 1 1 1 5457 10831 7470 8939 8321 1 3349 1 1 7966 4337 5433 9746 10281 7426 11045 3195 5858 9547 5563 1 9732 6648 1 10918 11765 5406 5622 27492 1 14341 1 1 6786 5231 6743 1 6303 1 7482 6886 8808 4937 1 4221 6774 11709 11441 10904 10076 2544 1 4854 1 452.3205 *452.3331* 452.3331@1.1156894 1 1 1 1 1 1 5280 7757 1 1 1 1 1 1 1 1 1 4030 1 1 8241 6612 1 1 8864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62524 1 1 452.3331 *452.3392* 452.3392@1.0885619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.3392 *452.3527* 452.3527@1.0664506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18946 1 1 1 1 1 1 1 1 1 1 1 1 16975 1 1 1 1 30365 41279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.3527 *453.0118* 453.0118@1.121494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6809 9478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.0118 *453.0739* 453.0739@0.71791106 1 1 1 1 3648 3525 3662 3941 6984 7004 1 2062 1 2456 5070 1 2738 3122 2466 2235 1 1 2950 3276 1 1 1765 2016 1917 1981 1 1 4309 4065 3676 1 1 1342 1 1 4855 4357 1 1 2782 2981 1 1 2653 2641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 5069 4921 1 1 1 1 1708 1 1 1 1 1 1 1 4239 4759 1 1 4583 4323 1 1 1 1645 453.0739 *453.0853* 453.0853@0.8338479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5444 5733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.0853 *453.0964* 453.0964@1.1237551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.0964 *453.1012* 453.1012@1.1270409 1 1 1 1 1 1 1924 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.1012 *453.1408* C21 H15 N11 O2 1 1 1 1 1 1 1 1 1 1 2008 2107 1 1 2521 2592 1 1 1 1 2733 3642 4265 3754 1 2090 2745 2993 4895 5031 1 1 3801 3389 1 1 3363 2938 3809 4423 2507 2756 4962 4411 1 1 1 1 1 1 3473 3428 2789 2893 1 2001 6025 6530 1 1 2348 1 1 1 3380 2923 1 1 3917 5588 7474 7010 1 1 1 1 2970 3467 4945 5067 2852 2671 6653 6403 4616 4336 1 1 3576 2990 453.1408 *453.1901* 453.1901@0.8891926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.1901 *453.2475* 453.2475@1.0199375 17360 16334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3181 2311 4125 4491 1 1 1 1 1 1 1 1 1 1 7541 7747 1 1 1 1 1 1 1 1 4369 4206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.2475 *453.2834* C23 H39 N3 O6 1 1 1899 2122 1 1494 2454 2523 1953 2086 1 1 1895 1 2581 2638 2046 1924 3900 3949 2030 2367 1972 2682 1839 1 1 1 1 1 4527 4419 1 1 1 1 1 1 1 2250 2694 2767 1 1497 1 1 1 1 2688 2854 2132 1830 1 1 1 1 2714 2779 3040 3589 1 1 1 1 3149 3239 1 1669 1 1 2774 2112 1 1 1 1 1 1828 3217 3438 2181 1 1 1 2448 2049 3834 3879 1 1 453.2834 *453.3154* 453.3154@1.1209797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.3154 *453.3251* 453.3251@1.1037556 3127 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.3251 *453.3322* 453.3322@1.1090623 1 1 1 1 1 1 1 1 1 1 1 1 2192 1 1 1 1 2611 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 2866 1 1 1 1 1 1 1 2894 3951 1 2197 1 1 3861 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 453.3322 *453.363* 453.363@1.0544558 1 1 1 1 1 1 1 1 1 1 1 17491 1 1 1 1 1 1 1 1 1 9116 1 1 1 1 6593 7761 1 1 1 1 1 1 6303 5708 1 1 1 1 1 1 1 1 1 1 1 1 15330 1 1 1 1 10511 1 1 21316 21676 10452 9514 10025 10300 1 1 1 6134 1 1 1 1 1 1 1 6966 7031 1 1 1 1 1 9240 9438 1 1 1 1 1 1 1 1 453.363 *453.9265* 453.9265@5.4295654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1 1 1 453.9265 *453.9289* C15 H2 O17 64256 64459 65409 64731 68521 69310 75097 74092 70949 71345 62537 62779 68412 67884 76895 74377 70550 72866 88849 88978 72467 72825 71779 70899 82643 83983 72217 71930 69518 69419 67419 69968 71366 71596 72030 71911 71044 72463 70204 68386 75367 75421 63093 65210 71936 73209 69412 70628 72833 73401 75471 78390 78455 77711 72018 68927 73175 73113 70356 68422 65870 65126 73204 73808 73234 75627 81414 83854 80431 80898 90111 90486 65432 67781 69636 72638 69964 72156 71157 74309 77120 78274 74918 75195 78188 76544 85783 85189 68418 70000 453.9289 *454.085* 454.085@3.8567784 1 1 1 1 1 1 19570 18456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.085 *454.0885* 454.0885@2.1415346 1 1 1 1 1 1 19516 18545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.0885 *454.0907* C28 H22 S3 1 1 1 1 1 1 1 1 1 1 15233 15828 25797 27480 1 1 7050 6930 6278 7100 1 1 2851 3051 1 1 1 3481 6531 6313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 3342 1 1 41723 41484 1 1 1 1 1 1 1 1 25236 25484 1 1 1 1 35047 32047 1 1 1 1 1 1 8358 7107 1 1 1 1 6379 9068 1 1 67455 65321 1 1 1 1 1 1 454.0907 *454.1168* 454.1168@1.6244339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1168 *454.1356* 454.1356@1.6316226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5164 5602 1 1 1 1 454.1356 *454.1459* 454.1459@2.058538 1 1 1 1 1 1 9941 11532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1459 *454.1493* 454.1493@1.3318439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7452 5257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1493 *454.1499* 454.1499@1.9983803 1 1 1 1 1 1 7296 6630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1499 *454.1537* 454.1537@1.0257547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4224 1 1 1 1 3547 1 1 1 1 1 1 1 1 1 1 454.1537 *454.1647* 454.1647@0.8058247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6864 6533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1647 *454.1812* 454.1812@3.6262097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1812 *454.1921* 454.1921@1.0136714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1921 *454.1944* 454.1944@1.1677126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2109 3414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1944 *454.2069* 454.2069@0.9174327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2069 *454.222* 454.222@1.0755125 1 1 3932 3713 1 1 7069 11505 1 1 1 1 3695 1 1 1 98693 85577 1 3942 3183 1 1 1 1 1 2614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16127 16406 1 1 1 1 1 1 277603 275168 1 1 1 1 1 1 1 1 1 1 3680 2974 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 137179 137111 1 1 454.222 *454.2283* 454.2283@0.8985016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4617 5063 1 4281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2283 *454.2355* Trp His Ile 1 1 1 1 1 1 1 1 7774 7937 4965 4623 1 1 8752 8779 1 1 6623 6634 8846 8715 5712 6039 4591 4432 1 1 27312 25122 7186 7395 20067 20419 1 1 4454 4360 4535 4512 2657 2860 1 1 11157 10742 1 1 1 1 10206 8074 1 1 4440 4081 1 1 1 1 1 1 5510 5300 5989 5618 50248 50462 1 1 1 1 5984 6604 1 1 1 1 4941 5603 1 1 1 1 1 1 1 1 3235 1 454.2355 *454.2574* 454.2574@1.1787817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4734 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5297 1 1 1 1 1 1 1 1 1 1 1 1 454.2574 *454.2801* 454.2801@0.86387527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6781 6908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2801 *454.2904* 454.2904@1.7228231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14128 17741 1 1 1 1 1 1 1 1 1 1 7950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4214 5658 19770 1 1 1 1 14166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2904 *454.2931* 454.2931@1.2103127 1 1 1 1 4345 1 1 1 1 1 1 1 1 1 3916 4097 1 1 1 1 1 1 1 1 1 1 1 1 10367 10564 2640 3449 5142 4766 1 1 1 1 3969 3368 1 1 1 1 1 1 1 1 1 1 4708 4045 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 10453 10827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3711 3197 1 1 1 1 454.2931 *454.3139* 454.3139@1.1887271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2213 1 1 1 1 1 1 1 454.3139 *454.3234* 454.3234@1.1814322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 454.3234 *454.331* C32 H42 N2 29414 36355 1 17268 69106 54660 30121 1 58498 62103 73921 74335 19914 1 24155 30670 59895 65388 19951 1 25000 35042 73150 82088 38106 36508 44745 42574 113195 102075 1 38753 152199 1 15525 1 80503 79748 57199 47871 49938 74432 1 1 96430 103711 21007 49674 61076 55246 59012 58084 53311 61214 54920 55227 2177 81596 80142 78521 26286 6704 18969 18413 186785 131736 90854 33197 65013 66165 1 47739 56624 29355 45097 34130 36823 60905 31415 43761 50571 18222 84938 83546 86797 74796 15995 1 53553 1 454.331 *454.3323* 454.3323@1.1113069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.3323 *454.336* 454.336@1.1046358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103382 1 1 1 1 1 1 1 1 53297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.336 *454.3412* 454.3412@1.0908157 1 1 33154 1 1 1 1 32216 1 1 1 1 1 32853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156321 1 1 1 1 1 1 1 1 1 1 1 26236 22600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92060 1 1 12449 1 1 1 118624 1 1 1 1 1 1 1 1 1 1 1 1 1 63702 1 1 1 1 1 1 1 73689 454.3412 *454.3558* 454.3558@1.0644226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16192 18974 1 1 14591 1 1 1 1 1 1 1 1 1 1 14958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.3558 *454.3614* C18 H47 Cl N10 O 15930 9771 1 20118 34472 32638 1 1 24727 18586 1 37674 9255 1 24388 27137 1 9515 1 1 21432 23192 38459 29071 30272 30647 14836 13695 49778 32701 1 54015 39574 1 16548 16970 1 1 26438 36417 26772 25544 15922 20855 33645 34717 43975 22070 39875 29649 1 37017 19764 19564 30701 30495 51333 74503 1 1 1 1 1 1 10552 12781 1 1 50173 36815 1 1 5313 1 20826 12224 1 39990 1 30835 28246 1 1 1 1 1 1 1 26379 21153 454.3614 *454.3749* 454.3749@1.0368035 1 1 1 1 1 1 1 1 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 3797 1 1 1 1 1 1 1 1 5200 1 1 1 3004 1 3582 1 1 1 1 3326 3006 1 1 1 4294 1 1 1 1 454.3749 *454.9665* 454.9665@1.1005383 1 1 1 1 1 1 1 1 1 1 22158 21852 1 1 1 1 1 1 1 1 1 1 28352 28471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.9665 *455.0264* 455.0264@1.1113611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5737 1 1 1 5226 6565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.0264 *455.0555* 455.0555@0.7209792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.0555 *455.0602* 455.0602@0.7171772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.0602 *455.079* 455.079@0.7040212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.079 *455.0972* 455.0972@2.0930731 1 1 1 1 1 1 3324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.0972 *455.1007* 455.1007@1.128 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.1007 *455.1081* 455.1081@1.9526862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4846 1 1 1 1 455.1081 *455.109* 455.109@1.9053998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11169 7506 1 1 1 1 455.109 *455.1544* 455.1544@0.96629274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.1544 *455.157* C25 H29 N O3 S2 4054 3808 4629 5340 1 1 5371 5223 1 1 1 1 1 1 1 1 1 1 1 4008 8987 8779 5168 5212 4198 4318 6145 6313 6099 5439 1 1 3645 3491 3901 3852 6525 5331 3833 3563 8868 7313 5640 6131 5052 4515 1 1 4519 5813 5256 5197 5144 5503 6520 6769 5528 4872 5083 4960 4256 3404 17903 17515 9506 10477 1 1 5526 6273 8053 7917 3080 1 4009 3466 7611 6863 7823 6452 1 1 12990 13268 6793 5848 1 1 5241 5200 455.157 *455.1705* 455.1705@2.8060846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 455.1705 *455.1831* 455.1831@1.1256368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.1831 *455.1913* 455.1913@5.742943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3378 3573 1 1 455.1913 *455.1923* 455.1923@6.341554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2761 5573 1 1 455.1923 *455.1925* 455.1925@6.201087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4351 5222 1 1 455.1925 *455.2101* 455.2101@1.096679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3000 4014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.2101 *455.2634* 455.2634@1.0253179 5439 4962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.2634 *455.3367* 455.3367@1.106945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 1 1 1 15337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.3367 *455.348* 455.348@1.0804942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5898 1 1 1 1 8760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.348 *455.3628* 455.3628@1.0641234 1 1 1 1 1 1 1 1 1 1 1 1 3904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8849 11014 1 1 1 1 1 1 1 7729 1 1 1 1 1 1 1 1 1 1 7095 1 1 5605 1 1 1 1 1 1 1 6179 5596 1 1 1 1 1 7954 1 1 1 1 2678 1 1 1 1 1 1 1 1 1 6216 5151 6777 6913 12542 1 1 1 455.3628 *455.366* 455.366@1.0552115 1650 1 1 1 1 1 3646 1 1 1 7982 1 1 1395 1 1 2980 1 4143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8568 1 1 3185 2930 1 1 1 3328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 1 1 1 1 1 1 7041 1 1 1 1569 1 1 1 1 1 8671 1 6960 1 1 2390 1 1 1 1 1 6529 1 1 455.366 *455.3816* 455.3816@1.0430048 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.3816 *456.0505* 456.0505@0.7685357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.0505 *456.0604* 456.0604@0.76555705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.0604 *456.0613* 456.0613@3.0585804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4170 3861 1 1 1 1 1 1 1 1 1 1 456.0613 *456.0909* 456.0909@2.0740736 1 1 1 1 1 1 11058 11838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6566 11075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10300 6837 1 1 1 1 10648 10235 1 1 1 1 456.0909 *456.1551* 456.1551@1.0315543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1551 *456.1606* 456.1606@4.456058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17229 29486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1606 *456.1608* 456.1608@4.9895577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1608 *456.1609* 456.1609@5.087919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9455 30511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1609 *456.1611* 456.1611@5.680341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74916 122473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1611 *456.1612* 456.1612@4.593959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53995 80649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1612 *456.1612* 456.1612@5.1663656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1612 *456.1616* 456.1616@5.6257086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1616 *456.1634* 456.1634@4.285655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659901 2708024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1634 *456.1643* 456.1643@1.1337115 1 1 6670 7089 8321 8161 1 2652 7439 7095 4976 4479 5373 5964 2086 1 7302 7327 1 1 1 1790 1 1 1 1 1 1 1 1 3317 2180 2367 1580 1 1 1 1 1 1 1 1 2958 2983 1 1 1 1 2618 1 1 1 1910 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1643 *456.172* 456.172@1.1356853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.172 *456.1801* 456.1801@1.1347127 1 1 1 1 1 1 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1801 *456.1965* 456.1965@3.1529853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1965 *456.1968* 456.1968@3.0639498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1968 *456.2092* 456.2092@1.0996255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.2092 *456.224* 456.224@1.110111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 456.224 *456.2525* Sulfolithocholic acid 29466 29515 13863 14199 11991 11554 10550 10872 116034 113676 9547 9816 10196 10126 27765 25743 43430 42865 22759 23727 14282 14136 39487 40194 53327 53661 46960 45855 33387 33780 18630 19934 149026 149521 11561 11463 24849 25173 35078 33603 14699 14235 19591 19647 42662 43536 1 1 7421 7883 46011 47587 21482 21315 6129 5691 6922 6816 16683 17008 8326 9007 20601 21886 35515 34972 100777 100119 6634 7947 26644 26950 38769 39409 39067 37991 20163 20888 17585 18886 21041 20747 6405 6768 30768 30257 3544 3054 14509 14167 HMDB00907 456.2525 *456.3219* (22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitamin D3 / (22S)-1alpha,22,2 107973 107844 54279 32842 5575 1 81625 70601 18064 18264 62274 68747 118153 109614 265752 265094 18297 21409 5187 1 1 1 118358 123526 291108 277427 322597 263339 317716 315678 1 1 12651 12723 51855 49590 66858 1 10280 11275 117007 116815 17935 24743 17937 19186 15520 16516 1 1 178639 177596 15712 8919 121570 124241 7205 9256 65588 55434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31105 25911 1 1 1 1 1 1 1 1 456.3219 *456.331* 456.331@1.1348876 1 1 1 1 1 1 1 18993 4236 1 1 3015 1 1 1 1 1 1 1 1 1 6325 3331 1 1 1 1 1 3733 2496 1 1 1 2953 1 1 52462 45017 1 5525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2895 1 1 1 1 1 1 1 1 1 8383 1 1 1 1 1 1 1 1 1 3177 1 1 1 1 456.331 *456.3385* 456.3385@1.1269785 1 1 1 1 1 1 1 1 1 1 2978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108914 1 41238 1 1 1 1 1 1 1 1 1 18728 1 1 4699 1 1 1 1 1 4342 6950 1 1 1 1 1 1 2806 1 5788 13725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8863 1 1 1 2872 1 1 1 1 1 1 1 456.3385 *456.3413* 456.3413@1.0881438 1 1 1 1 9491 37927 1 1 1 12726 1 1 1 1 1 1 1 1 28059 34691 22120 17061 1 1 1 1 1 1 1 1 1 1 1 7012 1 1 1 1 19939 1 24580 1 1 1 6933 1 1 1 1 1 1 1 1 1 1 1 25041 1 1 1 8604 10026 16369 8597 1 64919 21076 1 1 3360 6106 1 4902 21521 1 27690 15585 1 27662 33714 1 1 10666 1 1 6572 10385 1 1 1 456.3413 *456.3499* 456.3499@1.0776018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14089 9726 5978 1 1 1 1 1 1 1 1 1 1 1 456.3499 *456.3604* 456.3604@1.0797758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.3604 *456.8935* 456.8935@4.3062687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.8935 *456.9785* 456.9785@4.3052697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.9785 *457.1082* 457.1082@2.0608478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4793 4644 1 1 1 1 1 1 1 1 3874 4223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3765 4067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.1082 *457.1459* C19 H33 Cl2 N O5 S 9260 9235 4004 3995 5490 4817 1 1 1 1 9187 9491 1 1 1 1 1 1 1 1 8097 7579 1 1 4581 4670 11469 11748 11825 11640 1 1 9444 9187 1 1 11440 12361 10237 10502 8122 7835 9115 8990 8797 8709 7758 7532 6918 7514 1 1 3885 4007 10593 10357 8324 8685 8065 7936 6037 6282 6465 6380 8593 7972 8605 7908 5528 6329 4825 4966 8587 8648 1 1 6177 6419 6347 5433 4922 5157 1 1 9938 9566 5032 5117 7711 8373 457.1459 *457.1644* 457.1644@5.627204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.1644 *457.2073* 457.2073@1.9767126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207977 221028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.2073 *457.3245* 457.3245@1.0209969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3245 *457.3356* 457.3356@1.0996201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3356 *457.3437* 457.3437@1.1063935 1 1 5102 1 6845 1 1 1 7193 1 1 1 1 1 5348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 6825 1 1 1 1 5662 1 1 1 1 1 5724 1 1 1 1 1 1 1 1 1 1 1 14580 1 10746 1 1 1 1 1 1 1 1 1 8431 1 1 1 1 1 1 7781 1 1 1 1 1 1 457.3437 *457.3514* 457.3514@1.1022311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3514 *457.4252* 457.4252@4.279285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.4252 *458.1059* C24 H26 O3 S3 1 1 4496 1 1 3752 1 1 5890 5848 1 3372 5721 6076 12324 11045 4956 4997 1 4884 3739 4090 4095 1 8947 9376 3813 1 5465 5188 3837 1 1 1 1 1 7066 7049 4758 4577 8481 8998 1 1 1 1 5526 5396 7341 6733 4996 5467 6981 7108 5892 6090 5684 5580 4850 4543 5969 6247 5112 5777 1 1 1 1 6479 6702 1 4888 1 1 6191 5959 4840 5292 1 4424 5850 5756 1 1 1 1 6974 7076 1 1 458.1059 *458.1201* 458.1201@1.5626242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9481 10533 1 1 7962 6925 1 1 1 1 1827 4572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.1201 *458.1205* 458.1205@3.686274 1 1 1 1 1 1 18514 23565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20759 22018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5334 1 1 1 1 1 1 1 458.1205 *458.1216* 458.1216@3.711636 1 1 1 1 1 1 5499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.1216 *458.123* 458.123@1.5751616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.123 *458.1316* 458.1316@2.7015567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9838 8715 1 1 1 1 458.1316 *458.1419* 458.1419@2.8784263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.1419 *458.1426* C20 H26 O12 45196 45566 19575 20087 27226 25867 1 1 1 1 47246 48510 1 1 14394 10047 1 1 14264 15116 39165 28732 1 1 23031 23488 56838 56276 57228 58309 1 1 46633 46023 1 1 57669 59450 50036 52123 40860 41497 46301 46255 44801 45611 39772 40367 34823 34579 10479 10755 20156 21838 53653 54591 42538 39307 42295 37221 30935 31795 31529 34003 43119 42234 42224 41137 26221 30967 21910 23525 46155 44382 1 1 30534 31596 32014 25163 27377 24789 1 1 50932 48704 24462 25185 38851 38004 458.1426 *458.1578* 458.1578@0.8412554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12696 13400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.1578 *458.1679* 458.1679@1.1515316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7951 6186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.1679 *458.1991* 458.1991@1.0105311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 3099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.1991 *458.2027* 458.2027@0.6974163 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 6169 5876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.2027 *458.2317* 458.2317@1.0826029 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.2317 *458.2327* 458.2327@1.097488 1 1 1 1 1 1 3705 1 3009 1 1 1 2657 2731 1 1 3565 1 1 5773 5468 6280 1 5037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 458.2327 *458.2425* 458.2425@1.0765039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.2425 *458.2727* 458.2727@1.061459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.2727 *458.2819* 458.2819@1.2062323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2125 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.2819 *458.295* 458.295@1.0401199 1 1 1 1 1 1 1 1 3167 1 1 1 1 1 1 1 1 1 2805 1 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 1 4364 1 1 1 1 1 458.295 *458.3045* 458.3045@1.0372626 135517 134670 1 1 5122 1 1 1 1 4832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61691 1 1 1 1 1 1 1 1 41285 40325 7747 3062 90968 89481 1 1 1 3741 17801 16145 1 1 71370 69488 1 1 1 1 1 1 1 8440 4072 1 1 1 4169 9585 1 1 3823 1 1 1918 1 1 1816 1 1 1 1 1 58394 57119 7369 7642 1 1 1 1 1 1 458.3045 *458.3046* 458.3046@1.0698328 59853 1 1 1 1 4577 1 1 1 1 8414 1 1 1 1 1 1 1 1 1 1950 2949 1 1 1604 1 1 36119 1 1 3419 14524 1 1 1 1 1 1 1 4692 1 1 2424 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 1 1 1 1 4607 1 1 5252 1 1 1 1 2919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2895 1 3120 1 1 458.3046 *458.3204* 458.3204@1.0895392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9153 1 1 1 9243 1 1 1 1 1 1 1 1 1 9325 11283 1 1 1 1 1 1 4912 1 1 1 1 1 1 1 1 4529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 3495 1 10161 1 1 1 1 1 1 1 1 1 458.3204 *458.3382* 458.3382@1.1554215 1 1 1 1 1 1 1 1 4709 3830 1 1 1 1 1 1 1 1 1 1 1 1 3247 3807 1 1 1 1 1 1 8279 1 2979 2608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23055 25776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3394 1 1 1 1 1 458.3382 *458.3438* 458.3438@1.1414161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37016 1 1 1 1 1 1 1 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 5667 6493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.3438 *458.3573* C14 H38 N18 1 1 9896 7936 23052 29883 11192 9608 23609 25401 26695 80956 13199 14937 21811 20337 1 1 19746 19685 9637 15287 23818 26317 18519 19296 1 1 46445 116614 1 1 1 43019 8250 8578 1 1 13360 1 1 37727 14003 15228 1 1 15395 14767 1 29613 1 1 22220 21415 25942 25303 1 1 22333 22518 1 1 14807 15039 7385 58348 32300 1 46905 3437 11043 12227 15240 16327 15687 1 25396 26461 1 1 1 1 23030 21480 18150 67863 1 1 22716 1 458.3573 *458.3581* 458.3581@1.1026702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69988 1 1 1 1 1 1 56581 1 1 1 1 45017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.3581 *459.0631* 459.0631@0.7865117 1 1 1 1 1 1 2954 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.0631 *459.0806* 459.0806@1.1229792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3212 2726 1 1 459.0806 *459.3516* 459.3516@1.107677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.3516 *459.3576* 459.3576@1.1050135 1 1 1 1 6550 1 1 1 1 1 1 1 1 1 1 1 4435 4488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9834 1 1 1 1 1 1 1 1 1 1 1 5541 4720 1 1 6405 1 1 1 1 1 1 1 1 1 1 1 5384 5137 1 1 1 1 1 8181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2952 1 4421 459.3576 *460.0228* 460.0228@0.8330925 5298 4770 1 1 1 1 1 3871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2312 1 1 460.0228 *460.0274* 460.0274@0.7912726 1 1 1 1 1 1 5704 5664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 1 1 1 460.0274 *460.0905* 460.0905@1.1766473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.0905 *460.1871* 460.1871@4.3074536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6733 6314 1 1 1 1 1 1 1 1 460.1871 *460.1878* 460.1878@1.1017864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103791 90621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163140 159185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.1878 *460.195* 460.195@1.1001811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107182 105799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.195 *460.2021* 460.2021@1.0935814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2021 *460.2088* Gln Trp Gln 44189 44240 58297 57632 20433 20988 78515 77506 63603 62662 41339 42865 47798 48332 34723 33652 1 1 31780 29892 20728 20361 65372 66870 30757 30864 22613 19288 20376 21179 17828 17868 1 13121 16215 16322 9151 8545 7634 6474 62004 62205 10462 9301 17281 18071 15589 16939 32212 31544 51035 53000 1 53622 43709 42985 19874 18963 13413 13783 37268 35789 23605 24219 1 1 34683 34919 12797 12550 24070 25363 22177 22249 46802 46841 14723 15390 30424 33433 17550 16083 26306 26773 18581 19341 41633 41316 19216 19771 460.2088 *460.2482* 460.2482@1.1395819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 460.2482 *460.2563* 460.2563@2.3127553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10849 10773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6584 10986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2563 *460.27* 460.27@1.1361138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.27 *460.2799* 460.2799@1.1958364 1 1 1 1 1 1 1 3027 2637 1 1 1 1 1 1 1 3451 3395 1 1 1 1 1 1 4692 4913 1 3042 3967 7962 1 1 5837 1 1 1 1592 1 2397 2762 3867 3733 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 3230 1 1 1 1 4812 4744 10829 9787 1 1 1 1 4443 4802 5255 4625 1 1 1 2087 1 1555 1 1 1 1 1 1 1 1 460.2799 *460.2834* 460.2834@1.172407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 1 5998 1 6308 1 1 1 1 1 1 1 1 1 1 2643 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2834 *460.2914* 460.2914@1.1699533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2914 *460.2981* 460.2981@1.1312021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2981 *460.3119* 460.3119@1.1066928 1 1 1 2742 1 1 1 3253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4015 1 1 1 1 1 1 1 1 1 18917 17131 1 1 1 1 1 1 1 1 1 1 1 1 27328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3119 *460.3181* (24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / (24R)-1alpha,24,25,26-tetrahydroxyergocalciferol 1 6624 1 4218 1 1 1 1 19228 24071 15904 17698 12018 2074 12906 19500 1 1 13232 9898 9300 8026 16474 18200 1 1 1 1 7069 1 1 1 28279 19665 8972 8135 18970 78406 1 7299 23199 21763 7126 1 1 1 8254 11688 12087 12963 1 1 16798 22191 15679 20477 1 1 63167 66969 14686 11340 1 9967 1 1 22944 24057 1 1 15895 15549 11158 13211 62543 1 1 14816 13084 8673 1 20873 11550 15205 1 1 1 1 12043 9740 460.3181 *460.323* 460.323@1.0790039 1 1 1 1 14889 1 1 1 1 1 1 1 1 7003 1 1 1 1 1 1 1 1 1 1 24894 89881 25371 1 1 1 10738 1 1 1 1 1 1 1 1 1 1 1 1 42684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.323 *460.3281* 460.3281@1.0662092 1 1 1 1 1 1 6614 5794 1 1 1 1 1 1 5233 1 1 3575 1 4957 1 1 1 1 1 1 1 1 16615 39876 1 1 1 6643 1 1 1 1 10562 1 1 1 4062 1 16669 17633 1 1 1 5009 7624 9431 1 1 5079 1 11366 83829 1 5725 1 1 1 1 22450 1 1 1 15550 1 1 1 1 1 1 1 11182 1 1 1 21642 1 1 1 14864 1 35865 6458 1 2800 460.3281 *460.342* 460.342@1.0499979 1 1 1 1 1 1 1 1 1 1 7057 6385 1 1 1 1 4761 1 1 1 5426 1 11674 10732 1 1 1 1 1 1 9791 1 1 1 1 1 1 1 10670 14506 1 1 1 1 1 1 5924 7872 4988 1 1 1 1 7130 1 1 49477 1 7287 1 1 12796 1 1 1 18075 1 1 5080 1 1 1 3829 3144 1 4202 1 1 8339 7201 1 1 6804 3976 1 1 1 1 1 1 460.342 *460.3456* 460.3456@1.047423 1 1 1 1 7925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8104 1 1 1 1 1 1 1 1 1 1 1 1 12028 11444 1 1 1 1 1 1 6670 1 1 1 1 10329 1 1 9804 1 1812 1742 7775 1 1 1 1 5945 1 1 1 1 1 1 11819 9141 1 1 1 1 1 1 13198 1 1 7262 1 1 460.3456 *461.017* 461.017@1.0705962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4202 1 1 461.017 *461.022* 461.022@1.0714012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2501 1 1 1 461.022 *461.084* 461.084@1.123977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 2897 1 1 461.084 *461.1126* 461.1126@1.5818386 1 1 1 1 1 1 1 1 1 1 1 1 1 4579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.1126 *461.1131* 461.1131@1.566022 10207 3420 1 1 1 1 1 1 1 1 11162 10871 7612 2865 1 1 1 1 29880 29926 11664 12110 23296 23448 1 1 1 1 18018 17181 5108 5056 7283 7566 1 1 1 1 1 1 1 1 1 1 18986 18318 10754 10797 1 4676 2388 5730 1 1 1 1 12838 11628 1 1 1 1 1 1 1 1 1 1 1 1 5144 1 1 1 1 1 1 1 11151 10232 5535 5834 1 1 2973 3382 1 1 1 1 461.1131 *461.1296* 461.1296@0.9591243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 3907 1 1 3422 1 1 1 1 1 1 1 461.1296 *461.3179* 461.3179@1.0700741 11919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.3179 *461.3285* 461.3285@1.0780115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11454 1 1 3446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.3285 *461.3357* 461.3357@1.068978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4854 1 1 1 1 1 1 1 1 1 1 461.3357 *461.3495* 461.3495@1.0513328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.3495 *461.9391* 461.9391@0.7041955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4331 3891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6671 5861 1 1 1 1 1 1 1 1 1 1 1 1 461.9391 *462.0817* 462.0817@5.3375335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5112 5163 1 1 462.0817 *462.1628* 462.1628@2.990549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22291 14870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.1628 *462.1635* 462.1635@3.1086082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4380 5970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.1635 *462.164* 462.164@4.280157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5904 5897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.164 *462.2012* 462.2012@1.030552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3671 3812 1 1 1 1 1 1 1 1 462.2012 *462.2135* 462.2135@1.0346179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 12776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.2135 *462.2634* 462.2634@1.030294 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.2634 *462.3109* 462.3109@1.185484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.3109 *462.3266* 462.3266@1.1514184 1 1 1 1 1 1 1 1 1 1 4707 1 1 1 1 1 1 1 1 1 1 1 1 1 4262 1 2802 1 1 1 1 1 1 1 1 1 3974 1 1 1 1 1 1 1 1 1 2617 1 1 2586 2555 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 462.3266 *462.3332* 3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acid 38595 45713 25514 24709 56807 58820 32556 32451 36814 55854 72125 58275 28140 25530 43301 41952 24374 24719 41891 25220 42562 41892 71077 68935 70491 9615 31366 51899 89403 79515 44718 1 78025 110357 25632 26471 61710 7613 49592 33228 19318 66608 31104 1 59242 82414 53332 55358 58958 35347 18563 40371 39391 43193 56405 60745 41418 15857 8533 8725 74869 55742 24291 33396 115486 99846 68988 61513 38635 40930 23133 46835 42241 57951 1 34504 58292 50377 44787 44499 38499 46423 73277 45547 78166 51667 21299 313806 33309 21591 462.3332 *462.3367* 462.3367@1.0912646 6590 1 1 1 1 1 1 1 19260 1 1 9492 1 1 1 1 1 1 1 13126 5282 1 9436 1 1 1 1 1 9262 1 1 1 1 1 1 1 1 1 23956 23243 54789 1 1 1 1 1 1 1 1 20063 537898 1 23834 22346 5596 1 1 1 1 1 25175 22213 12179 1993 1 18155 1 25028 28524 1 23944 1 6292 1 1 12537 1 5228 1 1 1 9240 5252 19511 1 1 1 1 1 20839 462.3367 *462.3371* 462.3371@1.056905 1 1 1 1 19796 17748 4730 5099 1 1 1 1 5456 6799 7476 6199 6124 5483 1 1 1 6651 1 1 1 1 31772 11792 1 18464 22304 503046 15363 1 1 1 1 1 1 1 1 1 1 1 25434 1 1 1 1 1 1 38793 1 1 1 1 1 1 1 1 1 1 1 1 21454 19254 21692 1 1 24489 1 1 1 1 1 1 21062 21918 19997 20445 8916 1 1 1 1 1 1 1 5308 1 462.3371 *462.3487* 462.3487@1.0465964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5789 1 1 462.3487 *463.0211* 463.0211@1.0673543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 3211 1 1 1 1 1 1 2390 1 1 1 463.0211 *463.1312* 463.1312@0.74673074 1 1 1 1 1 1 1 1 3907 3217 1 1 1 1 1 1 1 1 1 1 1 1 6978 10078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 1 1 1 1 1 1 1 1 1 1 1 2165 2483 1 1 1 1 1 1 1 1 1 1 1 1 5050 4607 1 1 1 1 1 1 1 1 1 1 3169 3202 1 1 1 1 1 1 463.1312 *463.1428* 463.1428@0.97671056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3958 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.1428 *463.1816* 463.1816@5.0613494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4053 1 4754 4728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4280 4244 1 3733 1 1 1 1 1 1 463.1816 *463.2085* 463.2085@2.1413314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.2085 *463.2087* C30 H29 N3 S 25266 25688 12536 14244 1 1 1 1 12125 11327 19177 19117 11505 12697 5869 1 1 1 16353 16358 9165 9131 13992 13375 20478 17608 26317 24675 12319 12950 13636 14035 32032 31938 1 1 13704 12837 16687 17406 17658 18609 11141 10906 27845 27764 9551 9024 12980 12510 11828 11618 6042 5804 8560 8781 29170 29594 28497 28510 13743 13540 10054 9127 34375 36327 25856 24773 9513 9536 33348 32790 15349 14910 10317 11840 26238 27189 44401 48223 44177 43220 17374 17270 9346 8615 1 6569 21456 22787 463.2087 *463.2485* 463.2485@2.6090698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7711 1 1 1 1 7393 6959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7909 8597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.2485 *463.3322* 463.3322@1.1327848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.3322 *463.3375* 463.3375@1.0889621 1 1 1 1 1 1 1 1 1 1 1 8263 1 1425 1 1 1 1 1 3610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17147 1 5790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7021 1 1 1 8034 1 1 1 1753 1 463.3375 *463.3566* 463.3566@1.0427183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.3566 *463.9709* 463.9709@0.84115154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3390 3676 1 1 1 1 1 1 1 1 1 1 1 2471 1 1 1 1 1 1 1 1 1 1 1 1 6464 6703 1 1 1 1 1 1 1 1 1 1 1 1 463.9709 *463.981* 463.981@2.8028278 1 1 1 1 1 1 18562 18407 1 1 1 1 9933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.981 *463.9818* 463.9818@2.5625901 1 1 8345 19685 1 1 79896 91479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84433 82526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21370 23470 1 1 1 1 1 1 1 1 463.9818 *463.9818* 463.9818@2.6724744 1 1 40764 1 1 1 1 48735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.9818 *463.9821* 463.9821@2.6355135 1 1 1 39896 1 1 1 18088 1 1 1 1 46339 35894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21025 14267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.9821 *464.0806* 464.0806@0.8351677 7904 7816 1 1 1 1 1 1 1 1 1 1 11355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.0806 *464.082* 464.082@0.8399498 1 1 1 1 1 1 1 1 1 1 1 1 1 12673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5520 6115 1 1 1 1 1 1 1 1 1 1 1 1 5217 4753 1 1 1 1 1 1 1 1 464.082 *464.0831* 464.0831@4.031743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10022 7367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.0831 *464.0909* 464.0909@0.85616136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3632 3599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.0909 *464.1014* 464.1014@2.8476381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7724 7632 1 1 1 1 464.1014 *464.108* 464.108@1.067388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6682 8039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.108 *464.164* 464.164@4.2028036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6823 6999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23566 24798 1 1 1 1 1 1 1 1 464.164 *464.2298* 464.2298@1.0240926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 3775 3608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.2298 *464.2413* 464.2413@1.0250931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4306 4546 1 1 1 1 1 1 1 1 4319 4083 5467 5892 5924 7276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.2413 *464.3102* 464.3102@2.0193155 1 1 1 1 1 1 1 1 1 1 4450 1 1 1 1 1 6741 7474 4816 3600 1 1 8047 1 1 5827 1 1 11865 13094 1 1 2568 6257 1 1 5924 4801 9001 6469 1 1 1 5766 6514 8740 1 1 1 1 1 8140 6405 6240 1 1 1 1 1 1 11258 6452 4547 1 1 1 16585 17717 1 1 1 1 6982 6974 1 1 1 1 1 1 1 7737 1 1 1 5065 1 1 1 1 464.3102 *464.3111* 3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid 13116 9703 3928 4416 3948 8236 1 3636 6302 3955 13674 15011 1 1 1 4424 7639 8178 5367 7043 3913 5311 5598 4418 12320 4742 8512 4404 9952 9121 1 1 7543 9449 1 1 5430 6974 3644 8396 1 1 5489 5263 10204 9669 9173 4715 8396 4506 7885 2219 6376 6102 3698 3811 1 1 5321 5393 11881 11198 9175 10719 3754 3504 16461 15057 6640 6944 5485 3993 5685 5711 1 1 4083 3592 5130 1 24392 18974 7135 11443 17961 13114 1 1 10268 9382 464.3111 *464.3111* 464.3111@2.4336467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.3111 *464.312* 464.312@2.5630105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6182 6079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4468 5246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8077 4916 1 1 1 1 1 1 1 1 1 1 1 1 10857 8131 1 1 1 1 1 1 1 1 464.312 *464.312* 464.312@2.652034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.312 *464.3237* 464.3237@1.2058318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.3237 *464.3398* 464.3398@1.15357 1 1 1 1 1 1 1 1 1 4609 9601 1 1 1 1 1 1 1 1 1 1 1 1 1 3905 6553 1 3662 30288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5983 1 1 1 1 1 1 1 1 1 1 5753 1 4205 1 1 4299 1 1 1 3371 1 4901 8255 3656 1 4259 2987 1 1 1 1 1 1 1 1 2908 1 1 1 1 1 1 1 5479 464.3398 *464.3428* 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 20745 1 1 7648 1 20412 26558 18279 117641 1 1 10106 3922 1 8797 74481 1 1 24492 23109 1 1 10152 1 1 1 10884 1 163448 1 9815 25021 33425 1 4868 5120 1 7126 21253 7577 7711 16503 10018 1 9686 1 24898 1 3263 13524 9464 8944 1 4757 7914 8256 1 11312 1 1 1 19260 76193 7353 19421 17992 27139 9186 133785 59071 5445 1 1 1 1 6662 31394 22404 7380 5247 5911 1 1 12531 9304 9902 1 1 5941 1 464.3428 *464.3484* Castasterone 83042 103615 69709 61692 220534 210416 67677 74365 35623 149938 200560 199818 83110 87706 119034 49795 78007 78623 82394 85036 111887 116664 185809 195448 172143 169186 112912 156570 58175 216229 154711 1 214165 220634 58398 57542 171055 173408 166027 180861 195730 188416 79529 90529 176867 161038 108317 133741 169338 154888 1 213412 162891 159812 153241 149340 193729 189319 148937 155195 192221 184184 19346 90083 312252 311583 191530 229094 55431 133721 100961 100928 121188 116230 116738 114233 186671 185592 145685 148362 124230 128512 172897 183395 196410 195745 114773 1 110977 105676 464.3484 *465.1097* 465.1097@0.7574539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9272 9011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.1097 *465.1497* 465.1497@1.0898223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4370 6819 1 1 1 1 1 1 1 1 465.1497 *465.1985* 465.1985@4.9459395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6446 6620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.1985 *465.3065* 465.3065@5.647921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10736 11009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.3065 *465.3072* 465.3072@5.445909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2390 16639 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2488 2428 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.3072 *465.3074* 465.3074@5.484652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.3074 *465.3511* 465.3511@1.1128103 1 1 1 1 5045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36408 1 1 1 12197 1 1 1 1 1 2672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3388 4716 6701 3415 1 1 2466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 465.3511 *465.8103* C10 H4 Cl2 O9 S4 5539 5586 3512 3959 4583 4983 3808 4001 3664 3909 8729 6769 4260 3854 4595 4479 4100 4205 5047 4873 4320 4342 4125 4241 5135 4949 4589 4667 4750 4995 4693 4589 4901 5093 5279 5170 4029 4086 4743 5064 4314 4346 3822 4339 4280 3999 3465 3844 3550 3340 3813 3747 4363 4503 3711 3540 4367 4168 5099 5077 5753 8067 5820 5907 4643 4091 4031 4449 3713 3955 5748 6108 4075 3799 4384 4273 3860 3956 5475 5707 4449 4597 5205 5367 4467 4651 4904 4879 6966 4848 465.8103 *465.979* 465.979@2.6794653 1 1 1 1 1 1 1 1 1 1 1 1 11117 39143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.979 *465.9792* 465.9792@2.5816946 1 1 13830 1 1 1 163480 129228 1 1 1 1 14851 18025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.9792 *466.0132* 466.0132@0.82545716 5683 5551 1 1 1 1 5684 5721 1 1 1 1 3825 4124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4809 4068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3023 3330 1 1 1 1 1 1 1 1 1 1 1 1 5997 5481 1 1 1 1 4033 4292 1 1 466.0132 *466.115* C17 H28 Cl2 N6 O S2 1 1 25658 25550 4799 5945 38504 36941 1 1 7763 8830 20821 21801 11273 10871 16745 19636 16192 15882 8966 8070 1 1 10023 9674 7723 8490 7554 3280 1 1 9466 1 1 1 1 1 1 1 2067 1 1 1 1 1 5116 1 6297 5634 1 1 14895 14340 1 1 1 1 1 1 1 1 8801 1 2112 1813 13241 13484 1 1 11982 11447 2203 5047 14972 14807 1 1 1 1 1 1 1 8686 1 2254 12340 12311 8665 10381 466.115 *466.1246* 466.1246@1.1275567 1907 4811 1 1 1 1 1 1 8888 1 1 1 1 1 1 1 1 1 1 1 1 1 14188 15673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1246 *466.1313* 466.1313@0.9230416 4591 5016 1 1 1 1 1 1 5257 1 3512 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 3502 1 1 1 1 24499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11605 1 1 1 1 1 1 1 1 1 1 1 6317 1 1 1 1 1 1 1 1 4545 1 1 1 1 1 1 21387 1 1 5086 1 1 1 1 1 1 1 1 466.1313 *466.1654* 466.1654@1.1241872 1 1 1 1 1 1 4002 4273 1827 1 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1654 *466.1727* 466.1727@1.0906167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6399 5692 1 1 1 1 4014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1727 *466.1846* 466.1846@0.9908969 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9269 9396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22684 23792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1846 *466.1919* 466.1919@1.0755751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3864 6269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1919 *466.1939* 466.1939@1.0300303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1939 *466.2538* 466.2538@4.5594964 1 1 1 1 1 1 15117 14197 1 1 1 1 1 1 1 1 1 1 12569 12245 1 1 6213 5474 1 1 1 1 1 1 1 1 9912 9451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4515 1 1 1 1 11060 11513 1 1 1 1 6110 6396 1 1 1 1 1 3565 1 1 1 1 1 1 1 1 5360 5545 1 1 1 1 1 1 1 1 1 1 466.2538 *466.2542* 466.2542@4.3107333 1 1 1 1 1 1 21207 20753 1 1 1 1 1 1 1 1 1 1 7030 6882 1 1 4452 5045 1 1 1 1 2159 5162 1 1 17819 17823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13942 14412 1 1 1 1 8427 9299 8024 8336 1 1 1 1 1 1 1 1 1 1 1 1 10832 10722 1 1 1 1 1 1 1 1 1 1 466.2542 *466.2544* 466.2544@4.3741713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22178 22913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2544 *466.2801* 466.2801@1.1585666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2801 *466.2875* 466.2875@1.153375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10205 8091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 3403 1 1 1 1 1 1 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6266 7205 1 1 466.2875 *466.3054* 466.3054@1.1535317 1 1 5914 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 1 466.3054 *466.3083* PRISTIMEROL 4328 3704 8612 8265 5555 5653 6887 6198 6415 6902 5434 4942 9263 10106 6472 6591 8023 8129 10470 10442 7621 7795 12376 12769 9421 10323 9699 10123 10297 10602 6815 6461 7457 7167 1 1 13720 13567 9499 9669 11720 12008 6365 6592 7679 6728 8245 8225 10514 10467 9234 9457 10241 10319 6215 6087 7653 8063 25607 26738 7645 7202 1 1 6246 6158 8368 8494 6316 6150 5491 5520 4484 3890 6354 6327 11924 11672 9057 9826 10718 10846 8659 8279 10158 9593 13279 13580 3682 3888 466.3083 *466.3114* 466.3114@0.8641573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3114 *466.3196* 466.3196@1.1112767 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 1 466.3196 *466.3259* 466.3259@1.7260649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20817 13482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3259 *466.326* 466.326@1.9702888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12261 4903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.326 *466.3266* 466.3266@1.9132471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3266 *466.3277* 466.3277@1.1525351 3311 1 1 1 1 1 1 1 1 3305 1 1 1 1 1 4502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 1 3793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3562 1 1 1 1 1 1 1 1 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3277 *466.3315* 466.3315@1.1659057 1 1 1 1 1 1 1 1 4053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 1 1 1 1 2481 1 1 1 1 1 1 3105 1 1 1 1 3790 3222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3666 1 466.3315 *466.3467* 466.3467@1.1465709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4364 1 1 1 1 1 1 1 1 1 1 1 7051 1 1 1 1 1 1 1 1 1 1 5169 1 1 1 1 4013 1 1 1 1 1 1 5019 1 5078 1 1 11069 12507 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 6512 1 1 1 1 1 1 1 1 1 466.3467 *466.3558* 466.3558@1.1340317 1 1 1 1 5988 6865 1 1 1 1 1 10324 1 12722 1 1 1 1 16023 1 1 1 1 1 1 1 8882 1 1 12068 13073 1 1 1 1 1 1 1 1 1 1 11687 1 1 10565 1 1 1 1 10359 1 10831 1 7857 8491 17830 19424 9646 1 1 9281 1 1 1 1 1 1 1 9459 1 1 1 1 1 1 1 1 10435 1 7343 1 1 10595 1 8302 1 1 1 1 11100 466.3558 *466.3583* 466.3583@1.1059777 1 1 1 1 110659 1 23910 1 1 1 31847 1 1 1 1 1 1 1 1 1 25998 1 43187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15011 1 1 1 1 11746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30319 1 17629 1 15424 1 13374 12009 78868 1 1 11662 1 1 1 1 1 1 1 1 1 1 1 466.3583 *466.3632* C23 H51 Cl N4 O3 122069 123689 90474 89484 197097 277596 106286 127243 208687 214387 254968 274389 108738 104710 186939 187194 112057 111742 131214 149187 137754 157425 235839 262262 240722 244461 178844 179202 327130 336538 258558 1 362989 350235 80433 80990 184690 194801 241463 240771 286208 272853 120316 110466 249103 254093 161500 159889 233220 226366 9641 257516 231397 222730 200122 193071 294634 314083 180147 180769 246615 247591 145930 117863 287632 292838 334439 313055 268498 260823 128561 111850 145683 134632 127346 57583 263459 270940 195129 204126 157932 162607 233085 245302 214598 220317 162440 1 156752 149868 466.3632 *466.6318* 466.6318@1.0646102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.6318 *466.9825* 466.9825@2.564 1 1 1 1 1 1 1 16384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.9825 *467.0894* 467.0894@0.71747327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3201 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.0894 *467.2767* 467.2767@2.8318658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4754 7495 7083 1 1 1 1 1 1 1 1 1 1 1 7855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.2767 *467.2775* 467.2775@2.446935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.2775 *467.2784* C22 H38 Cl N7 O2 1 1 1 1 8554 8645 1 1 12619 12714 1 1 1 1 13657 16007 1 1 1 1 6625 10586 8406 13264 12452 8704 9937 7833 28884 29852 14763 16104 1 1 1 1 14143 3859 1 8074 1 1 1 1 12686 12310 1 1 8733 8012 10845 9205 6129 1 1 1 1 1 12708 13059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11375 9624 10496 7422 1 1 1 1 1 1 1 7405 1 1 1 1 467.2784 *467.3445* 467.3445@1.1530046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.3445 *467.3633* 467.3633@1.1189827 1 1 1 1 1 1 1 1 4483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 5874 1 1 4040 1 11386 1 1 6598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 3562 1 1 1 1 1 1 1 1 1 467.3633 *467.8096* 467.8096@5.5569468 2184 2075 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1822 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2050 1 1 1 1 1 1 1 2065 1 1 1 1781 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 467.8096 *467.9435* C14 H8 N6 O5 S4 1 2222 2562 1 2410 2482 2404 2754 1 2616 1 1 2480 1 2561 2458 2591 2442 3103 3234 2144 2437 1 1 2886 2816 2402 1 2241 2241 2422 2335 2558 2435 2523 2406 2699 2534 2630 2416 2525 2374 1 2282 2435 2351 2292 2176 2604 2536 2727 2675 2768 2922 2427 2198 2544 2339 2260 2411 1 1 1 2365 2623 2689 2658 2657 2562 3005 3330 3438 2544 1 1 2565 2368 2393 2480 2569 2645 2939 2431 2510 2657 2547 3145 2980 2280 2366 467.9435 *467.976* 467.976@2.6660664 1 1 1 1 1 1 24529 25174 1 1 1 1 14473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.976 *467.977* 467.977@2.5675075 1 1 1 1 1 1 31804 34687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.977 *468.012* 468.012@1.212263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13863 15078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18373 21133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6135 7007 468.012 *468.0931* 468.0931@0.873357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3392 1 1 1 1 1 1 1 1 1 1 1 1 4262 4460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.0931 *468.1105* 468.1105@1.1249654 3051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3868 1 1 1 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 3309 3584 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 2053 1 1 1 1 1 1 2435 1 1 1 1 1 1 1 1 1 1 468.1105 *468.1492* 468.1492@1.0185375 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 1 1 1 1 1 1 1 1 1 5057 6809 1 1 1 1 1 1 1 1 1 1 468.1492 *468.1617* 468.1617@1.1496475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.1617 *468.1954* 468.1954@1.1416354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.1954 *468.2002* 468.2002@0.98555124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25283 25694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43721 40341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.2002 *468.2018* 468.2018@1.0208231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21592 21884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4842 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7419 8430 1 1 1 1 1 1 62396 73168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6229 7330 1 1 468.2018 *468.2137* 468.2137@1.0073311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 3419 1 3161 1 1 1 1 1 1 1 1 1 1 1 1 3185 3488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.2137 *468.2256* 468.2256@1.0539472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3514 1 1 1 1 1 1 1 1 1 1 1 3189 1 2117 1 1 1 1 1 1 468.2256 *468.2674* 468.2674@1.9803343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.2674 *468.3069* 468.3069@1.1978251 3614 4001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4103 1 1 1 1 1 1 1 1 1 1 2599 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 1 1 1 1 23042 4838 3591 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3577 1 1 1 468.3069 *468.3153* 468.3153@1.1952769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2971 1 1 468.3153 *468.3239* 468.3239@1.1768823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3747 1 1 1 468.3239 *468.3422* 468.3422@1.1590034 1 1 1 1 1 1 1 1 1 4945 1 1 1 1 1 4584 1 1 2857 1 1 1 1 1 3789 1 3272 1 1 1 1 1 1 2744 1 1 1 1 1 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.3422 *468.3454* 468.3454@1.155369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.3454 *468.3565* 468.3565@1.1405087 1 1 1 1 1 1 1 1 1 1 10858 19917 1 1 1 1 1 1 1 1 1 1 1 5969 1 1 1 1 1 1 1 1 1 1 1 1 12035 1 1 1 1 1 1 1 8247 16100 1 1 1 1 1 1 1 1 1 7246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3372 1 4275 1 1 1 1 8094 1 1 6130 1 468.3565 *468.3692* 468.3692@1.1269134 1 1 13650 1 1 1 1 1 7495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5310 1 1 22896 1 18641 1 1 1 1 1 1 1 1 15050 1 6525 6888 1 1 1 1 1 1 9641 9833 10210 1 1 1 1 23879 23981 1 1 8482 1 1 16208 1 1 1 1 15702 11021 1 1 1 7674 1 1 1 1 1 5233 1 1 1 12691 1 1 1 1 1 1 468.3692 *468.3733* C29 H53 Cl O2 1 1 1 19495 1 15788 23244 36066 1 1 1 1 1 35802 20060 1 41664 58802 1 18443 1 14010 1 1 1 1 1 1 1 1 1 20936 1 78502 1 10056 1 266021 1 1 1 1 1 1 1 106234 22893 21212 1 1 1 1 1 1 15882 1 1 1 150179 27845 1 1 1 1 59643 43893 34062 29822 1 1 22763 18465 11183 1 14823 13315 24869 27152 1 1 1 1 1 1 14039 1 1 1 1 23859 468.3733 *468.3787* C32 H52 S 176682 174581 147848 113623 354752 370160 155314 138128 346343 352054 317199 314211 160365 127114 269291 277371 119143 100915 243955 223054 208020 188833 289002 312116 296152 300769 228040 226901 382901 401556 354853 299975 412973 326636 108876 102449 282821 1 321629 308780 387383 379776 159640 169005 302269 215144 195707 203456 414210 394227 393478 404912 244671 239656 257016 267839 386068 408678 136089 269062 385611 392611 139270 148742 284198 309130 329004 332874 378936 380113 152182 155484 196287 198479 182060 186228 314853 307895 267330 274242 255097 254848 381939 374911 248918 263972 253443 255642 266315 244730 468.3787 *468.9811* 468.9811@1.1183581 1 1 1 1 1 1 1 1 1 1 9473 6856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.9811 *469.1366* 469.1366@0.9277477 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4280 4635 1 1 1 1 1 1 1 1 469.1366 *469.1698* 469.1698@1.1302003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 1862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.1698 *469.3441* 469.3441@1.1353123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3441 *469.3508* 469.3508@1.13683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 1 1 1 1 1 2218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5095 2986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3508 *469.3668* 469.3668@1.1205008 1 1 1 3784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 1 1 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4616 1 1 1 1 1 1 1 1 2365 1 1 1 1 2731 1 1 1 1 1 1 1 1 1 3542 1 1 1 1 1 1 1 1 1 1 1 1 469.3668 *469.3772* 469.3772@1.1120981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3772 *469.9021* C9 H12 Cl2 N4 O6 S4 2029 1961 1742 1767 2199 1929 2102 2191 2155 2145 1974 2009 1983 2170 2407 2452 2313 2211 2946 2736 2256 2392 2242 2472 2708 3159 2069 2238 2145 2411 2243 2176 2218 2201 2305 2438 2422 1997 2432 2289 2431 2491 2003 2077 2671 2390 2328 2066 2364 2258 2291 2715 2801 2696 2365 2296 2381 2549 2626 2483 2286 2534 2534 2827 2769 2800 2837 2905 2355 2606 3702 3352 2443 2395 2570 2462 2590 2338 2559 2714 2627 2812 2642 2730 2678 2861 3008 2815 2504 2302 469.9021 *470.0846* 470.0846@3.6849542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8087 8594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.0846 *470.0854* 470.0854@2.1028788 4487 4366 1 1 1 1 1 1 1 1 3411 3653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5138 5187 470.0854 *470.0979* 470.0979@1.2045481 3013 3226 1 1 1 1 1 1 1 1 1965 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 2249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2847 2355 470.0979 *470.1047* 470.1047@0.91146356 1 1 1 1 1 1 5628 6559 1 1 1 1 1 1 1 1 1 1 1 1 5163 5323 3931 4476 1 1 1 1 1 4068 1 1 1 1 1 1 1 1 1 1 4293 4521 3529 3528 1 1 1 1 1 1 1 3831 1 1 1 1 1 1 1 1 1 1 11399 10400 4871 4952 1 1 1 1 4651 4242 1 1 1 1 1 3640 4339 4998 1 1 6418 5843 1 3477 1 1 1 1 470.1047 *470.1659* 7-Hydroxymethotrexate 1 5053 7849 8950 1 1 1 1 1 1 4309 3827 5526 4165 4661 3494 1 1 16187 17101 1 3537 9130 9046 1 4240 4988 5031 7579 6541 1 1 8692 8340 1 1 1 1 1 1 10686 11091 1 1 3605 1 1 1 5730 5690 1 1 4811 3487 1 4469 1 1 10480 8631 4753 5358 1 1 1 1 6410 1 6181 6320 1 4245 4609 4991 6989 5976 7730 1 5348 4880 6977 6604 9552 8917 1 1 5107 4637 6826 6869 470.1659 *470.1682* 470.1682@1.9725211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5444 5217 1 1 1 1 1 1 1 1 1 1 1 1 3069 4036 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 3066 1 5117 5264 1 1 1 1 1 3517 470.1682 *470.2108* 470.2108@1.071486 1 1 1 5434 1 1 6802 8324 1 1 1 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 2467 6802 7690 1 1 1 1 3659 4010 1 1 1 1 1 1 1796 1 3808 2945 1 6278 1 1 2512 1 4662 1 1 1 1 1 1 1 1 1 1 1 3122 1 7852 1 1 1 1 1 470.2108 *470.2169* 470.2169@1.0720699 1 1 1 1 2905 3482 1 1 1 1 2718 1 1 1 1 1 3753 127957 3489 1 17608 1 4594 1 4420 1 2588 3578 3402 1 1 1 1 1 1 1 2379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67335 64103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5358 3368 1 2684 1 1 1 2686 1 6546 12463 2572 1 1 470.2169 *470.217* 470.217@1.1062696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12694 1 1 470.217 *470.2287* 470.2287@0.9790969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5945 6735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7028 4322 1 1 11713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.2287 *470.2316* ANGOLENSIC ACID, METHYL ESTER 22068 22238 8814 8540 27658 27990 11623 10349 52661 51127 11605 12931 10206 11537 15934 15088 26392 27648 21404 22697 18023 19026 36695 36890 38056 42601 44959 49191 21859 21993 19943 21884 83060 79023 19728 20139 20971 23409 25306 25054 19989 19593 15341 15484 15641 16378 6572 4908 26934 20363 42970 34568 12207 12072 2941 5142 15725 17383 1 2716 23408 22764 2823 4271 15722 26873 51830 58036 18956 19171 25456 26056 34997 32830 35148 34447 56239 59348 21972 25615 18692 20125 15906 16599 37149 36536 8730 8805 41781 41078 470.2316 *470.2893* 470.2893@0.92593133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42124 43504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.2893 *470.3153* 470.3153@1.1904892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.3153 *470.3261* 470.3261@1.1549296 3642 1 1523 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 133082 1 1 1 6962 1 8016 2659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 2686 1 1 1 1 1 470.3261 *470.3366* C28 H51 Cl O S 1 4824 1 9252 3747 1 1 1 1 1 1 1 1 5129 8778 1 1 1 1952 1 7949 1 1 5229 7483 7735 5012 4715 1 1 1 1 11469 1 1 5343 1 1 5676 6735 1 2991 1 2357 2484 1 1 3914 1 3648 1 7130 1 4003 6781 1 1 1 1 6460 4593 4894 1 1 6571 1 6203 7548 1 1 4464 3372 1 1 2435 4646 1 1 4215 1 2525 3772 7470 3939 1 3773 1 1 1961 1979 470.3366 *470.3412* 470.3412@1.1326797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.3412 *470.3465* 470.3465@1.1259334 1 1 1 1 1 16316 4639 4849 7718 5219 8677 1 1 1 1 16662 1 27271 1 1 1 1 1 1 1 1 9777 4843 12762 15349 1 1 1 8451 1 1 1 17675 1 1 4146 2771 1 1 1 1 5683 1 5025 1 7626 1 1 1 1 4630 5770 11210 7701 1 1 1 9301 1 1 1 1 1 3949 3797 1 1 14635 21244 1 1 31579 36195 1 1 1 1 1 1 9768 1 2922 3878 1 1 470.3465 *470.3525* 470.3525@1.1056281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.3525 *470.3593* 470.3593@1.1652931 6523 5773 2967 3027 1 1 2552 2593 3810 3096 1 1 1 1 1 1 1 1 2352 24028 1 1 1 1 1 1 1 1 1 1 1 84600 1 1 1 1 1 1 1 1 1 1 1 1 13115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10769 26910 25098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4664 1 1 1 470.3593 *470.3659* 470.3659@1.127358 1 1 1 23592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14252 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.3659 *470.3682* 470.3682@1.1649699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3579 5205 16659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15069 15450 470.3682 *470.9352* 470.9352@1.1490412 1 1 1 1 1 1 10951 3130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.9352 *470.9862* 470.9862@1.2759222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5847 2652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.9862 *471.0278* 471.0278@0.8366418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23858 24599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130103 129561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.0278 *471.0379* 471.0379@0.8379736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11753 10778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.0379 *471.0671* 471.0671@0.79450107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.0671 *471.0744* C22 H21 N3 O3 S3 7309 7939 9555 9374 4146 4546 6343 4991 3522 4096 1 1 4275 3940 6142 5143 1 2430 1 1 4009 4225 1 1 9575 10536 8591 8545 13774 13791 1 1 7692 7614 14536 15501 11407 12356 9836 9854 10087 10445 15038 14679 11580 11398 8192 8317 9381 9415 5607 5444 14949 13717 1 1 10852 11553 1 1 15116 14794 1 1 1 1 2916 1 6739 7006 1 1 3726 3595 5938 5603 5786 5560 19842 20161 10713 11993 19327 19545 5905 1 2497 1882 11209 11173 471.0744 *471.0798* 471.0798@2.0962207 12259 12293 1 1 1 1 1 1 1 1 9506 9933 1 1 1 1 1 1 3457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6605 6957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14284 13950 471.0798 *471.0882* 471.0882@2.3761444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6193 8730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.0882 *471.0886* 471.0886@2.3240688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.0886 *471.22* 471.22@1.0602318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.22 *471.2329* 471.2329@0.99448615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.2329 *471.2568* 471.2568@0.71708703 6909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.2568 *471.2667* 471.2667@1.2004902 2740 1 1 1 1 1 1365 1 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1700 1 1 1 1 1 1310 2574 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 471.2667 *471.2852* 471.2852@1.1606202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.2852 *471.308* 471.308@1.1956487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.308 *471.3466* 471.3466@1.1212074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3000 1 1 1 3180 1 1 1 1 1 1 1 1 1 1 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.3466 *471.3521* 471.3521@1.1178955 1 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.3521 *471.3554* 471.3554@1.0810288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5985 5993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.3554 *472.0849* 472.0849@2.8505213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4658 3244 3196 1 2732 3442 1 1 1 1 6147 4392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 3260 1 1 1 1 1 1 1 1 3113 2737 1 1 1 1 3819 3245 1 1 472.0849 *472.0853* 472.0853@2.368629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21992 23647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.0853 *472.1294* 472.1294@0.9712847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 1 3990 1 1 1 1 1 1 6030 5157 4478 1 1 1 5669 6632 1 1 1 1 1 1 1 1 1 1 4039 3639 4197 4484 1 1 1 1 1 1 1 1 4259 4139 1 1 1 1 1 1 1 1 472.1294 *472.1355* 472.1355@0.96110916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5535 1 1 1 1 1 1 1 472.1355 *472.1359* 472.1359@0.95932704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 4211 1 1 6940 4405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8148 9496 1 1 1 6274 1 1 1 1 1 1 472.1359 *472.1569* 472.1569@2.8677666 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7611 6825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4188 1 1 1 1 1 2346 3318 1 1 1 1 1 1 472.1569 *472.2219* 472.2219@1.0604291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27454 27072 13656 1 1 1 1 1 1 8589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2219 *472.2276* 472.2276@1.0598308 1 1 12673 32108 39941 37693 16257 30036 1 1 25780 18984 28138 26913 16245 21026 1 1 1 21199 1 19300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14969 18093 1 1 1 19039 1 1 11632 21972 10205 1 1 1 9666 10612 12590 7937 19481 17336 1 1 1 1 1 1 16786 13008 1 1 1 1 1 1 1 1 1 1 1 1 29014 29635 1 1 1 1 472.2276 *472.238* 472.238@1.0529081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40656 1 1 1 1 1 1 1 472.238 *472.2388* 472.2388@1.0555754 1 1 15217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21003 19623 1 1 1 1 1 1 1 1 1 1 41153 40181 1 1 1 1 1 1 1 1 1 1 1 1 1 43774 1 1 1 2967 1 1 472.2388 *472.2455* 3,16-DIDEOXYMEXICANOLIDE-3alpha-DIOL 78620 76745 1 2192 1 1 37272 18383 152887 152923 1 1 1 1 1 1 51299 53517 5976 1 9467 9750 63726 65019 91390 100503 82661 78280 49790 1 56716 60590 179322 176222 25983 20676 33374 33483 92845 91664 45890 46366 41104 38889 16846 13889 1 1 1 1 93864 92992 23446 10905 1 1 1 1 21015 16363 13151 12657 8473 11059 118047 114437 221735 218589 1 1 15101 16258 59837 58456 87204 88632 88848 86955 143221 150683 45813 42803 1 1 48284 48942 39947 37379 49497 46252 472.2455 *472.2508* 472.2508@6.2361393 1 1 1 1 1 1 1 1 1 1 1 1 13290 13390 1 1 4407 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2508 *472.2559* 472.2559@1.0817082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3921 1 1 51860 1 1 1 21003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11196 8585 1 1 1 1 1 1 1 1 4003 4446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2559 *472.265* 472.265@4.510021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 5847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.265 *472.2692* 472.2692@1.1663976 4351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2692 *472.28* 472.28@1.1990662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.28 *472.2888* 472.2888@1.060715 1 6025 1 1 1 1 1 1 1 3238 1 1 1 1 16500 15401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12983 12242 1 1 1 8584 1 1 1 1 1 3449 1 1 4481 1 1 1 1 1 1 1 2435 1 1 1 1 1 22708 23031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 472.2888 *472.2997* 472.2997@1.1287887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2997 *472.3039* 472.3039@1.0052466 4888 7280 2488 1 1 1 6007 4884 4708 1 4583 4347 6393 7815 1 1 1 1 1 1 1 1 11704 10813 20317 16431 1 14154 40138 1 1 1 1 1 1 1 1 1 1 1 9151 1 1 1 1 1 1 1 1 1 17904 11676 1 1 10069 1 1 1 4459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3039 *472.3099* 472.3099@1.1072209 5714 1 1 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8039 8609 1 7435 1 1 1 1 6246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11827 1 1 1 1 1 1 1 1 9201 1 10594 8837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3099 *472.312* 472.312@1.1274668 3010 1 1 1 1 1 1 1 1 1 15986 15441 1 1 4072 1 1 1 1 1 1 1 1 1 1 1 5074 1 1 24145 1 1 1 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2873 1 1 1 6232 1 1 8058 1 1 1 1 1 472.312 *472.3257* 472.3257@1.1259148 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 6698 6160 1 1 1 1 1 1 1 1 1 1 22332 1 13713 17758 1 119319 1 1 1 1 1 1 1 1 1 1 1 4740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8296 1 1 1 1 1 1 4604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3257 *472.3393* 472.3393@1.1108767 1 1 4485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8011 1 1 19495 1 1 1 1 13560 1 1 1 1 1 1 5820 1 1 1 1 1 1 1 4466 1 1 1 1 1 1 1 1 1 1 1 1 10195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3393 *472.3455* C22 H40 N12 1 1 10111 10296 7639 1 17232 16994 66882 18278 14665 14477 13363 13697 10201 1 9267 1 22819 15956 1 1 17984 15542 16696 16624 1 1 14530 17516 1 1 1 45783 5680 16550 29699 1 28264 24778 1 20127 9492 9939 1 1 1 1 1 4435 20912 17184 1 20676 23289 8935 1 1 11600 1 3129 3088 1 1 1 1 21175 21280 1 1 20054 18357 17168 1 18395 19520 1 1 18673 18902 12978 11086 17395 17451 29057 8844 18642 17295 25055 43624 472.3455 *472.3495* 472.3495@1.0914593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3495 *472.3496* 472.3496@1.0634551 1 1 1 1 21970 20593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17400 13937 1 22423 1 1 1 1 1 1 10347 1 39736 1 1 1 1 1 1 1 1 1 1 1 21840 26855 82767 26906 19798 16704 1 1 19340 1 1 1 23289 1 1 1 19788 20268 1 12064 56207 55459 1 1 20596 19168 1 1 1 12342 1 1 24982 19600 1 1 1 1 1 1 1 25117 1 1 1 1 472.3496 *472.3578* 472.3578@1.0994315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3578 *472.926* 472.926@1.1392529 1 1 1 1 1 1 1 8186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1868 1 1 1886 1945 472.926 *472.933* 472.933@1.1376278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1854 1 1 1 1 1 472.933 *472.9855* 472.9855@1.1101358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3401 1 1 1 1 1 472.9855 *473.201* 473.201@3.7222042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7557 7409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.201 *473.2097* 473.2097@1.1931586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.2097 *473.2396* 473.2396@1.054801 1 1 1 1 1 1 1 1 1 1 1 6701 1 1 1 1 1 1 1 1 6415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 473.2396 *473.2421* 473.2421@1.0457456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.2421 *473.2532* 473.2532@1.0239115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.2532 *473.2975* 473.2975@0.9975164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.2975 *473.313* 473.313@1.1924912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.313 *473.3392* 473.3392@1.0834944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2555 1 1 1 1 1 1 1 1 1 1 1 1 473.3392 *473.3432* 473.3432@1.0821816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8325 8509 2294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.3432 *474.0786* 474.0786@2.066013 1 1 1 1 1 1 1 1 1 1 1 1 1 3076 4618 4308 2995 2850 1 1 1 1 1 1 3612 4202 1 1 3095 1 1 1 1 1 1 1 1 3249 1 1 3480 3727 1 1 1 1 1 1 3026 3135 1 1 3439 3205 1 2953 2764 1 1 1 1 1 3035 1 1 1 1 1 1 3104 1 1 1 1 3190 3015 1 1 1 1 1 1 1 1 1 1 3012 3045 1 1 474.0786 *474.102* 474.102@2.7795944 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 3506 1 1 2163 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1 1 3143 4056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 1897 1 1 9390 9412 2953 1 1 1 474.102 *474.1037* 474.1037@2.66116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5834 1 1 8820 8835 1 1 1 1 1 1 4952 7919 6978 6216 1 1 3584 3233 1 1 1 1 474.1037 *474.1286* 474.1286@0.97831506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.1286 *474.1499* 474.1499@3.395212 1 1 1 1 1 1 38877 38210 1 1 1 1 15509 14550 1 1 1 1 6083 12014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12323 3023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 14211 1 1 1 1 1 1 1 1 1 1 1 1 17847 12443 1 1 12063 4645 474.1499 *474.1501* 474.1501@3.4682229 1 1 1 1 1 1 1 1 1 1 1 1 1 4897 1 1 1 1 3195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6445 1 1 1 1 474.1501 *474.1715* 474.1715@1.2132655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 474.1715 *474.1861* 474.1861@1.182682 1 1 3054 3203 4631 4649 1 1 3677 3520 1 1 1 1 8306 3080 3338 1 2932 2811 3124 3399 2581 1 1 1 6992 1 1 1 4946 5182 1 1 1558 2212 2762 2507 3737 3525 2945 2610 4112 3689 3541 1 2204 2340 1 1 1 1 3124 3032 2675 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4176 1 1 1 1 1 1 2490 1 1 1 1 1 1 474.1861 *474.1926* 474.1926@1.1864381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2942 1 1 1 1 1 1 4239 4029 1 3854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.1926 *474.2009* 474.2009@2.8428712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10809 11254 1 1 1 1 1 1 1 1 474.2009 *474.2024* 474.2024@2.7392378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9376 8606 1 1 1 1 1 1 1 1 474.2024 *474.2393* 474.2393@1.0719868 1 1 10758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.2393 *474.2478* 474.2478@1.0337205 1 1 1 13529 1 1 1 1 1 1 1 1 1 8065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 474.2478 *474.2698* 474.2698@1.118 1 1 1 1 1 1 1 2603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.2698 *474.2767* 474.2767@1.1167496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.2767 *474.2807* 474.2807@4.4610558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14753 14555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.2807 *474.2877* C23 H46 N4 S3 52953 43681 1 24761 39232 48656 74900 71480 38069 36356 72016 72243 35311 36492 54558 49151 47879 48189 78602 79340 99858 100366 1 67177 78876 75651 73044 74559 150828 150977 48940 51430 50268 44210 104514 101648 65096 64334 52353 40896 35807 43422 65881 1 51309 52417 49081 52509 35614 34009 70627 56439 44284 42221 60212 1 55271 57084 74782 78442 43262 44095 40254 40182 1 21350 63480 67490 57157 58748 50253 52100 55730 51557 37888 36663 93395 90439 64531 64266 97956 98089 69126 74966 98560 93388 203573 204517 92052 92522 474.2877 *474.2917* 474.2917@1.1202726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 1 1 1 1 1 1 1 1 1 474.2917 *474.2976* 474.2976@1.1301186 1 1 1 1 1 1 1 1 3302 3459 1 1 1 1 1 1 2702 1 1 1 1 1 1 1 1 1 4481 1688 1 1 1 1 3720 2792 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 3562 1 1 1 1 3793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.2976 *474.3055* 474.3055@1.1310104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3055 *474.3148* 474.3148@1.0425974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3459 1 1 6058 1 1 1 1 1 1 1 1 1 1 7137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3148 *474.3197* 474.3197@1.1522529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2928 1 1 1 2274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6171 6562 1 1 1 1 1 1 1 1 1 3923 1 1 1 1 1 1 1 1 1 1 3278 1 474.3197 *474.3232* 474.3232@1.0952417 1 1 1 1 1 3043 1 1 1 1 1 6399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11354 1 1 1 1 1 1 1 1 1 1 1 12186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3232 *474.3323* 474.3323@1.1514981 1 8460 1 1 4822 4986 1 1 1 1 12335 12094 1 1 1 13031 1 1 1 3422 1 1 5845 6291 1 1 1 1 1 1 161455 164915 10883 1 1 1 1 1 1 1 14970 1 1 1 1 1 1 1 1 1 1 1 1 1 3014 2628 1 1 1 1 1 1 3849 3758 1 1 6207 1 1 1 1 1 1 5603 9694 1 1 1 1 1 1 1 1 1 5102 4875 1 1 1 1 474.3323 *474.3534* 474.3534@2.0861988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53599 54095 1 1 1 1 1 1 1 1 1 10040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6233 4144 1 1 1 1 1 1 1 1 44039 33114 1 1 1 1 474.3534 *474.3536* 474.3536@2.3859286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10355 1 1 1 1 1 474.3536 *474.359* C26 H51 Cl N2 O3 66854 62590 22978 23532 78264 1 37695 29328 1 47190 56309 60852 28320 28869 39967 29836 26405 24880 22559 28239 35432 1 54328 56036 49365 43859 78337 83494 30402 35882 48498 50456 39441 1 10198 1 115173 111173 79817 79326 79140 48910 24181 24489 60521 61698 1 74699 38731 35341 86405 84008 50003 44500 37126 30250 51488 53920 64023 63973 53987 53160 32601 30139 128253 129354 48994 45508 46891 52644 45190 46513 34191 28325 30203 41069 69441 74859 51542 54444 25936 29536 55083 1 79072 78964 33039 35163 11206 1 474.359 *474.9204* 474.9204@1.1374164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1591 1543 1 1 1 1335 1 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 1 1 3223 1670 1 1 1 1 1 1 1 1 1 1553 1 1 1 1 2343 3522 2033 1873 1765 2305 1 3816 3811 2328 5798 6088 1 1 4731 4911 474.9204 *474.9295* 474.9295@1.1353506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 1 1 1 1 1 1 1 474.9295 *475.075* C17 H30 Cl N O4 S4 16432 15891 14648 14709 16063 15190 9480 9646 20168 19781 13348 13750 22099 22468 34174 33722 19447 20263 15995 17263 17668 17087 18248 17889 29341 28937 16537 15798 21200 20059 16751 16505 2783 2922 1 1 22952 23651 17457 17472 26416 28033 4696 4711 9915 10037 18359 18119 22379 22681 17773 17679 24189 24502 19718 20002 18227 19058 17599 16648 19261 18807 19116 19629 9663 10139 13306 12561 21331 21702 15297 15660 5475 5593 20495 20920 18719 19171 12985 12569 18460 18418 10266 9811 11172 10367 20597 20034 8997 9705 475.075 *475.1644* 475.1644@1.9699804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4199 3125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.1644 *475.324* 475.324@1.0811816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.324 *475.3315* 475.3315@1.0795895 1 1 1 1 1 1 1 1 1 1337 1945 1 1 1 2420 1 1 1 1 1 1 3212 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3315 *475.3438* 475.3438@1.0643378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3438 *475.3635* 475.3635@1.0558969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11777 1 3310 1 1 1 1 1 1 1 1 1 1 17408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3635 *476.0378* C24 H12 O11 1 1474 1943 2006 1 1 1 1 1 1716 1756 1 1 1 2041 1886 1 1 2133 2420 1700 1 1961 1789 1773 1790 1652 1737 1321 1524 1479 1 1 1 1 1 1 1 1 1 1534 1699 1740 1846 1 1 1609 1 1991 2187 1615 1700 1831 1633 1684 2052 1 1834 1815 1949 2188 1976 1 1 1 1 1701 1618 1730 1829 3056 2648 1 1 1 1362 1922 2276 1705 1809 2110 2157 2245 2439 2056 2061 1 1458 2042 1682 476.0378 *476.0719* C32 H13 Cl N2 O 61234 60081 56576 55636 57286 58078 37293 36361 75072 72610 51003 52443 83229 82392 125183 125580 73854 75960 63399 64200 67602 64209 68343 67199 111399 111696 62277 61236 80546 78412 60549 62074 9819 10144 1 4771 87118 87181 68436 69223 99398 104156 17503 17164 37042 36306 68131 67474 82537 86142 69521 66484 90220 91813 76008 75995 71976 71033 63822 61540 70874 74574 74213 72237 36364 37232 50526 47450 79469 79443 59338 61084 20413 20312 79531 78763 72067 70790 50174 50069 69514 69243 37688 35828 41643 39625 79398 77716 34079 33263 476.0719 *476.1516* 476.1516@0.8058247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.1516 *476.1834* 476.1834@1.113997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 4179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.1834 *476.2008* 2-Methoxyestrone 3-glucuronide 14566 13912 25206 25084 5033 5059 39008 38583 24466 26215 16988 16710 14454 15598 6440 5824 18163 18921 5192 5394 4616 1 37035 36101 5175 4762 1 4540 1 2670 5942 6250 4385 4007 1 1 7195 8085 3402 3543 4537 4559 3442 4004 1 1 1 1 3568 3265 4202 3832 5914 5670 3673 3742 1 1 1 1 4672 5065 7736 7449 1 1 3589 3579 1 2294 3947 4934 1 1 1 1 1 2499 6448 5686 3852 3253 4787 4617 1 3258 7468 6167 1 1 HMDB04482 C11132 476.2008 *476.2011* 476.2011@1.2033083 1 1 7243 7194 1 1 1 1 7107 7915 1 1 5087 5272 1 1 5386 5729 4420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2853 2992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2011 *476.2114* 476.2114@1.1334186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5979 1 1 1 1 2385 1758 1 1 3391 1 1 1 1 1 1 1 1 1 1 1 1 4025 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2114 *476.2372* 476.2372@1.0583264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2372 *476.2461* 476.2461@1.0516683 1 1 9761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8397 1 8203 1 1 1 1 1 1 1 7330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2461 *476.2529* 476.2529@0.99433166 1 1 1 1 1 3480 1 12618 1 1 1 1 11294 1 1 1 1 1 1 1 1 1 4605 7467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 4455 1 1 1 11601 1 1 1 3272 6592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2529 *476.272* 476.272@1.6316348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8532 9259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10859 12114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.272 *476.2721* 476.2721@1.7959003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2721 *476.2969* 476.2969@4.377222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2969 *476.3134* 476.3134@1.142669 1 1 1 1 12392 1 1 8829 1 1 1 1 1 10792 1 1 1 1 1 1 1 1 18713 1 11127 14147 1 1 19577 19881 1 1 1 21491 1 9484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16288 1 1 1 1 1 1 1 1 1 26574 24296 20830 22085 1 11888 1 1 12799 1 11093 1 1 17617 1 1 1 1 1 15972 1 1 1 1 1 1 476.3134 *476.318* 476.318@1.1423736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.318 *476.3324* 476.3324@3.9532266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6944 7174 1 1 1 1 1 1 27045 26905 1 1 1 1 1 1 1 1 1 1 32007 34183 1 1 1 1 1 1 1 1 1 1 1 1 6398 6720 1 1 1 1 7253 7475 1 1 1 1 58532 59525 1 1 1 1 1 1 1 1 8112 7730 1 1 1 1 1 1 1 1 476.3324 *476.3381* 476.3381@1.1035148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4037 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 1 3141 41254 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.3381 *476.3437* 476.3437@1.103295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13119 476.3437 *476.3657* 476.3657@1.0497684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48890 25153 1 1 1 1 1 1 1 1 476.3657 *476.3745* 476.3745@1.0481181 1 1 1 1 1 1 1 1 1 1 36338 61003 1 1 28784 1 1 1 40656 28030 1 1 57285 50406 31698 49486 1 1 38012 64761 1 1 1 1 18994 26065 1 1 1 1 1 46353 1 1 83862 1 1 1 35389 1 1 1 1 1 53007 1 64910 65650 1 1 39675 39500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38921 1 1 1 1 1 35160 1 476.3745 *476.379* C28 H57 Cl O S 1 1 34897 20860 76098 74784 36569 35102 36432 54182 1 1 35500 34912 1 51832 20490 20880 1 1 38212 38333 1 1 1 1 1 1 1 1 77161 78089 69964 50994 1 1 78877 79915 63203 63689 1 1 34392 38160 1 76003 47326 81911 1 34922 101589 97710 48436 47911 1 47277 1 1 36431 63476 1 1 27868 27715 64665 66333 52818 51065 64535 67599 29424 32164 38041 37611 37866 37485 70480 57876 55876 51276 1 1 1 43969 43553 42072 89290 84661 1 1 476.379 *477.185* 477.185@2.0332456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6334 1 12586 1 1 2027 2184 1 1 1 1 1 1 477.185 *477.1859* C33 H23 N3 O 11660 12368 13857 11746 2562 9052 1 1 8263 7619 16916 12183 9572 7838 5464 8490 5896 6446 12621 11295 6499 9683 17221 18552 4974 4995 9703 13856 15059 15177 8259 1 19287 11220 1 1 9276 7158 6350 4895 7469 7937 8479 8542 13084 14378 2530 2972 10629 11825 1 8256 6433 9520 7043 7632 10314 7470 15041 14823 7315 8447 7607 8198 8918 10484 9854 9872 7895 10011 15989 16212 9513 8982 11030 11890 11040 5263 15089 4416 16571 18695 13986 12772 8821 1 8090 6525 13060 8830 477.1859 *477.2466* 477.2466@1.0463227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.2466 *477.2589* 477.2589@1.0443865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2092 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.2589 *477.2721* 477.2721@1.0392534 6188 7676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 477.2721 *477.2824* 477.2824@5.3195887 1 1 1 1 1 1 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 3784 3476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.2824 *477.2832* Arg Phe Arg 9896 10148 9827 10246 8959 9212 29172 29418 12047 12397 12516 12910 12965 12491 19528 18853 20987 21345 11256 11558 12993 10583 12833 13181 11158 10686 14385 10378 9440 9350 22337 22778 23036 22324 6508 6052 13235 12855 9134 9410 36234 38061 5966 5716 7095 6984 12301 13084 19802 19499 13778 13366 13176 14080 12208 12741 22084 22861 14242 13548 26431 25591 10539 10607 6545 6133 13077 12968 15235 13981 10877 10393 9720 9362 15795 15194 10602 10066 12197 12665 11077 10900 9490 9659 16770 16254 17507 16595 11898 11975 477.2832 *477.3252* 477.3252@1.0854263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.3252 *477.3831* 477.3831@1.0543333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5467 477.3831 *478.0333* 478.0333@0.8249513 2915 2690 1 1 1 1 16457 17049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4975 5132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12546 12858 1 1 478.0333 *478.0664* 478.0664@2.720567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9877 11102 1 1 1 1 478.0664 *478.1086* 478.1086@3.9177632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6863 11562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1086 *478.142* 478.142@5.6558824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3420 13224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.142 *478.1428* 478.1428@4.287154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145917 102886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1428 *478.1429* 478.1429@4.3262563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1429 *478.1435* 478.1435@5.695587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1435 *478.1659* 478.1659@0.87103117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 1 1 5336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5726 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1659 *478.2596* 478.2596@1.0450625 1 1 1 1 1 1 16430 1 1261 1 178370 178408 1 4414 1 139281 1 1 1 130986 1 1 1 1 175877 1 1 1 1 1 1 1 1 5319 80222 82544 1 1 2060 1528 1 1 1 1550 1 1 1 1 1 1 1 1 1 11092 1 1 1 1 1 2719 1 1 121531 1 3698 1 1 2647 1 1 5388 1 1 1 1 1 1 1 2800 1 108658 1 1 5586 1956 1 1 1 1 1 478.2596 *478.2669* 478.2669@1.0379332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131401 1 1 1 1 1 1 1 4279 2793 1 1 1 1 1 1 1 1 2660 1 1 1 1 3441 1 1 1 1 1 1 1 1 3430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4507 1 1 1 1 1 1 1 1 478.2669 *478.2727* 478.2727@1.0372992 6263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.2727 *478.2906* 478.2906@2.8248148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5712 8124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.2906 *478.2912* 478.2912@2.7316785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10287 9610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.2912 *478.305* 478.305@7.7416353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4370 4642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.305 *478.3211* 478.3211@1.19944 1 6641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.3211 *478.3278* 478.3278@1.131794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 1 1 1 478.3278 *478.3308* C21 H47 Cl N8 S 7686 109316 8449 8100 6771 6058 6600 7143 10450 10614 8512 8138 6491 6710 10694 12111 8001 8978 12030 12552 12018 9809 9143 9432 8535 12195 11282 8363 17001 12386 10847 13372 13147 9696 3314 4852 10611 9153 9904 13276 12781 9387 7452 10538 11959 11211 7092 10367 11849 7780 12329 15054 5577 8957 7479 7067 10497 9153 10610 9878 8302 10470 6135 6173 42846 348180 9109 8837 6532 10826 7145 8049 8488 8122 6421 7845 7957 8357 8822 11832 1 16025 8335 7635 13264 14175 14259 2367 6834 8460 478.3308 *478.3334* 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 89348 1 1 1 1 21337 1 1 1 1 1 1 1 1 1 1 98862 96723 42827 50119 1 1 1 1 199321 68850 18820 154895 213353 108823 1 1 1 334954 1 5465 65328 65844 1 1 75012 233348 29916 69985 1 1 1 47251 193377 166846 1 1 128500 126806 1 1 1 1 1 55084 187375 71683 1 1 1 1 265972 108994 1 1 50666 41212 57938 1 13566 1 20503 139719 145127 16936 15442 1 87582 64185 1 1 1 13189 44097 1 478.3334 *478.3432* (5E,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5E,10Z)-19-fluoro-1alpha-hydroxycholecalciferol 1 1 8059 33837 21214 1 76381 92143 1 68761 258539 192669 79066 37812 21727 151506 1 1 1 1 1 1 165427 168261 1 1 1 1 1 1 159164 81279 1 1 9006 1 1 1 20806 64861 1 1 1 1 70258 221097 13524 1 1 1 83571 74686 1 1 67336 18471 27157 29316 29999 1 1 1 46039 12416 1 1 1 1 25095 208425 1 1 1 1 1 16777 1 1 1 1 1 1 1 1 171638 187240 75409 97400 1 1 478.3432 *478.3558* 478.3558@1.1091045 1 1 1 1 1 1 1 1 152483 1 1 1 1 1 1 1 1 1 1 1 22118 36775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.3558 *478.3836* 478.3836@1.0449063 1 1 1 1 1 1 1 1 1 1 25056 1 1 1 1 1 1 1 1 1 1 1 1 1 19589 1 1 1 16284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13165 1 1 1 1 1 1 1 11117 478.3836 *478.3949* 478.3949@1.0445803 1 1 1 13301 1 1 27568 24069 27602 1 1 1 1 1 28453 1 10400 10615 1 17675 21056 23835 1 1 1 1 1 1 1 1 1 1 1 1 10674 1 1 1 1 1 1 1 1 1 1 1 31967 1 1 1 1 1 1 1 1 1 1 1 19787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19950 20920 1 1 1 1 478.3949 *478.7546* 478.7546@1.2053447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3944 3911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.7546 *478.8323* 478.8323@1.0944791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13298 12785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.8323 *479.1262* 479.1262@0.7722058 1 3298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 3876 1 1 1 1 5563 4999 1 1 1 1 1 1 1 1 3849 3541 1 1 1 1 1 1 5763 5710 1 1 1 1 1 1 1 1 1 1 4244 3345 1 1 1 1 2987 2943 1 1 1 1 1 1 1 1 8384 8307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5503 5707 1 1 1 1 479.1262 *479.1605* 479.1605@0.80982816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7967 8457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.1605 *479.2014* 479.2014@2.3256884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4321 1 1 1 479.2014 *479.23* 479.23@1.9691975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5764 4359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.23 *479.2987* C20 H42 Cl N7 O4 4077 4200 4379 6065 4725 4436 10573 11008 6620 6097 4262 4127 3407 3807 9345 9011 5472 5425 6457 6288 1 1 4264 4334 5448 5114 1 4617 3488 3676 9394 9107 6612 6913 1 2723 6345 5288 4468 4010 9786 9435 3111 3073 1 2385 6945 5835 6483 6778 6497 6470 5021 4144 4027 3880 10158 9921 4468 4619 15027 15200 3351 3537 5381 5087 6527 6881 7565 7575 5743 5763 4139 5314 4046 3836 6244 6588 5709 4258 4141 5268 3583 2696 5588 5530 6515 6467 4137 4471 479.2987 *479.3386* 479.3386@1.0982989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 479.3386 *479.3865* 479.3865@1.0455902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3914 1 1 1827 1 5970 1 1 1 1 1 1 1 1 1 4505 5385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3865 *479.3999* 479.3999@1.0453558 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3999 *480.0482* 480.0482@0.94624823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 1 1 480.0482 *480.0571* 480.0571@1.2040517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4282 4151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1986 480.0571 *480.0854* 480.0854@0.7716847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5432 5131 1 1 480.0854 *480.1352* 480.1352@3.6212378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6268 6722 1 1 1 1 480.1352 *480.1665* 480.1665@1.0393007 1957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.1665 *480.1794* 480.1794@0.8898137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5998 1 1 1 1 1 1 1 1 1 20298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3238 7758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6781 1 7264 9457 1 1 1 1 480.1794 *480.2695* 480.2695@3.3037639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43140 43449 1 1 1 1 1 1 1 1 1 1 1 1 38604 38744 63823 64755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7356 6470 32460 32833 1 1 1 1 1 1 1 1 1 1 8747 7718 1 1 39766 36781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2695 *480.2882* (6S)-1alpha,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduct / (6S)-1alpha,25-dihydroxycholecalcife 1 1 14333 14287 8764 8430 5589 4924 14835 14300 19572 16964 9352 9196 5509 1 1 1 14484 15613 16440 17051 15378 18552 1 1 12787 12054 12137 12697 10620 11051 7464 8032 5515 6074 13035 13292 15288 14891 15164 14787 1 1 8776 9010 8867 9170 1 1 12390 14123 6109 6154 13739 12839 12299 12187 4787 4819 8284 7270 8752 7622 6654 7379 14644 9355 8291 2030 10898 14024 5849 5705 10447 10696 3553 12078 10548 13310 9834 7216 12336 11594 5876 4943 9805 8146 11031 11033 480.2882 *480.2886* 480.2886@0.866099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2502 1 6601 3345 1 1 1 1 1 8377 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2886 *480.3292* 480.3292@1.1807103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.3292 *480.3414* 480.3414@1.152073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4913 1 1 1 1 1 1 1 3985 1 1 1 1 9290 1 1 7350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3223 1 480.3414 *480.3435* 3alpha,7alpha,12alpha,24-tetrahydroxy-24-methyl-5beta-cholestan-26-oic acid 1 1 23988 1 54839 19414 1 1 1 1 1 27625 1 1 21255 1 1 1 10027 1 29111 25949 38798 1 1 1 24749 1 1 1 1 1 45424 1 19946 14175 1 8582 33638 1 21443 1 1 1 23914 4553 35971 1 1 22696 1 1 22590 23474 7748 47481 28464 55798 32307 15590 23854 1 1 19826 117126 1 22117 35384 42347 1 11084 11192 1 1 27707 31085 1 1 1 39559 119636 30163 8684 32905 1 1 1 1 1 30681 480.3435 *480.3512* 480.3512@1.075021 10005 1 1 1 1 48532 1 1 1 1 1 1 1 1 14503 1 1 1 1 1 12822 1 1 1 1 20545 13702 1 1 1 1 1 564010 1 1 10729 1 1 209180 17437 1 1 8990 1 1 1 1 1 1 1 17483 21653 1 1 1 1 1 23420 1 1 1 1 1 8987 1 1 1 1 16397 1 1 1 1 1 15245 10851 1 1 1 13550 1 16066 1 1 1 1 1 1 12982 17612 480.3512 *480.3785* 480.3785@1.0405157 1 1 1 1 1 1 1 1 1 12789 1 1 1 1 1 1 7385 7845 3167 1 1 1 1 1 1 1 1 1 14399 1 27625 1 1 1 1 1 1 1 1 1 9557 8114 1 1 1 1 1 1 8584 1 1 1 1 1 1 8531 34878 41518 6694 1 5584 3542 2394 1 1 2912 9783 11087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6459 1 1 1 1 5014 1 480.3785 *480.3817* 480.3817@1.037768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6466 1 1 1 1 1 1 1 25196 1 22862 1 1 1 1 1 6469 1 1 1 1 1 1 1 1 1 6917 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 3906 3656 1 12659 1 5797 1 3920 6264 1 1 1 1 1 1 1 480.3817 *480.3886* 480.3886@1.0372126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.3886 *480.7517* 480.7517@1.2043418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20712 22367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.7517 *480.8291* 480.8291@1.1000812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4502 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.8291 *481.0597* 481.0597@0.79671705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5089 4169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.0597 *481.1532* 481.1532@1.1798041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4515 4348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.1532 *481.1827* 481.1827@1.1201255 1 1 1598 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.1827 *481.2564* 481.2564@2.7872005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.2564 *481.2587* 481.2587@2.6700501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4143 8739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.2587 *481.2873* 481.2873@1.2043585 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.2873 *481.3141* C25 H43 N3 O6 7784 8513 7463 7695 7879 7776 8806 9081 8843 8963 7635 7398 8715 8310 10649 10606 5501 5680 15344 15444 10180 11177 10494 10480 8551 8188 10635 10148 12982 13041 11084 11304 11076 11033 5651 5820 8864 9604 12169 12656 11966 11902 10162 9803 8640 8789 10608 10589 9314 9018 11723 11752 5882 6172 8692 8734 11890 11702 15536 16489 7105 6990 4091 3791 9373 9847 8462 7801 10864 10550 9951 9607 7740 7465 5428 5430 7484 7587 10703 11533 10385 10240 8290 8599 14686 14716 19184 19505 6990 6698 481.3141 *481.3142* 481.3142@5.3789067 1 1 1 1 1 1 3187 2977 1 1 1 1 1 1 1 2425 1 1 3780 3803 1 1 1 1698 2120 2276 1 1 1 1 3453 3628 1 1 1 1 1 1 1 2743 2449 2532 1 1 1 1 1 1 2734 2359 2274 2356 1 1 1 1 1 1 2632 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 4329 4327 1 1 481.3142 *481.3514* 481.3514@1.1091914 1 1 1 1 1 1 1 1 1 8594 1 1 1 3068 11570 1 1 1 1 4241 1 3072 1 1 1 1 12766 1 1 1 1 1 1 1 1 1 4160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8036 1 1 12657 1 5751 1 1 1 1 1 1 1 1 1 1 1579 481.3514 *481.3553* 481.3553@1.0735023 1 1 1 1 1 1 1 1 4266 1 1 5446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5787 1 1 1 1 1 1 1 1 1 1 4372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.3553 *481.3792* 481.3792@1.0449891 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4393 1 1 6348 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3833 1 1 1 481.3792 *481.383* 481.383@1.0389743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.383 *481.3874* 481.3874@1.0396849 1 1 1 1 2233 2340 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 1 1 1 1 1 1 1 481.3874 *482.1611* 482.1611@2.025012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1611 *482.1647* 482.1647@0.93225175 1 1 1 1 1 1 3337 1 1 1 1 1 1 1 1 1 1 1 1 1 4530 4386 1 2862 1 1 1 4717 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4827 4521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3051 2834 1 1 1 1 1 1 482.1647 *482.1699* 482.1699@1.1214603 1 1 1 1 1 1 2425 4785 1 1 1 1 1 1 1 1 22317 22543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13028 12913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8798 8904 1 1 1 1 1 1 1 1 1 1 11510 11086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1699 *482.1842* 482.1842@1.067155 7691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6192 6936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1842 *482.1948* 482.1948@1.0154145 1 11645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 3784 5871 4693 1 1 1 1 1 1 3826 5188 1 1 7805 5393 1 1 1 1 1 1 1 1 8699 7526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1948 *482.1989* 482.1989@0.7993194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6429 7261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1989 *482.2145* 482.2145@4.3046455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5834 7145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.2145 *482.2493* 482.2493@4.8415585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3745 3991 1 1 1 1 1 1 1 1 1 1 482.2493 *482.2809* 482.2809@1.206247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.2809 *482.2849* 482.2849@3.5176156 1 1 1 1 1 11979 1 1 1 1 1 1 4445 1 1 1 1 1 1 1 1 1 4740 1 1 10335 4939 3885 7654 8430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4926 6660 1 1 1 1 1 1 7544 1 1 1 1 1 1 1 4355 5271 1 1 1 1 1 1 1 1 9188 1 1 1 1 1 1 1 1 1 1 1 1 1 482.2849 *482.2857* VD 2656 8739 9070 1 1 22533 7929 1 1 1 1 1 1 7988 11863 1 1 1 1 1 1 1 1 10276 14988 21424 10661 9259 8490 11076 10694 1 1 1 1 1 1 1 1 1 1 7341 1 1 1 1 1 1 1 1 1 11306 6260 1 1 1 1 7662 7246 3776 9399 30086 23138 9628 9124 259431 257926 9038 6009 1 1 156567 150358 1 1 1 1 10728 19716 1 1 20717 21803 9290 9452 9254 9346 1 1 1 1 482.2857 *482.3387* 482.3387@1.1998423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3387 *482.3507* 482.3507@1.1882303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2892 1 1 1 1 1 482.3507 *482.3559* 482.3559@1.1449195 1 2339 1 1 1 1 15722 1 1 83872 6165 9456 1 1 1 1 1 1 1 1 10160 1 1 1 4867 1 1 1 19843 1 11408 8838 13312 1 27109 21596 1 99644 1 1 98296 1 1 1 1 2747 30169 1 1 1 1 11655 1 1 1 81215 3805 5322 1 1 1 1 1 10150 25103 1 1 1 1 1 1 48317 1 1 2966 1 1 1 1 8708 1 1 1 1 19588 1 7989 1 7249 65290 482.3559 *482.3584* C24 H46 N6 O4 1 1 54436 39632 122850 126238 1 1 1 16832 1 1 1 53047 85664 1 1 1 81718 83428 61845 72119 1 1 1 110608 84617 1 1 165965 1 100131 1 14745 9200 6950 104461 1 1 115946 37045 1 47662 1 123949 1 28863 55947 1 1 128827 118807 1 1 103504 23896 53850 154172 99292 100043 1 143906 60476 49619 165284 1 1 189918 121689 1 66218 17526 69642 71014 71079 75109 104671 1 1 78202 1 80237 142146 146076 1 1 1 1 73445 16896 482.3584 *482.3586* 482.3586@1.1143128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3586 *482.3815* 482.3815@1.0204377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3815 *482.3896* 482.3896@1.0397041 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2152 1 1 1 1 1 1 3027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3896 *482.3947* 482.3947@1.0350432 1 1 1 1 1 3016 1 1 4491 1 1 1723 1 1 1 2843 1 1455 1 1 1 1 1 1 1 1 1 1 1 7870 1 3557 8521 7844 1 1 1 1 1 1 1 1 1 1 3159 4449 1 1 1 1665 1 4868 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 5551 1 1 1 1 1 1 2912 3751 3957 1 1 1 1 1 1 2605 6485 1 1 1 482.3947 *482.3987* 482.3987@1.0328947 1 1 1 1 3108 1 1 1 1 3133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6861 1 1 1 1 1 1 1 3824 2906 3560 2262 1 1 1 1 1 1 1 1 1 1 6218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5748 1 1 1 1 1 2451 1 1 1 1 3006 1991 1 1 1 1780 1 1 5908 1 1 482.3987 *482.4162* 482.4162@1.0287321 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.4162 *482.8244* 482.8244@1.0964253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.8244 *482.9987* 482.9987@1.112064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12466 2323 9551 9542 11936 1 1 1 1 1 1 1 1 9312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4771 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.9987 *483.0007* 483.0007@1.111762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.0007 *483.0731* 483.0731@3.4147391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68437 67358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.0731 *483.1723* 483.1723@1.1041014 1 1 1 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 5589 1 1 483.1723 *483.1812* 483.1812@1.1200216 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.1812 *483.2743* 483.2743@2.798221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5685 8070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.2743 *483.2895* 483.2895@3.5037034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.2895 *483.2906* 483.2906@1.2084309 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.2906 *483.2983* 483.2983@1.2032253 1 1497 1 1 1 1 1 1 1855 2726 1 1 1 1 1 1 2108 1875 3542 1878 1 1 1 1 1 1 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.2983 *483.3106* 483.3106@1.2033004 1 1 1 1 1 1 1293 2684 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.3106 *483.3613* 483.3613@1.1039879 15210 1 1 11783 1 1 1 1 22685 1 1 32679 12283 1 1 1 1 1 1 1 1 1 30215 29861 1 1 1 1 37879 1 1 1 1 1 1 8478 1 1 1 1 1 1 1 11617 1 1 17331 17637 31926 29531 1 1 23548 22814 1 1 34586 1 1 1 33919 1 1 1 1 1 43131 1 1 1 1 1 1 1 1 1 1 23863 1 1 1 1 1 1 25560 25765 11649 1 1 1 483.3613 *483.368* 483.368@1.0676128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3494 1 1 483.368 *483.3944* 483.3944@1.0339336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.3944 *484.0199* 484.0199@0.8499574 24946 23701 1 1 1 1 57713 57954 1 1 1 1 28192 28084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28055 27198 1 1 1 1 1 1 1 1 1 1 24568 25249 1 1 1 1 1 1 6103 6734 1 1 1 1 1 1 1 1 1 1 1 1 9234 8913 1 1 1 1 46653 46949 1 1 484.0199 *484.145* 484.145@3.1229737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.145 *484.1451* 484.1451@3.0115614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55409 66137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.1451 *484.183* 484.183@2.2171159 1 1 1 1 7117 3271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.183 *484.1944* 484.1944@1.0958859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15444 18302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8183 5670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.1944 *484.1953* 484.1953@1.0506043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.1953 *484.2668* 484.2668@2.408514 7458 7807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18585 16752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.2668 *484.287* 484.287@1.204746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 3533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.287 *484.296* 484.296@1.2078652 2110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2949 2988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.296 *484.303* 484.303@0.92061496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.303 *484.3392* 484.3392@1.0283197 22088 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.3392 *484.3588* 484.3588@1.0990808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10200 14712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.3588 *484.3732* C19 H49 Cl N10 O2 55636 56172 42039 42195 140923 144699 60118 57728 201504 150016 142247 141674 72006 72241 128986 164924 99171 131296 84317 85183 76326 77396 175433 130549 154216 116367 106244 113876 235691 242883 129974 132707 1 312409 65772 65785 109334 111623 1 97119 157707 157718 51452 50613 223182 175764 97156 101035 134392 128215 169047 117667 100846 128607 106958 138736 249536 235853 110311 113063 131832 131259 71752 58963 186107 187681 60714 212319 161839 160625 83777 61028 73418 75530 73069 97756 179498 138050 130273 144208 88012 118636 126352 127102 109542 110159 70382 71125 98319 108115 484.3732 *484.3742* 484.3742@1.137771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11704 1 1 1 1 1 1 1 17999 1 1 1 1 1 1 1 1 216340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11740 1 484.3742 *484.7471* 484.7471@1.0868853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.7471 *484.9247* 484.9247@1.1285942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.9247 *484.9279* 484.9279@1.1626219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.9279 *484.982* 484.982@1.1144685 7574 8043 1 1 1 1 1 1 1 1 7386 6470 1 1 1 1 1 1 1 1 1 12182 1 1 1 9910 1 1 1 1 1 1 1 1 3629 5217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29479 29950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 2667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7408 10002 1 1 1 1 484.982 *485.0178* 485.0178@1.076662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.0178 *485.0293* 485.0293@1.0731193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3922 1 1 1 1 1 1 1 16061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15137 12421 12946 12100 1 1 1 1 1 1 1 1 1 1 11247 14084 1 1 8376 2805 1 1 13243 19421 1 1 1 1 2698 16637 15428 15252 1 1 485.0293 *485.0425* 485.0425@0.86741376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6968 8068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40198 38912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.0425 *485.0899* 485.0899@0.8051733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5756 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.0899 *485.2068* 485.2068@1.9675219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.2068 *485.2798* 485.2798@1.0415105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.2798 *485.3668* 485.3668@1.1185102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8814 9695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.3668 *485.375* 485.375@1.0913234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.375 *485.8775* 485.8775@5.5252857 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1186 1 1094 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1282 1 1 1 1 1207 1 1 1278 1 1118 1 1 1369 1 1180 1353 1 1318 1 1 1516 1 1 1 1 1396 1393 1 1505 1 1433 1 1 1402 1463 1 1394 1 1741 1254 1 1 1336 1 1 1343 1 1 1 1 1531 1 1 1455 1552 1 1 485.8775 *486.1895* 486.1895@0.7198437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3609 1 1 1 1 1 1 1 1 1 486.1895 *486.2006* 486.2006@1.108769 1 1 1 4775 1 1 7524 3733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2006 *486.2098* 486.2098@1.1074909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11255 11720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2098 *486.2294* 486.2294@1.0364211 1 1 1 1 1494 1 1 1 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 4783 1 1 3897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1453 1 1126 1 1 1 1 1 1 1 1 11886 1 1 1 1 1 1 1 5180 15553 4171 13926 1 1 1 1 1 1 1 1 1 17502 1 1 1 1 1 1 18816 18142 1 1 1 1 486.2294 *486.2384* 486.2384@1.0460136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13082 1 1 1 1 1 1 1 1 1 1 1 486.2384 *486.2409* 486.2409@3.7116737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11246 11732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2409 *486.2804* 486.2804@2.966157 10425 9813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23647 26011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2804 *486.2843* 486.2843@1.0129813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101388 102474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2843 *486.2952* 486.2952@1.037084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 2494 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2952 *486.3078* 486.3078@1.080283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1528 1 1 1 1 1 1 1 1 1 1 1 3875 1 3096 1 1 1 1 1 1 1992 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26101 26326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3078 *486.3324* 486.3324@1.1481762 1 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331162 273394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3324 *486.3379* 486.3379@1.13187 1 1 1 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131687 134887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3379 *486.3491* 486.3491@1.1398654 2679 1 1 1 2956 1953 1 1 4639 1 2067 5606 1 1 1 2844 1 1 1 1 1 1 3272 4027 1 1 1861 1 1 1 1 1 1 1 1 1 4086 5456 1 2797 1 1 1 1 1 1 1 3331 1 1 2079 3811 1 2866 3085 1 1 1 1 1 3232 1 7595 6107 3030 2108 1 5414 1 1 5862 5340 1 1 1 3549 1850 1 3221 1 1 1 1 1 3617 3264 1 1 1 1 486.3491 *486.3545* 486.3545@1.1488686 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 2172 1 1 1 4325 3931 1 1 1 1 1 1 1 1 4388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5473 1 1 1 1 1 1 1 1 1 3578 1 1 1 1479 1 1 1 1 1 1 1 2499 1 486.3545 *486.3667* 486.3667@1.1459854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3667 *486.3688* 486.3688@1.1549561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 4021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3688 *486.386* C20 H46 N12 O2 21129 20221 17629 16206 51788 52590 26079 25983 1 54598 45728 43531 1 1 40051 1 35928 1 28093 27956 26592 26982 1 44547 1 38320 1 1 1 1 1 1 1 1 1 1 30649 31032 39050 37318 56207 57166 26227 27645 1 50324 1 1 41865 41813 1 48861 38107 1 30438 1 100785 101787 38883 38787 48938 49294 1 18796 66676 68971 1 64822 77492 75736 1 23317 28709 28162 26618 1 1 45187 1 1 30469 1 44081 45752 1 1 29675 30202 46774 48079 486.386 *486.9158* 486.9158@1.1355999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.9158 *486.9185* 486.9185@1.1570354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3663 5509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.9185 *486.9814* 486.9814@1.1711563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10450 11343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.9814 *486.998* 486.998@1.121149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4422 1 1 1 1 1 486.998 *487.0057* 487.0057@2.8541412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25398 25959 1 1 1 1 487.0057 *487.0324* 487.0324@1.0686284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20535 13145 1 16315 1 1 10337 10200 1 11278 1 1 1 1 4623 8302 1 1 1 1 9887 1 1 1 1 1 1 1 1 1 1 1 1 1 4067 3929 5385 8526 3243 3311 1 1 9128 4092 1 4491 10954 5449 1 1 4650 10313 1 1 10658 1 1 1 1 1 487.0324 *487.1588* 487.1588@3.4380856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5064 4925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 487.1588 *487.1842* C26 H33 N O4 S2 7938 7606 9812 9278 8773 8631 6901 6872 6068 5989 8482 8786 6931 7130 11242 10350 9636 9643 1 1 5908 5720 5560 6175 6525 6344 11312 11631 7455 7154 1 2833 7042 7042 5078 5369 12064 12283 9102 8971 10722 10704 5974 6227 6505 6610 6646 7241 6539 6475 9700 8945 6253 6165 10777 10322 6629 7190 10375 10238 5291 5648 6723 7154 6975 6867 5799 5420 6260 6113 8781 8169 7890 8225 6525 6362 6238 6649 9081 9812 19052 18632 9072 9640 10939 11024 8401 8344 7575 7604 487.1842 *487.3881* 487.3881@1.0900341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5063 1 1 1 1 1 17462 1 1 1 1 1 1 1 1 1 1 1 1 1 6186 1 1 1 1 1 1 7990 1 1 1 1 1 1 1 1 4298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6882 1 1 1 1 1 6022 6394 1 1 1 1 487.3881 *488.0631* 488.0631@1.0690457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4858 5124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.0631 *488.1383* 488.1383@2.172304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.1383 *488.2074* 17a-Ethynylestradiol 2-glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 2579 1 1 1 1 5802 5954 3792 3206 3573 3252 2694 2662 6803 7682 1 1 5946 5783 1 1 4973 4610 5100 5088 3454 3653 7179 7949 1 1698 1 1 2553 2471 4199 4121 5817 5517 5114 4706 10457 10941 2766 2668 3102 3580 2747 2641 1 1 1 1 7279 6734 7555 7317 3080 2392 2976 2902 3552 3787 5375 5167 2447 1 8063 7907 3147 2698 1 1 3048 2283 488.2074 *488.222* 488.222@1.0810763 1 1 1 1 1 1 1 6258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4879 6616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.222 *488.2256* 488.2256@1.0738378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2645 488.2256 *488.2328* 488.2328@1.0588896 1 1 1 1 4282 12983 2407 1 1 1 4567 2970 7274 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 4652 1 1 1 1 1 5394 12374 1 1 5108 13142 1 1 1 1 1 1 1 3414 1 1 1 1 1 6074 9782 1 10142 1 15126 5390 1 14932 3826 13196 12691 6583 24075 1 1 6287 1 1 12212 5757 1 1 2903 3099 1 1 488.2328 *488.2398* 488.2398@1.0632848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.2398 *488.2681* 488.2681@1.0285134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.2681 *488.2791* 488.2791@1.0258378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.2791 *488.2821* 488.2821@1.2298009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9030 7318 1 1 1 1 1 1 8944 9418 1 1 6325 5654 1 1 3805 9113 1 1 1 1 4235 1 8360 6673 4342 5123 4383 4860 1 1 1 1 1 1 1 2767 1 1 1 1 1 1 1 1 1 1 7515 8065 8882 7582 1 1 1 1 8020 8424 7181 6983 1 1 4282 3835 1 1 1 1 1 1 1 5593 1 1 488.2821 *488.2871* 488.2871@1.200789 1 1 1 1 1 1 1 1 5113 4148 1 1 1 1 4241 1 1 1 1 1 1 1 1 1 1 1 4869 1 12420 12529 1 1 9312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 20540 22520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 1 1 4298 1 1 1 488.2871 *488.2956* 488.2956@1.157933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 2380 1 1 1 1 1 1 488.2956 *488.3088* 488.3088@0.96107453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4818 4661 1 1 1 1 1 1 2704 2930 5597 4704 7976 7720 1 9750 1 1 1 1 1 1 3619 3633 1 1 2158 1888 1 1 1 1 1 1 1 1 5612 4010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3088 *488.3104* C20 H41 Cl N10 O2 4136 1 3987 1 3997 4212 5309 5277 4605 4963 5570 5268 6089 6515 5505 5419 5133 5160 8062 8176 6021 6301 6636 7038 6497 6822 7370 7096 7091 7417 11529 11667 13213 13043 11676 11102 11669 11553 12945 12288 13231 13181 11318 12650 13649 12991 12132 11959 13609 13453 14553 14227 13789 14883 12939 12842 13902 14918 13887 13518 14393 14498 14482 14048 23994 26640 18141 16909 15312 14978 20957 20837 13702 13502 14096 14684 16503 15874 16527 17507 18838 18558 18046 20224 20045 21298 21048 20923 17039 16670 488.3104 *488.311* 488.311@1.1685593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 1 1 3671 4553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1 1 1 1 1 1 4723 1 1 1 2731 1 1 1 1 1 1 1 1 1 488.311 *488.3116* C24 H44 N2 O8 38275 38510 4266 6845 1 1 14417 14162 3686 4820 7114 11614 9837 12539 25972 18377 1 1 11107 10891 7125 6148 23982 21135 39167 41020 24060 23866 10230 67342 8634 8699 13478 14270 22638 22035 37456 42128 5332 5879 34843 34021 10432 10925 4467 6321 16246 1945 1 1775 40656 41765 13047 12915 26891 26155 7730 6770 22185 23139 12795 13684 1 1 1 1 1 1 1 1 9364 9612 1 1 1 1 1714 2491 1 1 15030 16309 2412 1 1 1 3292 3372 1 1 488.3116 *488.3154* 488.3154@1.1975027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 1 1 5629 5884 1 1 1 1 1 1 1 1 3379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4434 1 1 1 1 1 1 1 1 1 1 1 1 488.3154 *488.3298* 488.3298@1.193189 1 1 1 1 6591 4215 1 1 1 1 8578 7610 1 1 1 1 1 1 1 1 1 5306 1 1 1 1 1 1 1 1 1 28597 1 1 1 1 2402 1 1 1 1 1 1 1 1 1 1 1 3202 2804 1 1 1 1 1 1 1 1 1 1 1 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5036 7147 1 1 1 1 488.3298 *488.3313* 488.3313@4.0248427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7398 6700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5749 7134 1 1 1 1 1 1 10981 10504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10845 10196 1 1 1 1 488.3313 *488.3438* 488.3438@1.1441954 12378 7621 1 1 1 1 1 1 1 1 1 1 1 1 1 11220 1 1 1 1 1 1 11548 13110 1 1 1 16153 3375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5685 4589 14045 1 14414 1 1 1 5522 5245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3438 *488.3473* 25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether 1 1 8029 1 20964 20260 10127 9858 15576 15908 20795 20910 1 7814 11961 1 8895 9416 12260 1 13446 13904 19684 21542 20118 19609 16486 1 20560 23640 15825 16980 108689 16576 5038 6597 20229 17060 24209 23625 18174 15834 9758 9060 22018 126880 15711 1 80497 82718 21976 18994 17891 18410 16169 17475 1 1 14209 15162 21589 21970 66038 11134 34696 44433 22579 134009 17195 109513 16567 16836 14997 92210 15305 15187 21246 21996 16904 17120 14505 12339 18813 118134 137199 24334 135076 1 10012 10882 488.3473 *488.3573* 488.3573@1.0752382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3573 *489.0386* 489.0386@1.0683837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3538 1 1 1 5696 1 1 1 1 1 1 1 1 1 1 1 1 489.0386 *489.039* 489.039@1.0709658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 3231 1 1 1 1 1 1 1 1 3912 4350 1 1 7717 1 7001 1 1 1 1 1 9917 8125 1 1 489.039 *489.0851* 489.0851@0.82652694 7563 7246 1 1 1 1 6322 6258 1 1 1 1 6145 6626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6063 6288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3770 3920 1 1 1 1 1 1 1 1 1 1 1 1 8623 8402 1 1 1 1 3380 2984 1 1 489.0851 *489.1819* 489.1819@2.9810443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6250 5983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.1819 *490.0625* 490.0625@1.0685457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6051 6626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.0625 *490.1265* 490.1265@0.7526804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4357 6185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.1265 *490.1665* 490.1665@3.695212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5705 5700 1 1 1 1 490.1665 *490.2165* 490.2165@3.6294255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2165 *490.2271* 490.2271@1.0555317 1 1 6032 5311 1 1 1 5832 1 3779 4493 6362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 1 1 1 1 1 1 1 1 1 1 1 1 1 5802 14661 1 1 1 22957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2271 *490.2297* 490.2297@1.0560544 1 1 1 1 1 1 7471 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 1 4303 1 1 1 1 1 1 1 8074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7744 1 1 1 22121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2297 *490.2377* 490.2377@1.0655106 1 1 1 1 7405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4720 1 2778 3712 1 1 11557 11867 1 1 1 1 1 1 2837 1 1 1 1 1 1 1 1 1 1 7056 1 1 1 1 1 1 490.2377 *490.2492* 490.2492@1.053047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6000 5686 490.2492 *490.2578* 490.2578@1.0433323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7540 1 1 1 1 1 1 1 1 4082 4418 3504 5115 1 1 1 1 1 1 1 1 2092 1 23456 1 1 1 4932 1 1 1 1 1 1 1 1 7816 1 1 1 1 1629 1 1 1 1 1 1 7700 1 1 1 1 1 1 1 1 1 17585 1 1 1 1 1 1 4712 1 1 1 490.2578 *490.2587* 490.2587@0.7407495 11332 16434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3124 1 5437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2587 *490.3106* 490.3106@1.1474408 2382 3367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3106 *490.3226* 490.3226@0.91782725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2584 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3226 *490.3253* 490.3253@1.0486975 1 1 1 1 1 1 1 1 1 1 4104 1 1 1 1 7578 1 1 1 2158 1 1 1 1 1 1 10340 10556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4446 4820 1 1 1 1 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3253 *490.329* 490.329@1.187018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3373 1 1 56955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 1 1 1 490.329 *490.346* 490.346@1.2060325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5188 4808 490.346 *490.3556* 490.3556@1.144629 1 1 1 1 1 1 1 1 1 3267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7242 4612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3556 *490.3621* 490.3621@1.1186304 1 1 9434 1 24787 7856 1 1 1 1 1 16150 1 1 1 1 1 1 14475 9408 9615 1 1 1 1 1 12035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9997 1 1 1 1 7798 1 1 1 1 244516 1 49980 1 1 1 1 10109 1 1 1 27497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3621 *490.3628* C22 H42 N12 O 62946 62754 37880 41219 85433 127421 51723 51954 80446 77696 114150 97002 1 46814 69812 65702 43039 50421 61523 56112 56517 67358 111471 110232 107250 106902 98538 108809 127015 129718 79671 82836 1 117659 31272 29730 117662 112591 116706 119390 115783 113018 54793 56754 111704 7073 85849 83253 5635 1 119953 118302 104926 103295 79847 89102 24730 1 87185 79739 123536 144180 1 56792 44516 285474 103760 17055 90726 1 88365 78165 75926 1 79956 65956 116686 116102 83530 85045 92428 73440 128221 1 1 109917 1 58453 52144 54514 490.3628 *490.9243* 490.9243@3.6497283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18053 16523 1 1 1 1 490.9243 *491.0459* 491.0459@1.0650063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 1 1 1 1 1 1 1 1 1702 1 1 491.0459 *491.066* 491.066@1.0701984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 491.066 *491.1166* C22 H24 Cl3 N7 11506 11015 2842 5625 4385 3365 6344 3021 13205 13322 9352 9317 8473 3939 8987 8364 3437 3409 4031 10361 9364 7012 3952 4066 5802 6394 2981 5827 2542 3120 25572 22410 5424 20316 21218 21073 23895 21288 24305 22178 27748 25815 17079 19107 18951 18860 17097 16742 24912 24984 26758 22794 21393 22746 29538 30878 28022 29699 27006 26409 19646 19246 1 1 1 3122 6241 5679 16193 18678 23120 21683 14614 17469 13865 13487 17597 18037 27134 23124 23483 22222 17427 15141 25087 26936 47751 44742 21644 21185 491.1166 *491.3283* 491.3283@1.0234897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3283 *491.3316* 491.3316@1.1807928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3316 *491.3659* 491.3659@1.0933052 1 1 1 1 31881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23012 22667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31331 1 1 1 1 1 1 491.3659 *492.0485* 492.0485@0.87544143 3028 3223 1 1 1 1 25561 26294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17004 16850 1 1 492.0485 *492.0662* 492.0662@2.089 1 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.0662 *492.1462* 492.1462@0.82892156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9244 8259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4425 4947 1 1 1 1 1 2965 1 1 1 1 492.1462 *492.2003* 492.2003@1.1920204 1 1 1 1 1 1 6868 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 4930 5000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.2003 *492.2165* 492.2165@1.1816163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2525 2291 2596 1 1 1 2710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.2165 *492.237* 492.237@1.080298 1 1 1 1 3432 3669 1 1 1 5752 1 1 1 2919 1 1 1 1 1 1 1 1 1 1 1 1 4923 1 1 1 1 1 1 3906 1 1 1 1 1 1 1 1 1 1 1 3227 1 1 4034 4031 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2614 1 1 1 3116 3032 1 1 1 1 1 1 1 1 1 1 1 1 492.237 *492.2491* 492.2491@1.065192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5038 35630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.2491 *492.2584* 492.2584@1.0545983 1 1 11599 15543 1 1 14561 16560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3840 1 1 1 1 4393 1 1 1 1 1 1 1 1 1 1 11260 1 1 1 1 1 1 1 1 10247 1 1 1 1 1 1 1 1 1 1 1 1 5146 1 10322 1 36395 1 1 34871 1 1 6955 1 1 1 1 1 1 1 1 1 1 1 14500 1 1 1 1 1 1 1 492.2584 *492.2726* C25 H46 Cl2 N2 O S 1 4867 1 1 1 1 1 1 1 1 20200 21151 13600 9242 5056 1 4380 7171 1 1 12459 1 1 1 13383 17686 1 1 1 1 1 1 20040 17020 7712 6044 1 1 1 56891 1 1 4266 8638 1 12405 1 1 18029 14300 1 1 56214 10675 1 1 1 1 1 1 1 2997 1 1 1 1 1 1 19609 21149 1 1 4171 1 13036 11304 1 10166 16970 1 19513 20505 1 1 68258 14536 1 1 12360 10773 492.2726 *492.277* 492.277@1.0397838 1 1 1 1 76968 4531 1 1 1 1 1 1 1 1 1 12459 1 1 4819 3879 1 1 1 5250 1 1 1 1 1 1 60912 54303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6285 1 1 1 1 12764 1 1 1 1 11368 6655 4560 1 1 1 1 1 1 4353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12896 1 1 492.277 *492.287* 492.287@0.92920095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7029 5244 1 1 6470 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.287 *492.3265* 492.3265@4.7048755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 4432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.3265 *492.3376* 492.3376@1.0276991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.3376 *492.3482* 492.3482@1.1484723 1 1 1 1 1 1 1 1 1 1 6835 9470 1 1 1 1 1 1 1 1 1 1 1 1 1 2890 1 1 1 1 1 1 11368 3930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43165 1 1 1 1 1 1 1 1 8619 5335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14798 1 1 1 1 1 492.3482 *492.3535* 492.3535@1.1567708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7163 1 1 1 1 1 1 1 492.3535 *492.363* 492.363@1.1333424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4833 1 1 1 1 1 1 9858 6973 1 1 1 1 1 5355 1 1 1 1 1 1 1 1 8961 1 1 1 7855 1 1 1 7434 6333 1 1 1 1 1 1 1 1 1 1 1 1 1 9559 1 4286 1 1 1 1 492.363 *492.375* 492.375@1.1180493 1 1 1 1 1 25321 11855 11610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9015 1 1 1 1 1 16330 1 1 1 1 1 1 6287 1 1 6272 1 4779 2788 1 1 1 1 1 5262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11095 11361 5770 1 1 1 1 1 1 1 1 1 1 492.375 *492.3781* C26 H48 N6 O3 64563 65650 51970 52139 163061 137196 58178 56631 110740 109670 123992 127555 1 54279 87396 87070 52041 57994 74467 75915 79123 79665 122501 118107 112744 113552 111599 109183 157062 140558 117396 121912 139703 137844 37599 37661 123202 123400 134327 128346 127364 120631 57484 60618 123169 126682 98182 99416 115976 113480 153338 144817 109201 111346 102382 101786 1 1 94841 95513 129792 115064 72394 62273 225977 229543 146512 159921 121016 122009 78053 165399 76888 77425 84966 82523 139410 128955 86632 95574 68131 83155 139671 139329 106528 107419 1 84743 66197 67038 492.3781 *493.1154* 493.1154@1.0954077 1 1 1 1 1 1 1 2425 1 1 1 1 1 3866 1 1 2917 2991 6398 1 1 1 3973 7959 1 1 4170 1 2678 2409 1 1 7838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3320 3481 9758 10917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.1154 *493.1356* 493.1356@1.0881243 1 1 1 1 15128 12972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.1356 *493.23* 493.23@1.0785971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.23 *493.2408* 493.2408@1.0742267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1674 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.2408 *493.2732* 493.2732@1.0371855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.2732 *493.2881* 493.2881@1.0317042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.2881 *493.3737* 493.3737@1.1208601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3737 *493.3748* 493.3748@1.0952799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 2105 1 25824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20146 1 1 1 493.3748 *493.9746* 493.9746@3.5640695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.9746 *494.1184* 494.1184@5.596019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5300 7488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1184 *494.1298* 494.1298@1.0881689 2374 2223 14473 15054 1 1 19692 18024 3112 1 1 1 6469 10727 1 1 9599 9548 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3522 4459 4155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3693 4109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1298 *494.1675* 494.1675@0.95797753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1675 *494.1744* 494.1744@2.997921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1744 *494.1755* 494.1755@3.0899603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1755 *494.1893* 494.1893@1.1953199 1 1 1 1 1 1 1 1 1 1 1 1 3609 3149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1893 *494.1897* 494.1897@1.2784662 1 1 1 1 1 1 1 1 1 1 1 1 29236 30369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1897 *494.2167* 494.2167@1.9466536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5835 1 1 1 1 1 1 1 1 4832 5728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3781 5661 1 1 1 1 494.2167 *494.2306* 494.2306@1.104223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8324 8731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3371 2766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.2306 *494.2372* 494.2372@1.0783651 1 1 1 1 1 1343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.2372 *494.2477* 494.2477@4.3165097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.2477 *494.2486* 494.2486@4.696888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5467 5783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9761 1 1 1 1 1 494.2486 *494.2712* 494.2712@0.854271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.2712 *494.2721* 494.2721@1.029776 1 2199 1 1 1 66691 1 1 3969 4896 1 1 1 1 49410 1 41445 1 1 1 1 1 1 5202 1 1 63759 67518 30810 30404 1 1 1 1 1 1 1 1 1 1 1 51116 51637 1 1 1 1 1 1 1 7022 1 1 1 1 1 1 1 1 1 1 9007 1 1 1 1 1 1 1 1 1 1 8023 22915 1 1 28534 67397 1 120528 1 1 1 20697 65910 1 1 1 1 1 494.2721 *494.2774* 494.2774@1.0385834 1 1 1 1 3433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4558 1 1 1 1 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4061 1 1 1 494.2774 *494.3254* 494.3254@1.2025014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3254 *494.3338* 494.3338@1.1430634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3338 *494.3456* 494.3456@1.1420785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 494.3456 *494.3571* C25 H52 Cl2 N4 O 1 1 1 1 1 1 1 1 4877 11960 11033 6056 1 1 1 1 1 1 1 1 1 3492 5874 1 5378 2968 20677 2208 37960 40061 12746 1 1 7212 1 1 3895 1 2479 4936 23988 3569 1 1 1 1 1 1 10130 22211 4839 4814 2632 2217 1 2788 1 1 1 1 17588 12889 1 1 47894 31773 5520 16579 5117 1 1 1 1 1 1 1850 1 1 2040 1 13383 14156 1 3757 2927 2970 1 1 1 1 494.3571 *494.3583* 494.3583@1.1367438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5925 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29494 1 1 1 1 1 1 30875 5152 1 1 1 1 21708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43472 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 1 1 1 1 1 1 1 1 1 494.3583 *494.3655* 494.3655@1.1374438 1 1 1 1 4187 23351 1 1 1 1 1 1 1 1 9187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13987 1 1 1 1 1 1 20412 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3655 *494.3913* 494.3913@1.1044718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8747 1 1 1 1 9623 1 1 1 1 1 1 10622 1 1 11571 494.3913 *494.3934* C21 H51 Cl N10 O 63584 99343 67573 45028 155381 156151 104413 65009 137755 138009 135588 133442 54905 56086 156204 99540 106495 100636 75760 74637 75023 75083 111641 111283 107272 158759 90497 90798 179813 179812 142459 147439 156422 154516 55149 55824 122475 122114 125871 115551 127826 127673 84653 89116 149510 152215 141862 89422 108302 106496 149696 150838 127585 90597 104294 101317 160424 161879 112814 102195 131898 134639 64805 51516 159951 157746 136212 138678 141678 140997 98225 1 81680 82684 107067 76164 146849 148365 109178 167916 91143 90352 132741 132279 143720 91638 161957 104520 79315 67104 494.3934 *494.9614* 494.9614@1.126253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.9614 *495.052* 495.052@1.1783352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 4426 10618 11952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8204 6320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.052 *495.0637* 495.0637@1.1234968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 4329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.0637 *495.1128* 495.1128@1.0942292 1 1902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3176 4215 1 4111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 1 5191 1 1 1 1 1 1 1 1 1 1 495.1128 *495.1181* 495.1181@1.0937781 1 1 1 1 1 1 1 1 2766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.1181 *495.1267* C27 H26 Cl N O4 S 8596 8950 5147 5205 5930 5740 5188 5196 1 1 7018 7397 5136 5520 4712 4661 1 2547 12770 12555 10479 10789 5466 5249 5626 6078 6745 6703 4712 4496 4459 4519 7172 6931 3948 3968 8552 9008 8555 8290 5111 4336 9591 9903 9476 9577 4939 4763 5322 5375 4760 4413 6056 6398 9907 9562 9298 9284 9696 10085 1 1 4465 1 6677 6809 5518 5559 5873 5806 13713 13276 6456 6929 5488 5686 10018 10089 7997 8089 12783 13463 10629 11299 12843 12056 8986 8700 5074 5752 495.1267 *495.2784* 495.2784@1.0398935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.2784 *495.3919* 495.3919@1.1042509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 2921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 1 1 5303 10509 1 1 1 1 1 1 1 1 1 1 1 1 495.3919 *496.0334* 496.0334@0.83107996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5977 6232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13095 12793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33632 32495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.0334 *496.1229* 496.1229@2.1659636 1 1 1 1 1 1 7700 6879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3443 3119 1 1 1 1 1 1 1 1 1 1 496.1229 *496.123* C23 H20 N4 O9 50035 49265 30184 30350 34980 35623 32334 31275 20231 20655 43135 42081 32524 33696 28029 26497 15604 16423 73602 72084 60955 62521 29674 30858 35071 34837 37209 36437 26756 28158 24991 25819 37292 37723 23021 23843 47432 49673 45577 46284 27999 27255 53747 55432 50700 50841 28120 27521 28771 29414 26747 26245 35206 34544 57026 56439 50984 51749 56963 58222 13217 14373 25901 25965 37924 38689 32253 31045 32323 32865 79852 76881 36855 36768 31377 30413 56942 56822 41829 44277 72694 73228 64145 64784 73600 71772 53095 51388 29649 29837 496.123 *496.1314* 496.1314@1.0883119 1 1 1 1 1 1 1 1 3912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 2115 1 3440 4112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4607 5241 1 1 496.1314 *496.1465* 496.1465@1.0825434 1 1 1 1 1 1 1 1 1 1 1 1 4060 1 1 1 1 1 1 1 1 1 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.1465 *496.1635* 496.1635@1.0596212 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.1635 *496.1966* Glu Tyr Trp 9095 8259 6048 6554 7304 7569 1 6399 7006 7974 8700 8472 3451 7030 1 1 1 1 8695 7910 7653 7147 8184 7439 5880 6288 8677 9026 9093 7505 7798 8193 8117 10040 8999 8444 9975 10215 8620 9542 9257 9643 8968 8353 7361 6370 6944 7336 6315 6542 1 4971 1 6606 6499 6895 7643 7191 7067 7019 6492 6341 6981 6229 6438 7253 1 6759 7330 3631 8237 9902 6957 7062 6394 6190 7219 6422 7364 6731 9809 9514 6714 7201 7520 6564 6310 5909 7598 8023 496.1966 *496.1978* 496.1978@1.4337482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.1978 *496.2273* 496.2273@5.6636767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2762 1 1 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1 496.2273 *496.23* 496.23@3.8562694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8673 13841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.23 *496.2639* 496.2639@3.2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.2639 *496.2652* 496.2652@3.6584287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.2652 *496.2674* 496.2674@4.431081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5135 1 1 1 1 1 496.2674 *496.282* C23 H48 N2 O3 S3 1 1 6266 4717 1 1 1 1 3211 4908 9957 9578 5095 5429 1 1 1 1 5264 5305 6801 7420 4502 4830 1 1 6881 5172 11605 11734 2662 1 5038 4951 1 1 3843 1 6421 3897 4957 5133 1 1 1 1 1 1 1 1 4991 7515 1 1 5785 5369 1 1 1 1 1 1 3450 3441 3954 1 8400 9187 1 1 1 1 1 1 3433 4251 5476 4518 4424 3824 1 1 8330 9857 1 1 1 1 1 4307 496.282 *496.2824* 496.2824@0.9329479 1 1 1 1 1 1 1 1 6804 1 1 1 1 1 1 1 1 1 1 1 1 1 6453 6344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.2824 *496.2894* 496.2894@4.7337146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.2894 *496.2946* 496.2946@4.72492 1 1 1 1 1 1 1 4053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7104 7398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.2946 *496.3447* 496.3447@1.1534203 1 1 1 1 1 1 1 1 1 1 37365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14990 1 1 1 1 7285 8879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 15926 1 1 1 1 27720 1 1 1 1 3021 1 496.3447 *496.3581* C26 H54 Cl2 N2 O2 1 3389 3405 12342 1 1 1 3349 1 1 1 41166 7193 1 1 3733 2501 1 6539 15346 1 5574 32817 1 7742 28080 1 1 1 1 1 17917 1 1 2481 1 11821 1 7861 8081 1 1 5498 1 1 30791 5689 9998 1 1 1 22356 4553 10626 13385 1 45845 1 13886 16488 1 1 17851 4007 1 1 1 1 1 1 18967 4033 13650 15443 12944 1 1 21437 1 13373 1 1 40697 1 1 22233 6184 1 1 1 496.3581 *496.3648* 496.3648@1.1243426 1 1 1 1 6055 1 1 1 19286 1 1 1 1 2367 1 1 1 15427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5873 1 1 1 1 1 9531 1 1 1 1 1 1 1 1 1 1 1 1 1 6690 1 1 1 1 1 1 1 1 1 1 1 1 33479 1 1 1 1 1 1 18249 1 1 1 1 1 1 1 1 1 1 1 3410 1 21437 496.3648 *496.4073* C31 H57 Cl O2 35340 1 1 22362 112035 108375 6943 44079 97735 98789 100892 79397 39234 36734 1 58274 1 1 42819 41937 45121 45512 61566 63616 54310 1 46654 48175 158909 161519 126750 122183 98452 98390 1 1 68736 72380 58833 58012 76553 73070 1 1 90442 93031 1 50451 86747 83857 117664 113848 1 45664 57230 55981 146655 111334 61617 61424 65360 65970 1 26202 64958 64001 70514 71824 117206 113532 1 1 50649 59638 1 38074 125676 119784 63595 1 52745 55066 81631 73732 1 51812 1 77904 70539 54794 496.4073 *496.9606* 496.9606@1.1249673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.9606 *497.0538* 497.0538@1.1532452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.0538 *497.1466* 497.1466@1.9691975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5022 4726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.1466 *497.2797* 497.2797@2.800266 1 1 1 1 15265 15394 5012 6190 6679 6623 1 1 1 1 9226 6063 18144 10586 6015 5854 1 1 14916 13090 1 1 1 1 1 1 12343 11268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6567 8178 1 1 1 1 7603 8831 1 1 1 1 1 1 14906 14523 1 1 3904 1 497.2797 *497.3388* 497.3388@1.2105097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.3388 *497.3578* 497.3578@1.1321739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3981 1 1 1 1 1 1 1 1 1 3771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.3578 *497.3692* 497.3692@1.1207879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.3692 *497.4029* 497.4029@1.070056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.4029 *497.4101* 497.4101@1.0505433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.4101 *497.9764* 497.9764@1.0144618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.9764 *498.212* 498.212@1.0593634 1 3254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.212 *498.2175* 498.2175@1.962184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9842 9264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2175 *498.2183* 498.2183@1.115917 1 1 1 1 1 1 1 1 1 1 1609 1 7124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 3811 5124 1 1 1 1 1 1 1 1 1 1 1 1 1 4603 5189 1 1 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1608 1 1 1 1 1 1 1 498.2183 *498.2281* 498.2281@0.9489087 1 1 1 1 1 1 1 1 1 1 4151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2281 *498.2303* Phe Phe Trp 3097 3288 4572 4566 1 2407 7392 8918 1 3181 4575 6459 1 7041 1 1 15469 1 4942 2110 2694 2630 6170 2669 13078 2657 1 4077 1 1 4199 4175 2302 1 3731 2441 1 4325 1 2757 2571 4073 1 3144 5679 1 76304 70056 1 1 2569 3833 1 4371 1 1 1 1 3683 1 1 1 40200 1 92203 92044 5454 5107 1 1 7868 8441 2330 2232 49166 4780 14011 71506 1 1891 1 1 50479 1548 3753 4093 1 1 3359 3529 498.2303 *498.2334* 498.2334@1.0357136 1 1 1 1 59233 55736 1 1 1 1 1 3024 1 1 1 1 1 1 1 1 1 1 3562 5902 1 11800 1 1 1 1 3663 1 4389 3685 1 1 1 1 29573 48920 1 1 1 1 1 56761 1 1 7720 26537 1 1 51415 1 1 1 1 1 1 1 1073 1 1 13635 1 1 80068 74816 49288 27361 54270 59657 3556 38577 1 1 1 1 1 1 1 1 1 49112 66440 42565 1 1 1 1 498.2334 *498.2805* 498.2805@3.904265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9523 8112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2805 *498.2805* 498.2805@4.513349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25626 25225 3947 1 1 1 4633 4829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2805 *498.2809* 498.2809@4.2726607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163640 160804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2809 *498.3172* 498.3172@1.6108756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6293 6825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3172 *498.319* 498.319@0.91492176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5484 5456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.319 *498.3326* 498.3326@1.0353506 1 13042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3326 *498.3417* 498.3417@1.0413021 20178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3417 *498.3437* 498.3437@1.1173021 8501 1 1 1 1 1 1 1 1 1 1 1 1 1 5987 5972 1 2037 1 1 1 1 1 1 1 1 10403 3966 1 1 9349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3437 *498.3486* 498.3486@1.1387322 1 4161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3712 1 1 1 10280 10306 1 1 1 1 1 1 1 1 1 1 1 10921 1 1 1 1 1 7520 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 1 6175 1 1 1 1 9595 1 1 14934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7164 1 1 5492 1 1 498.3486 *498.3573* 498.3573@1.1202862 1 6932 8446 1 8514 1 5017 9724 1 23031 1 1 1 1 1 1 1 1 12518 1 1 1 1 23599 1 1 1 1 1 1 1 1 30816 1 1 1 19960 1 1 1 1 20703 1 1 1 1 5900 1 21727 1 1 4288 12278 17353 1 1 1 1 1 1 1 21542 1 4823 1 21217 1 35212 1 9608 1 9694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10665 1 498.3573 *498.3774* 498.3774@1.0584407 1 1 1 9053 1 1 1 1 1 1 1 1 1 8959 1 1 1 1 1 1 1 1 42941 1 1 1 1 1 1 1 1 1 1 1 32949 19600 33238 33162 1 1 1 1 19478 17343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28390 27501 26053 1 21873 1 1 1 1 1 18254 38299 1 1 1 46539 1 1 1 1 45585 11813 1 1 1 1 1 1 1 1 498.3774 *498.3818* 498.3818@1.0576835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29189 21926 12622 1 18780 28034 26181 1 1 66233 50183 54474 1 1 1 1 1 1 1 42946 1 1 1 1 80162 42344 31070 20450 1 1 1 1 34084 1 1 1 1 1 1 1 16171 23519 1 1 1 1 1 1 1 12530 1 98955 1 1 1 1 1 1 1 1 5895 1 1 1 13675 16203 1 1 1 1 75792 78269 1 1 1 29281 498.3818 *498.3918* 498.3918@1.0594504 1 1 1 1 1 1 1 1 1 1 1 39217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23714 1 1 1 1 1 1 1 1 1 1 1 23532 76067 1 1 1 1 1 1 1 1 1 1 1 52633 1 1 1 1 1 1 1 1 66501 41349 1 1 1 1 11277 1 1 1 1 1 1 1 1 1 1 27807 1 1 1 1 1 1 498.3918 *498.9508* 498.9508@1.0229706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 498.9508 *499.0515* 499.0515@0.8351402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.0515 *499.1202* 499.1202@1.0431587 1 1 13830 14727 1737 1 22672 22490 5126 2199 17862 16867 19613 8225 2895 2820 5993 2388 1 1 1 1 5544 5501 3961 3569 1 1 1 1 1 1 1 1 9707 9590 1 1 2287 2633 1 1 1 1 1 1 1 1 1 1 1 1 1842 1 10146 8156 2390 2486 15911 15676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.1202 *499.128* 499.128@1.0394866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3363 2887 1 1 1 1 1 1 2514 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.128 *499.1426* 499.1426@1.038326 29645 11084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.1426 *499.1462* 499.1462@1.9686966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 2701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.1462 *499.1495* 499.1495@1.0333683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1886 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.1495 *499.182* 499.182@4.4829473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10900 10670 1 1 499.182 *499.2278* 499.2278@1.0438929 7275 6208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.2278 *499.269* 499.269@5.3942833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3124 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.269 *499.2942* 5β-CHOLANIC ACID-3α, 12α-DIOL N-(2-SULPHOETHYL)-AMIDE 1 1 1 1 66803 73904 19711 34592 7797 10451 1 1 1 1 21055 24040 32643 34001 9693 8262 1 1 9233 10800 1 15730 1 1 1 1 36263 37098 1 1 4913 4512 1 1 1 1 1 1 6036 8815 5703 5740 6784 1 91988 81833 1 1 1 1 8113 1 1 1 20841 21902 13843 13870 6086 10452 1 1 1 1 1 1 23351 18191 1 1 7590 7110 1 4028 1 1 27409 28069 12029 7982 6903 8971 1 1 19442 19355 499.2942 *499.2943* 499.2943@3.278654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7191 1 1 1 11585 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.2943 *499.2944* 5β-CHOLANIC ACID-3α, 12α-DIOL N-(2-SULPHOETHYL)-AMIDE - 3.2472885 14846 12253 5213 6360 100840 97904 86345 76600 24846 25061 1 1 1 1 48611 46491 67546 66010 22864 31891 1 1 28264 54803 23246 6397 1 1 1 1 84395 76731 1 1 25284 23603 1 1 1 1 1 1 8445 9939 10399 7969 11448 17042 65387 72455 10617 6520 1 1 1 6858 1 1 36142 33872 20532 21134 5102 1 1 1 1 1 1 1 25742 32834 1 1 19210 9363 11698 10933 1 1 36855 32717 9920 9662 22799 18693 1 1 41649 40308 499.2944 *499.344* 499.344@1.0772665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.344 *499.3574* 499.3574@1.11655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4493 5647 1 1 1 1 1 1 1 3874 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5037 6950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.3574 *499.3622* 499.3622@1.1043183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 4176 1 1 1 1 1 499.3622 *499.3713* 499.3713@1.0883464 1 1 1 1 1 1 1 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 1 1 1 1 499.3713 *499.3822* 499.3822@1.074851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4226 1 1 499.3822 *499.3947* 499.3947@1.0560143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5414 4830 1 1 1 1 1 1 1 5302 1 1 1 1 1 1 1 1 1 1 1 1 499.3947 *499.9354* C16 H4 O19 93103 92841 147178 149047 64927 64818 113069 109863 99379 100017 220265 219998 28543 28111 76762 74423 7570 7369 59525 60103 138898 139726 137220 138672 120470 122746 26487 25807 97464 97008 81345 81228 93030 93504 70407 70252 43674 45378 100636 100708 98642 97689 23376 24662 53904 53481 60724 61979 127014 126766 222191 221757 55958 57047 96724 96219 41199 41476 70498 73362 59572 58663 67234 65755 46604 47208 85718 86200 84902 84515 85317 85051 78155 77323 59436 58908 433011 432384 74941 76269 14066 13243 50047 51633 45899 47804 73838 74178 83144 66618 499.9354 *500.1392* 500.1392@3.3843706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.1392 *500.1404* 500.1404@3.4272265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12894 4443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.1404 *500.1623* C25 H28 N2 O7 S 7570 7881 1 1 1 1 1 1 1 1 9198 9925 5879 5464 1 1 1 1 44951 45610 12950 13651 25040 25289 1 1 1 1 16647 17689 4355 5139 7004 7495 1 1 1 1 1 1 1 1 1 1 20825 19975 8940 8495 1 3661 1 1 1 1 3160 1 12503 13155 1 1 1 1 1 1 1 1 1 1 1 1 7241 7273 1 1 1 1 1 1 11239 11878 7951 7351 4868 4667 4565 5244 1 1 1 1 500.1623 *500.1782* p-Hydroxyphenylbutazone glucuronide 7151 7557 11507 12401 7270 7606 8511 8874 13413 12545 8474 6261 6553 6657 7304 7329 9422 8628 6613 1 4945 4831 8508 8355 4736 5820 4994 5271 3784 10885 2651 2391 4126 3250 3001 3197 1 1 1 1 5419 5178 1 1 1 1 1 1 4158 3937 4740 4523 5296 4680 3898 4357 1 1 1 1 4368 3390 4296 4193 1 1 5559 5436 1 1 2790 2445 2834 1 3901 1 1 1 1 1 1 1 1 3182 1 1 1 1 1 5823 500.1782 *500.1887* 500.1887@2.0423574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.1887 *500.1962* 500.1962@0.69866014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1898 1 1 1 1 1 1 1 1 1 1 1 1 500.1962 *500.2396* 500.2396@1.1912504 8222 26210 1 1 1 1 1 1 1 1 8574 7875 1 1 1 1 1 1 5760 5815 6022 6263 1454 1 1 1 1 1 1 1 1 1 1 1 16583 16883 1 1 1 1 1 1 1 1 2861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15636 1 500.2396 *500.2471* DEACETYLGEDUNIN 24153 8383 1 1 1 1 15661 14919 4139 3918 53604 53581 11686 44246 1 1 1 23799 39990 41319 44022 41352 13287 1402 14203 58406 1 1 1 1 46538 44673 45704 1 29047 28261 54452 53697 1 1 3432 3448 38083 39533 55198 3220 1 1 38714 1 64927 12841 1 47550 33719 49276 3321 2357 43871 48382 1 36841 1 1 1 1 3943 2869 1 1 39185 38412 36770 1 1 48552 62119 1619 1 1 52300 49981 4434 4215 1 1 1 1 37555 14437 500.2471 *500.2513* 500.2513@1.0599899 1 1 1 1 1 1 1 1 19869 32617 1 1 1 1 56888 54116 1 1 1 1 1 1 1 49317 1 1 49460 46678 50851 57156 1 1 1 64987 1 1 1 1 1 1 64851 48061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49128 49317 1 1 38189 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1680 1 48219 48367 1 1 1 1 1 1 37484 37547 1 21856 500.2513 *500.2658* 500.2658@1.2026544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.2658 *500.2866* 500.2866@4.3102665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.2866 *500.2956* 500.2956@4.682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3047 3674 1 1 1 1 7016 6593 1 1 5183 4517 500.2956 *500.2972* 500.2972@3.239952 1 1 1 1 1 1 11689 5860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.2972 *500.3133* 500.3133@1.1806188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6738 6835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.3133 *500.3157* 500.3157@1.138044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34912 36724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.3157 *500.329* 500.329@1.0916749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.329 *500.3343* 500.3343@1.0783186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5122 1 1 1 1 1 1 1 1 1 1 1 500.3343 *500.3429* 500.3429@1.0860732 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 4654 1 3012 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5828 1 1 1 1 1 1 1 1 1 1 500.3429 *500.3629* C18 H49 Cl N12 S 1 1646 6320 2787 11682 11407 3153 1 8458 1 1 1 3070 1 5607 2601 6963 1 8420 5830 1 1 1 1 11032 1 1 1 11777 7553 1 1 1 1 1 1 1 12317 1 8497 11963 1 1 1 10144 1 6505 5591 1 3401 8071 1 1 1 4728 4516 1 1 10497 8851 6214 1 2267 1 10113 1 14389 1 1 1 1 3285 1 4311 5538 1 7478 8826 1 1579 5226 3496 1 10128 4942 1 1 1 5240 1 500.3629 *500.3681* 500.3681@1.1307787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4430 1 6608 1 1 1 1 1 1 1 1 1 1 1 12157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3623 1 20818 1 1 1 1 1 1 1 1 1 1 1 8570 1 1 1 1 1 1 1 1 1 1 1 3513 1 1 1 1 1 1 1475 1 500.3681 *500.3733* 500.3733@1.065945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9022 1 500.3733 *500.3813* 500.3813@1.0533589 9159 12867 4862 1 13467 19027 13546 12781 13582 11986 15073 1 9477 8823 1 1 7013 4966 1 1 1 1 1 1 1 1 1 10984 10647 13245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6863 25290 24814 15797 1 11493 1 16345 1 15851 11729 1 1 1 1 34771 1 1 1 13270 12693 1 1 7963 1 1 1 1 1 1 8895 1 10021 1 1 1 1 1 1 1 1 500.3813 *501.0706* 501.0706@0.7998066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2993 3042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4610 4262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.0706 *501.1195* 501.1195@1.0419588 1 1 1 1 1 1969 1 1 1 2013 1 1 1 9738 3881 3070 1 3297 1 1 1 1 6936 5592 4007 4299 1652 1901 2874 3062 1 1 1 1 1 1 3191 3291 2498 2546 1 1 1 1 1 1 1857 1 1 1 1 1 1 2028 1 1 2636 2317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 1 1 501.1195 *501.1424* 501.1424@1.0394621 1 12767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.1424 *501.2368* 501.2368@0.7013279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 3113 1 1 1 1 1 1 1 1 501.2368 *501.2817* 501.2817@5.260061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 2537 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.2817 *501.283* Fexofenadine 14725 15145 14096 14381 12545 12007 26693 26674 16975 16845 15595 15273 12519 13702 16523 16246 9198 11929 17203 17349 15843 16108 12577 13325 13041 13183 14954 14566 11633 11659 25736 25688 20080 19528 10333 10575 16948 17407 13290 13432 18341 19060 10294 10560 9380 9422 14736 14335 19201 19694 26001 25966 7824 8046 12326 12383 31597 31450 17606 17310 18837 19289 11360 12106 7725 8126 16728 17221 19258 19273 10337 11021 12440 12347 22132 23446 18554 19268 17895 19199 14423 14177 13440 11849 12026 12344 25666 24853 11657 12505 HMDB05030 C06999 501.283 *501.2852* 501.2852@4.1596785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42446 42073 1 1 1 1 1 1 1 1 1 1 1 1 501.2852 *501.3483* 501.3483@1.0769539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.3483 *501.3699* 501.3699@1.140363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.3699 *501.3839* 501.3839@1.0516701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.3839 *501.8499* C12 H7 Cl N2 O8 S5 1 1 1 1 1 1 1235 1 1 1 1083 1139 1 1272 1394 1181 1 1 1427 1 1 1208 1 1 1409 1293 1 1 1217 1 1 1207 1 1 1 1321 1 1 1 1 1 1 1 1 1 1618 1404 1299 1261 1 1228 1351 1325 1500 1222 1263 1365 1361 1311 1276 1303 1296 1 1327 1500 1335 1450 1597 1 1469 1807 1778 1299 1 1315 1319 1269 1 1384 1 1584 1628 1452 1371 1 1343 1627 1706 1 1336 501.8499 *501.8599* 501.8599@1.1267836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.8599 *502.0909* 502.0909@1.1905421 1 1 1 1 1 1 3826 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.0909 *502.1564* C28 H26 N2 O5 S 23401 23397 28631 28740 16282 16864 13457 12697 13858 14186 21146 21853 20211 20976 18770 19357 15801 15612 63054 61759 16570 15835 34782 30312 12575 17862 20213 23833 27017 27048 14492 14530 36841 37177 6823 7402 15296 16227 12953 13443 39226 41875 13960 14509 20878 19308 16296 15336 21066 22032 14430 15263 16435 15774 15714 17464 20791 19129 31247 31423 10490 19464 10522 10110 15643 15290 21628 20624 22881 21499 37125 39020 17002 18016 25427 25328 23800 23078 22136 15818 29289 29855 36016 35986 13699 12739 15651 16393 30915 30710 502.1564 *502.1572* 502.1572@2.0302665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6486 1 1 1 1 1 1 1 1 1 1 502.1572 *502.1789* 502.1789@1.2699734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10004 10424 1 1 8280 8979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 4370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.1789 *502.1791* C19 H26 N12 O S2 18635 18951 1 1 1 1 1 1 1 1 10765 10762 3437 3123 1 1 1 1 39690 40841 11785 11722 24926 27718 1 1 1 1 9226 1 1 1 11477 11968 1 1 1 1 1 1 1 1 1 1 20368 20307 15513 14508 5536 4597 1 1 1 1 1 1 4542 4697 2891 3895 1 1 1 1 1 1 1 1 1 1 13992 12647 1 1 1 1 1 1 12479 11869 4599 4079 7526 7783 2365 3429 1 1 3927 1 502.1791 *502.2352* 502.2352@0.7015987 10018 9674 1 1 1 1 1 1 1 1 1 1 1 1 6083 5762 1 1 1 1 1 1 1 1 5033 7329 12157 12146 10352 10760 1 1 1 1 1 1 8607 8693 1 2514 10453 10034 1 1 1 1 1 1 1 1 10044 9596 1 1 5404 5528 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13644 13358 1 1 1 1 1 1 1 1 502.2352 *502.2571* 502.2571@1.2044277 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.2571 *502.2573* 502.2573@1.0501729 14762 14622 52956 51783 1 1 74671 57182 1 1 1 1 46522 1 1 1 1 1 1 1 1 1 18212 1 20546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22428 1 1 1 1 1 1 1 1 1 1 1 28317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.2573 *502.291* 502.291@1.1533873 6302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.291 *502.2957* 502.2957@1.1542145 1 8237 1 1 1 1 1 3610 8468 10111 1 1 1 1 1 1 1 1 1 1 1 1 10082 1 1 1 1 1 1 1 1 1 1 5540 13031 13045 8961 9661 2710 1 1 1 1 1 1 1 1 1 1 1 7913 6617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3337 1 502.2957 *502.3046* 502.3046@2.189924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9068 9374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3046 *502.314* 502.314@1.1393933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 6107 1 1 1 1 1 1 1 1 9005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 502.314 *502.3282* 502.3282@1.1651676 1 1 1 1 1 1 1 1 1 1 1 7682 1 1 1 1 1 1 1 1 1 1 1 1 3531 1 11045 14044 8382 6929 1 1 1 4388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4709 1 4101 4876 1 7970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3282 *502.329* 502.329@1.123636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.329 *502.3383* 502.3383@1.1221416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3206 1 1 1 1 78899 1 1 1 1 1 1 1 1 1 1 1 3640 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3383 *502.3389* 502.3389@1.1260285 1 1 1 1 1 1 1 1 1 1 6221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11321 1 2046 1 5113 1 1 1 1 1 1 1 1 1 1 1 1 5693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3389 *502.3525* 502.3525@1.1090872 1 1 1 1 1 1 6089 1 1 1 1 1 1 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21513 1 1 1 6728 1 1 15223 1 1 1 1 1 6515 1 1 10476 1 1 1 3784 1 1 1 1 1 1 1 15661 4678 1 1 8866 1 1 4353 1 13091 1 1 1 1 1 1 1 1 1 1 1 1 17132 2349 1 1 1 1 1 2401 502.3525 *502.3697* 502.3697@1.0874299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 1 1 1 1 1 1 1 1 1 1 1 5624 1 1 1 2643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3048 1 502.3697 *502.3764* 502.3764@1.1363552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3764 *502.3895* 502.3895@1.0801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5694 1 1 1 1 1 502.3895 *502.3985* C27 H55 Cl N4 O2 25019 26326 16604 15641 48088 48769 29933 30336 34039 33403 43804 44508 25034 24020 26130 28858 20519 18535 27516 26590 28235 30775 38470 1 1 1 55098 53663 37972 72864 36051 38302 64700 36094 1 18150 67066 67620 1 51480 30026 31694 35945 18465 39532 1 52267 50940 23638 46475 65009 63556 28063 1 56550 59166 64120 1 43941 44238 57794 56068 1 17907 117531 1 1 56992 28270 31966 36713 1 21853 46281 27646 1 41327 72035 32072 32790 1 25324 50926 51234 1 1 47211 45253 38434 18107 502.3985 *503.0749* 503.0749@1.0845829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22204 21883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.0749 *503.1583* 503.1583@2.0276914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.1583 *503.1835* 503.1835@1.1502341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.1835 *503.2631* 503.2631@1.0475128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 1 1 1 1 1 1 1 1 1 1 3411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5511 1 1 1 1 503.2631 *503.3713* 503.3713@1.075872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 503.3713 *503.401* 503.401@1.0465839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9835 7361 8605 1 1 1 1 1 1 1 1 4649 1 1 1 13408 1 1 1 1 1 1 9694 1 1 1 1 1 1 1 7007 1 1 1 1 1 1 1 1 4650 1 1 17365 7820 1 1 1 1 5927 1 1 1 6798 1 1 1 1 6005 1 1 1 12979 14029 1 1 1 1 503.401 *503.859* 503.859@1.1260742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5392 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.859 *504.048* 504.048@3.7222006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20442 18282 1 1 1 1 504.048 *504.0491* 504.0491@3.617239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5615 5112 1 1 1 1 504.0491 *504.0607* 504.0607@1.0657309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8633 8498 1 1 1 1 31521 33561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.0607 *504.0882* 504.0882@1.192 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.0882 *504.0989* 504.0989@1.0414314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10007 10926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.0989 *504.1197* 504.1197@0.7952143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4288 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.1197 *504.1959* 504.1959@2.814837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140293 148495 1 1 1 1 1 1 1 1 504.1959 *504.1963* 504.1963@2.7472482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149206 152599 1 1 1 1 1 1 1 1 504.1963 *504.2724* 504.2724@1.622615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14550 16160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14681 18740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.2724 *504.2732* 504.2732@1.8113093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4736 6535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9958 8685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.2732 *504.2747* 504.2747@1.0449533 46459 33065 1 1 1 1 1 1 13527 1 1 1 1 1 1 1 10518 1 1 1 1 1 19694 1 18765 1 1 1 1 1 1 1 1 1 1 1 1 1 18527 1 1 1 1 1 1 1 1 1 1 16556 1 27260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22063 1 1 1 14583 504.2747 *504.3341* 504.3341@1.1372905 1 1 1 1 1 6854 1 2105 1 1 4247 1 1 3726 7316 1 1 1 1 1 1 1 4309 1 1 1 1 1 1 6529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3341 *504.3422* 504.3422@1.1331661 1 1 1 1 3292 1 1 1 5084 1 1 1 1 1 1 1 1 1 1 1 1 4577 1 1 1 1 1 1 1 1 1 29553 1 1 1 1 1 1 1 1 1 1 1 1 7445 3280 1 1 1 1 1 1 1 1 1 1 1 1 8676 1 1 1 1 1 1 1 14642 6386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5644 1 1 1 1 1 1 504.3422 *504.3479* 504.3479@1.1020558 1 4291 1 1 6775 3295 1 1 1 38670 134661 1 5336 1 1 1 1 60857 1 1 6823 1 1 78094 1 11237 1 1 162178 1 3390 3517 1 155634 1 1 1 9820 1 1 9781 67914 22588 4695 1 1 3890 1 1 1 7207 1 90877 87595 1 6243 1 9377 1 4966 1 1 5025 5881 206966 210796 1 147655 6603 1 6847 1 1 67843 1 1 48066 115293 71356 1 6052 69782 1 7851 1 1 3594 1 4747 27001 504.3479 *504.3601* 504.3601@1.0882261 6067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7074 6001 1 1 1 1 14063 1 1 1 1 1 1 1 1 1 1 1 1 1 8340 1 1 1 1 1 7017 1 1 1 1 1 1 77115 1 1 1 1 13195 1 1 1 1 121267 1 1 1 1 1 1 1 1 1 1 7293 1 1 1 1 1 1 1 1 1 1 1 95544 1 1 1 1 1 504.3601 *504.365* 504.365@1.080208 1 1 1 1 1 1 1 44645 1 1 1 1 1 1 1 1 1 1 1 1 1 4023 5093 1 1 1 1 1 1 1 1 7688 1 1 2053 2712 1 1 1 1 1 1 1 1 1 7855 1 5815 1 1 1 1 1 1 7418 1 1 5998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76491 1 1 1 1 1 1 1 1 1 1 504.365 *504.4127* C30 H61 Cl O S 23867 25937 20482 20171 40378 43157 44201 42269 41363 39489 39553 41363 24118 24897 34089 27594 23991 26150 27905 27922 38128 37224 33344 28911 27646 28774 1 1 32032 1 41302 40546 1 1 19378 18451 62590 64763 44854 47861 27501 27931 1 21631 38249 36515 55429 55746 24275 1 73361 74521 17510 21390 1 1 1 1 49514 53419 1 1 16936 15943 1 1 26791 1 37468 31811 1 16580 22844 1 26750 27179 34244 1 30025 29861 23211 22180 1 1 43771 42254 63015 48873 1 20471 504.4127 *504.9666* 504.9666@1.0451895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.9666 *505.0803* 505.0803@0.7905235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3608 3423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3699 4029 1 1 505.0803 *505.2297* C23 H43 N3 O S4 1 1629 2869 2803 1445 1370 1 1 3059 3897 1 1 2689 2961 3169 2922 1872 1803 1538 1604 2794 3342 1 1 3575 2790 3263 3152 1 1 2238 2477 1 1 2496 2220 4357 5042 2467 3222 3089 2562 3284 3511 1332 1 2740 2792 3534 2532 3815 3120 5709 5401 3815 3866 1706 3206 1370 2122 3309 3297 2761 2507 3183 2086 2591 2717 2572 3036 4175 4225 1 1 1279 1744 3319 3089 1 1 4508 5701 3791 3724 4281 4213 5377 5492 2211 2201 505.2297 *505.2719* 505.2719@1.0459951 1 1 1 1 1 4507 1 1 1 1 1 1 1 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2897 1 1 1 1 4298 1 1 1 1 1 4778 1 5332 1 1 1 1 1 1 1 1 1 1 4516 1 1 3764 3110 1 6009 6811 6548 6511 5227 1 3772 1 1 2924 4419 1 1 5330 1 1 1 1 4183 3452 4937 1 1 1 1 1 505.2719 *505.2815* 505.2815@1.0424203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4673 5894 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.2815 *505.3148* C22 H44 Cl N7 O4 3489 3730 3712 3660 1 1 5802 6428 4259 4580 3928 3812 3293 3432 5939 6096 1 1 4656 4942 2728 3237 4341 4387 4467 4360 3687 4034 4227 4743 4891 4709 4765 4546 1 1 4186 4507 3114 3484 7720 8004 1 1 2812 2960 4928 5492 4368 3943 5660 5795 2565 3169 5339 5386 8403 8062 6324 5970 6646 6519 3356 3387 2306 2647 3709 3712 7001 7093 5467 5187 3440 3240 2798 2703 3536 4088 3633 3377 4989 4717 3184 3536 9231 6411 7349 6452 4523 4217 505.3148 *505.3416* 505.3416@1.1600329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.3416 *505.3648* 505.3648@1.0732473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.3648 *505.3766* 505.3766@1.0759525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.3766 *506.0293* 506.0293@0.80605125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6720 5565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5385 4772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6632 6226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.0293 *506.1776* 506.1776@1.1726434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 1 1 1 1 1 1 1 1 506.1776 *506.2125* 506.2125@3.5769951 1 1 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6395 1 1 1 1 1 1 1 1 4351 1 1 1 1 1 1 1 4849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3716 1 1 1 1 506.2125 *506.2128* C23 H42 N2 O2 S4 50830 50784 1 1 1 1 12434 11718 5632 8009 11070 9963 1 1 9501 4263 7429 1 1 1 1 1 27605 29605 1 1 9021 18611 1 1 1 1 9334 9498 1 1 1 1 1 1 1 1 1 1 14715 3883 1 1 15390 15212 5982 6856 1 1 4316 9895 54999 54285 21861 22921 1 1 4648 11878 1 1 18502 17883 1 1 1 1 1 1 15646 14291 1 1 1 1 11653 13043 7192 8194 9291 10899 1 1 1 1 506.2128 *506.222* 506.222@1.1984009 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2663 3717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4620 4724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.222 *506.2619* 506.2619@2.2739165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.2619 *506.2908* C23 H44 Cl2 N6 O2 1 1 1 1 36292 33219 1 1 23110 22263 41265 42015 1 29801 1 1 19938 19996 38969 40119 30692 27967 34705 37256 34201 36002 36815 40194 61098 65403 40737 41587 39581 1 13138 12601 33435 34857 78849 26681 1 37141 24160 23781 81883 83217 120773 117997 34373 33250 58200 56460 24457 25877 28788 1 59710 58967 37666 35272 22325 22129 20412 20960 38880 39007 141902 48764 42393 44053 96119 100155 25774 26498 84229 40385 124326 48523 43454 42519 48526 46875 24308 28797 33889 94983 35291 52037 23979 23679 506.2908 *506.3452* 506.3452@1.2069836 2813 3310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4990 5085 506.3452 *506.357* C31 H51 Cl O3 18907 21238 12074 12921 39097 41947 17088 1 30339 1 1 1 11334 14188 27452 1 1 1 20653 24077 23254 5984 39942 1 39511 1 32246 1 1 1 35771 36146 50693 1 7940 11949 31608 33393 34981 32022 40951 1 1 14998 40281 41478 22763 124875 35967 36441 4226 1 1 1 25247 5443 6679 3535 4160 32269 43588 1 18710 2685 1 1 55511 3269 37536 36410 25834 28359 26425 1 23617 23195 1 1 1 1 25564 1 38465 39846 2524 1 1 1 20571 1 506.357 *506.3586* 506.3586@1.1022128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37133 1 1 1 1 32178 36062 28765 27552 1 1 1 1 11738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.3586 *506.3665* 506.3665@1.0903608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52191 49277 1 1 506.3665 *506.4249* 506.4249@1.0417929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14575 1 1 506.4249 *506.9725* 506.9725@1.0436373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2523 1 1 1 1 1 1 1 1 1 1 506.9725 *507.0378* 507.0378@1.1710966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 2668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.0378 *507.0638* 507.0638@2.8503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 2353 1 1 2198 2325 1 1 1 1 3121 3031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 2422 1 1 1 1 1 1 1 1 2478 2711 1 1 1 1 2662 2792 1 1 507.0638 *507.0958* 507.0958@0.8532717 44442 45797 1 1 1 1 90418 91207 1 1 1 1 60357 62092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59405 60007 1 1 1 1 1 1 1 1 1 1 39860 40105 1 1 1 1 1 1 11412 11312 1 1 1 1 1 1 1 1 1 1 1 1 17338 18322 1 1 1 1 85162 86348 1 1 507.0958 *507.1283* 507.1283@3.6302347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5446 5494 1 1 1 1 507.1283 *507.1782* 507.1782@2.0506494 3696 3341 1 1 1 1 1 1 2853 3221 1 1 1 2138 6533 6337 1 1 1 1 1 1 1 1 4360 4274 1 1 1 1 1 1 1 1 1 1 3327 3376 1 1 5188 5095 1 1 1 1 1 1 2814 2678 1 1 2891 3126 1 2376 3210 3061 1 1 3036 1 1 1874 1 1 1 1 3172 3334 1 1 1 1 1 2556 1 1 1 1 1 2642 1 1 1 1 2646 2750 1 1 507.1782 *507.1924* 507.1924@0.80232143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3897 4547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.1924 *507.2932* 507.2932@1.0434039 1 1 1 1 1 1 1 4529 1 1 1 1 3427 1 4548 4103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5448 1 1 1 1 1 1 4567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.2932 *507.3294* 507.3294@6.454488 1 1 1 1 1 1 1 2382 1 1 1 1 1 1 2882 2584 1 1 3769 3873 1 1 1 1 1 1 1 1 1 1 4174 4197 1 1 1 1 1 1 1 1 3099 3393 1 1 1 1 1 2507 1 1 2863 1 1 1 1 1 4856 5072 3398 3681 1 1 1 1 1 1 1 1 3234 3626 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5016 5089 1 1 507.3294 *507.3609* 507.3609@1.1192898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 6216 1 1 1 1 1 1 1 1 1 1 1 1 7809 1 1 1 1 1 1 1 1 3102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.3609 *507.4294* 507.4294@1.0408239 1 1 1 1 2940 1 1 1 1 2746 1 1 1 1 1 2370 1 1 2313 2031 1 1 1 1 1 1 1 1 2118 1 1 1 1 2244 1 1 1 1 2692 1 1942 1 1 1 1 3052 1 1 1 1 1 1 1 1 1980 2184 2286 1 3444 1 1 1 1 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 2302 3738 1 1 1 507.4294 *507.8065* 507.8065@1.0344222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56711 55529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.8065 *508.0331* 508.0331@0.69879127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.0331 *508.0601* 508.0601@2.838782 1 1 1 1 4364 5125 6192 1 1 1 1 1 1 1 10646 9658 7887 7000 8856 8866 1 1 1 1 12161 12227 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 8149 7119 1 1 1 1 1 4546 1 1 1 1 1 1 1 1 5575 1 8930 8284 1 1 1 1 1 1 1 5752 9206 9721 1 6612 1 1 10556 9564 1 1 508.0601 *508.1756* C25 H32 O9 S 8250 8800 1 3323 4286 3918 1 1 6863 7138 5509 5324 5943 5592 17344 16613 4296 4088 6075 5741 3790 4056 4688 4794 10484 10527 2891 2816 5085 5146 3332 3938 1 1 1 1 8390 8393 4978 4864 14936 13104 1 1 1 1 5072 4737 7127 6848 5500 5620 7803 7587 5488 5602 7739 8240 4968 5029 7787 7496 5557 5719 1 1 1 2139 8070 8476 4928 4719 1 1 6029 6505 5519 5218 3678 3586 5876 5715 1 1 1 1 7170 6625 3580 1 508.1756 *508.2277* 508.2277@1.4161667 1 1 1 1 1 1 1 1 1 1 18625 10080 1 1 1 1 1 1 1 1 1 1 25785 22556 4821 1 8425 6767 20849 22319 1 1 8992 6991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11117 1 1 1 1 1 1 1 10975 24402 26365 20859 1 1 8241 1 1 1 15173 27495 1 1 1 1 1 1 1 1 1 1 1 1 9460 7808 1 6171 1 1 1 1 1 1 508.2277 *508.2281* 508.2281@1.2591119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.2281 *508.2282* C22 H32 N6 O8 - 3.3577151 342558 342697 18176 20484 54439 56392 111572 111708 112903 112579 243167 258168 78563 79337 92825 92018 51642 52557 16980 15289 11260 8277 430382 445006 75950 77924 171507 168306 103629 102772 98436 99524 176071 178690 104623 101160 22753 25966 35144 43789 1 1 25121 25383 57595 57999 39230 42903 299960 293564 107055 104572 20746 21502 79408 66998 468205 470919 247543 251395 13058 5914 220696 219575 33425 33178 209890 203774 8986 3800 22426 34122 76025 78230 60094 65492 85760 89935 8331 8506 151342 146071 76305 76806 107473 106657 8396 1 90627 83045 508.2282 *508.2284* 508.2284@3.4532907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8408 1 1 1 1 1 3756 1 1 1 1 1 1 1 1 11457 1 1 1 4846 5252 1 1 1 1 1 1 3632 1 1 1 1 1 1 1 508.2284 *508.229* C22 H32 N6 O8 114240 119777 6793 6150 10402 11297 50038 45889 42884 42872 101864 101903 20750 20267 7029 6129 20954 21469 8630 8514 8615 9472 139173 139853 25952 30345 70486 70907 174313 176897 11632 15110 90337 73591 18024 17706 13650 12319 10431 11480 1 1 8583 7851 20246 18677 11469 10326 49133 49092 42085 40216 6212 5967 14174 15112 103871 105375 198960 202065 3492 3716 59952 58387 15794 16671 176084 179886 4451 4180 3402 4044 21557 22819 20741 20474 21477 22021 4080 5377 51040 50623 42570 43272 13094 13412 2058 1 12200 13022 508.229 *508.2325* 508.2325@1.8787771 1 1 1 1 1 2844 1 1 1 1 7381 1 1 1 1 1 1 1 1 1 1 1 6331 8059 1 1 1 1 6082 5084 1 1 4878 1 1 1 6000 6321 1 1 1 6979 1 1 1 1 6311 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8156 9124 1 1 7023 8659 1 1 1 1 1 1 1 1 1 6699 1 1 3994 4457 1 1 1 1 508.2325 *508.233* C28 H44 S4 7028 6854 1 1 16797 9493 17289 17867 3112 2921 4817 13646 1 1 6058 6661 1 1 8108 5874 1 1 16805 16135 1 1 5983 1 9218 9581 3297 10829 19409 22754 1 1 11584 4966 1 1 11455 13944 3048 1 5034 1 4137 5837 1 1 6531 9618 1 1 1 1 3807 1 4586 6493 1 1 1 1 7959 9598 11836 11417 1 1 12707 10217 1 1 1 1 1 1 1 1 14295 10414 1 1 17879 10975 1 2632 1 1 508.233 *508.2435* 508.2435@1.0108824 1 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.2435 *508.29* 508.29@1.0432341 1 11766 73536 61585 1 1 1 15165 1 1 1 1 13357 1 18278 16969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145789 1 1 1 1 1 1 14713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.29 *508.3727* C25 H52 N2 O8 34555 32591 25633 25198 40660 2523 30792 1 55060 55764 1 80448 26521 26414 50520 15722 1 1 40969 41527 22480 42733 73061 33911 66890 64746 54347 1 1 114314 7556 6304 119173 1 19331 3385 54192 54384 66651 63495 48604 36414 20958 28016 85060 19808 30988 1 72047 70261 27951 37752 1 1 63212 61012 21558 20851 14988 52028 84096 1 30155 31393 5912 1 109432 1 71277 67859 46729 46484 45790 1 43207 41186 67282 1 5086 1 46815 1 76425 77466 1 57015 1 1 38056 39276 508.3727 *508.3731* 508.3731@1.0946627 1 1 1 1 34428 39800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20066 1 1 1 1 1 1 1 1 1 51114 57985 1 1 1 16589 1 1 1 1 23326 1 1 1 1 61751 1 1 1 1 46239 1 1 1 1 1 45655 69357 38454 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3731 *508.3732* 508.3732@1.1213638 1 1 1 1 1 34626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3732 *508.4062* 508.4062@1.031826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 5263 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.4062 *508.415* 508.415@1.0295804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 508.415 *508.4327* 508.4327@1.0426894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49608 3940 1 1 508.4327 *509.0417* 509.0417@0.80856246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12766 12705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12433 12187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.0417 *509.0539* 509.0539@2.8356318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8426 9178 1 1 1 1 509.0539 *509.1381* 509.1381@1.2061434 1 1 1 1 2320 1885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.1381 *509.228* 509.228@1.9576896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 1 1 1 1 509.228 *509.233* 509.233@3.3877268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7069 509.233 *509.2979* 509.2979@1.038078 1 1 1 1 1 1 3251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.2979 *509.3458* 509.3458@6.4233794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2620 3287 3253 1 1 509.3458 *509.3758* 509.3758@1.1220208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.3758 *509.3762* 509.3762@1.1011904 1 1 1 1 1 1 1 8296 1 1 1 1 1 1 1 11504 7724 1 1 1 1 1 1 17374 1 1 1 1 27442 1 1 1 1 28352 1 1 1 1 1 1 1 18265 6993 1 1 1 5043 1 1 1 1 9883 14507 15239 1 1 23781 1 1 1 1 19863 1 1 1 1 1 27225 1 1 1 1 1 10994 1 1 1 1 12118 13564 1 1 1 1 14566 1 1 1394 1 1 509.3762 *510.0445* 510.0445@3.2598858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4687 9689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.0445 *510.0679* 510.0679@1.1875207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.0679 *510.1251* 510.1251@1.1007687 1 1 1 7206 1 1 13691 13195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.1251 *510.1334* 510.1334@3.6247365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9154 4820 1 1 1 1 510.1334 *510.1341* 510.1341@3.7052076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9906 15560 1 1 1 1 510.1341 *510.2119* C20 H34 N10 S3 8566 7857 6165 6527 8002 7557 6978 7007 7455 7626 1 8400 7197 6836 1 5160 1 1 8048 8169 8082 7312 1 1 5681 6109 9935 8713 1 1 8986 7594 9996 9009 8386 8321 9608 10452 8851 9117 9226 9765 7758 8639 6864 1 6375 6845 6997 6940 6082 1 6759 5923 6436 6575 7578 1 1 7049 6000 6219 6875 6239 7375 6642 8671 1 6810 6964 9370 9335 5179 7156 6289 6464 6841 6525 6654 7050 9991 9441 7190 7186 1 7632 5668 6400 6781 7529 510.2119 *510.235* 510.235@3.3763456 1 1 1 1 1 1 1 1 1 1 7917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.235 *510.2451* 510.2451@3.9061065 1 1 1 1 6433 6197 1 1 6125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6606 6039 1 1 1 1 510.2451 *510.2524* 510.2524@1.0332962 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.2524 *510.2655* 510.2655@0.9062535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21717 21770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4666 5032 1 1 4629 4669 1 1 1 1 3981 3987 1 1 1 1 1 1 1 1 510.2655 *510.2733* 510.2733@0.92270863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.2733 *510.284* 510.284@1.0242271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.284 *510.2951* 510.2951@0.9624218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3223 1 1 1 1 1 1 1 1 1 1 1 1 510.2951 *510.3108* 510.3108@1.1965333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2111 1 1 1 1 1 1 1 1 1 1 8802 12368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.3108 *510.328* 510.328@2.0964386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.328 *510.3569* 510.3569@1.1513886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.3569 *510.3695* 510.3695@1.1930581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.3695 *510.3861* 510.3861@1.1409225 1 1 1 1 1 1 1 1 5537 6490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4877 1 1 1 510.3861 *510.3889* C25 H55 Cl N4 O4 46097 43867 67399 32231 116731 116071 41435 41882 90623 87868 104088 103104 38974 38807 74813 72026 55660 52106 61146 63029 54658 54746 89813 91933 79095 80723 81655 84276 144120 145212 81421 86851 134781 136088 25490 26524 86043 86764 83216 82166 104615 106780 36412 39360 115116 115898 57090 1 92073 91214 91756 99405 81445 80774 79260 77388 137698 142034 80488 81559 116751 116462 38455 36822 172113 171990 135760 134774 110700 110064 62354 63049 62744 62694 62334 61721 104116 105727 75928 77966 72027 72504 106766 108593 69882 67768 51721 57092 62225 63451 510.3889 *511.2353* 511.2353@0.7020784 4296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.2353 *511.2582* C30 H33 N5 O3 1 1 1 1 1 1 1 1 1 4509 1 1 1 1 3826 4446 7499 5182 1 1 1 1 8863 7944 4576 1 1 1 5590 3217 5050 1 9221 11101 1 1 1 1 4138 1 1 1 1 1 1 1 1 1 1 1 6338 5238 4432 3645 1 1 1 1 5259 4710 8692 1 1 5077 1 1 1 1 1 1 1 3996 1 1 5732 3698 1 1 4974 5383 5957 4895 1 1 5754 1 1 1 6426 6954 511.2582 *511.2586* 511.2586@2.3724732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151575 1 1 1 85464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.2586 *511.2965* 511.2965@1.0373516 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.2965 *512.2278* 512.2278@1.0401244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 3517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.2278 *512.2463* 512.2463@1.0578182 1 1 1 1 1 1 3907 3423 1 1 1 1 1 3131 1 1 1 1 1 1 2417 2002 1 29632 1 41457 1 1 1 4471 2756 2167 1 1 1 1 1 1 1 1 1 1 2919 1 1 32072 1 1 1 1 1 1 1 30136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.2463 *512.2512* 512.2512@1.0480903 1 1 1 1 33144 31514 1 1 1 1 2797 15819 1 1 1 1 1 1 1 1 1 1 32936 1 38404 1 1 30317 1 1 1 1 1 1 1 1 1 2498 25996 25131 1 1 1 1 36909 1 26782 31596 1 2581 1 1 30466 1 1 1 1 1 2968 3668 1 1 1 1 6864 36874 45499 44126 30381 30641 39361 38684 2986 22080 25408 21817 5124 4596 1 29209 30597 33750 23880 23453 35651 38900 1 1 1 1 512.2512 *512.2599* 512.2599@3.58942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.2599 *512.2601* 512.2601@1.0455738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24509 1 2361 2050 1 1 21040 1 1 5884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3086 1 1 1 1 1 1 1 1 1 1 1 512.2601 *512.2606* 512.2606@3.6322646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9896 5686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.2606 *512.262* 512.262@2.342 1 1 1 1 1 1 1 11665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.262 *512.2667* 512.2667@1.0436279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.2667 *512.278* 512.278@0.94684684 1 1 1 1 1 3328 1 1 4824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30624 26037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.278 *512.2783* 512.2783@0.9227665 1 1 1 1 1 1 1 1 1 4772 1 1 1 1 1 1 1 1 4104 3725 1 1 5843 1 1 1 1 1 1 3258 1 1 10251 17196 5021 4835 1 1 1 1 5451 6117 1 1 1 1 1 1 1 1 4612 5035 1 1 1 1 1 1 1 1 4637 3367 7395 7926 17362 18402 6344 8036 1 1 18072 19415 1 1 5941 6162 1 1 3887 3958 1 1 5916 6179 1 1 1 1 10561 9862 512.2783 *512.2962* 512.2962@5.2490516 1 1 1 1 1 1 5351 4810 1 1 1 1 1 1 1 1 1 1 4139 4657 1 1 1 1 1 1 1 1 1 1 1 1 3752 3649 1 1 1 1 1 1 1 1 1 1 1 1 6357 6362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.2962 *512.3318* 512.3318@1.5699909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21896 20385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24033 17223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.3318 *512.3377* 512.3377@1.0195088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.3377 *512.3485* 512.3485@1.0125227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11793 11035 1 1 1 1 1 2090 1 1 6650 5305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.3485 *512.3802* 512.3802@1.1754738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.3802 *512.4027* 512.4027@1.1232871 1 1 1 1 17969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7351 9990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.4027 *512.4051* C34 H56 O S 66707 67530 1 37902 172407 192685 77287 73292 234428 234259 205222 205549 50272 52985 210243 207765 143555 141915 71294 80516 85620 84654 161813 163901 143551 144447 102075 100713 226114 226789 248735 258761 369748 362413 50777 51051 129459 131699 112313 113925 189841 191270 67937 68978 326753 330502 105268 104993 122231 117223 140628 136912 105192 104582 133194 131710 381373 409950 125477 128628 121117 123870 59904 59842 159844 158861 295683 299107 240491 244247 73363 73607 104451 102287 56767 60783 232388 233145 177907 184126 120290 113722 143491 148653 87405 88721 129428 126810 134521 138279 512.4051 *513.2021* 513.2021@1.989739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33112 29666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.2021 *513.2597* 513.2597@2.42915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4942 3752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.2597 *513.2682* 513.2682@2.4807317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.2682 *513.2724* 513.2724@3.0526896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.2724 *513.2731* 513.2731@2.8468115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16204 1 1 1 1 1 1 22660 1 24107 1 1 1 1 1 6171 1 1 1 1 1 1 1 1 39714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19860 17502 1 1 1 1 513.2731 *513.2733* Sulfolithocholylglycine 6630 6797 1 1 10452 10814 5553 4844 35019 43182 1 1 1 1 15500 14120 17300 15401 5350 17249 1 1 15526 6767 19720 30939 8661 9798 1 1 3004 1 32685 34399 1 3848 6853 6517 12752 8827 1 8027 7345 4762 1 5558 4429 1 1 1 12907 14859 7046 6961 13729 1 1 1 5988 7292 1 1 12864 10639 7379 6982 1 1 1 1 2674 1 1 1 16964 16470 1 6624 3719 5729 8755 7274 1 1 3799 4904 2678 1 7143 1 HMDB02639 C11301 513.2733 *513.2733* Sulfolithocholylglycine - 2.94846 340015 342866 37404 38866 123503 129086 179023 176571 431984 431555 31473 31987 30031 30001 188721 173250 251546 246102 229445 218358 32263 33677 434021 445766 238392 233283 131331 133829 9284 7265 272880 285639 353986 360911 82532 81042 85373 87326 341334 290716 31334 23974 189228 195503 99655 103095 10947 17091 84375 82868 161118 163179 84223 84072 10249 34216 36068 36762 110717 114742 275049 278297 86769 85846 62224 61550 56395 56433 27093 25144 349675 342851 174738 180729 366132 364180 68436 66202 73547 78321 190272 190997 27495 29659 189185 186749 26008 25847 243609 236202 HMDB02639 C11301 513.2733 *513.2738* 513.2738@2.5303364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 1 1 1 1 1 1 1 7447 7403 25248 25593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11260 1 1 1 11821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.2738 *513.3044* C25 H43 N3 O8 12957 13003 16431 16073 22532 22127 17587 16453 10040 9726 9783 9944 17627 16978 18614 17471 16525 16123 15679 15526 27172 26349 16926 15969 17250 17727 16280 16373 15352 15615 20026 19899 25605 26042 16039 16221 18839 19296 18459 18564 22428 21633 21446 21367 9811 9925 24477 24593 18067 17649 13630 13989 11327 11173 13438 13346 8758 8842 16956 17661 12128 12057 5674 5709 16106 16144 15476 15847 15370 14466 18271 16770 9303 9193 7716 8303 11217 11811 11951 12238 20976 21203 10752 10753 29188 27906 17338 18583 12895 12746 513.3044 *513.3566* 513.3566@1.0523103 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3566 *514.0301* 514.0301@0.88477486 2695 1 1 1 1 1 8972 9234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11300 11146 1 1 514.0301 *514.2077* 514.2077@1.960129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2077 *514.2303* 514.2303@1.0645174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53956 47118 1 1 1 1 1 1 1 1 1 1 1 1 514.2303 *514.2406* 514.2406@1.0580066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18685 21164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2406 *514.2581* 514.2581@3.2303104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2581 *514.2598* 3beta-ACETOXYDEOXYANGOLENSIC ACID, METHYL ESTER 19806 18570 19638 44662 1 1 47154 44890 31628 1 56735 1 44642 47273 40769 39469 21893 1 44716 44784 43199 40692 1 1 1 1 1 1 62163 56419 55786 31669 1 1 18210 19953 1 36341 1 1 47147 1 36523 36886 1 1 1 1 2548 1 1 1 1 1 1 37269 62285 68539 1 1 1 35380 36159 1 34446 1 1 1 1 1 1 1 8018 1 1 1 1 1 47229 1 1 1 1 1 1 1 1 31304 35323 35106 514.2598 *514.2598* 514.2598@3.213781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8650 8533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16486 16096 1 1 1 1 1 1 1 1 1 1 1 1 8146 3167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2598 *514.2653* 514.2653@0.7051357 9606 8748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2653 *514.2691* 514.2691@1.041651 1 1 1 1 1 1 1 1 1 14781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59222 47295 1 1 1 1 1 1 1 44399 1 1 1 1 1 1 1 1 61386 59550 1 1 1 1 1 1 1 48626 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 3273 1 1 1 1 1 1 1 1 1 29956 1 1 1 514.2691 *514.2756* 514.2756@2.9274657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 514.2756 *514.2759* 514.2759@1.0444229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2759 *514.2897* 514.2897@1.0003946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11151 13229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2897 *514.3141* 514.3141@0.9859874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32736 34067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.3141 *514.3652* 514.3652@1.1454242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.3652 *514.3732* 514.3732@1.1436367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 2363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.3732 *514.3826* 514.3826@1.1433876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2722 2296 1 1 1 2012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.3826 *514.4089* 514.4089@1.1044806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4119 1 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.4089 *514.4183* 514.4183@1.0987988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113127 106622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.4183 *515.1758* 515.1758@2.0074801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.1758 *515.2885* 515.2885@4.0936966 1 1 1 1 6476 6260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.2885 *515.2898* 515.2898@4.2896404 1 1 1 1 10122 10533 3493 1 1 1 1 1 1 1 1 1 30039 29979 1 1 1 1 1 1 1 1 1 1 1 1 10451 10579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14045 14568 1 1 1 1 1 1 1 1 8578 8769 1 1 1 1 1 1 1 1 1 1 9113 9035 1 1 1 1 1 1 1 1 1 3381 1 1 1 1 1 1 6582 6602 515.2898 *515.3258* 515.3258@4.5670657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.3258 *515.3981* 515.3981@1.1142329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.3981 *515.4104* 515.4104@1.0807095 1 1 1 1 1 1 1 3074 1 1 1 1 2347 1 1 1 1 1 1 1 1 3398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5186 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 4774 1 1 1 1 1 1 1 1 515.4104 *516.1118* 516.1118@1.4067663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1118 *516.168* 516.168@1.0938272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4081 4984 1 1 1 1 1 1 1 1 516.168 *516.2463* 516.2463@3.3042047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93298 93977 1 1 1 1 1 1 1 1 1 1 1 1 82998 80424 127070 131702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17173 17640 67801 62862 1 1 1 1 1 1 1 1 1 1 15875 17977 1 1 87827 86046 5409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2463 *516.2524* 516.2524@0.7022221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3282 1 1 3134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2524 *516.2628* 516.2628@1.0546999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71093 1 1 1 1 1 1 1 1 73543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2628 *516.2653* 516.2653@1.0492103 1 1 1 1 1 1 1 1 1 1 1 20161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103764 102114 1 1 1 1 1 1 1 1 63523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91332 123791 1 1 1 1 1 1 1 1 1 1 1 1 516.2653 *516.2759* 516.2759@6.315174 1 1 1 1 1 1 1 1 1 1 1 1 8578 8821 1 1 3014 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2759 *516.2903* 516.2903@5.01801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9185 8182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2903 *516.3123* 516.3123@1.1509271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3970 1 1 1 1 1 3947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.3123 *516.3225* 516.3225@1.1515208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3469 1 1 1 1 1 1 1 15299 18663 1 5401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.3225 *516.3411* 516.3411@1.1325377 1 1 1 1 1 1 1 1 1 2669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2782 1 1 1 1 1 1 1 1 3193 4854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.3411 *516.3743* 516.3743@1.1073908 1 5366 1 1 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3212 1 1 1 5350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2983 1 1 1 1 1 1 516.3743 *516.3784* (5E,10E)-19-(3-carboxylpropyl)vitamin D3 / (5E,10E)-19-(3-carboxylpropyl)cholecalciferol 25551 19099 10840 10955 34556 38280 20077 19081 28112 27534 31658 30664 16178 15446 22174 22213 14189 14007 19118 19574 19010 21320 43752 313828 32577 37737 30951 31728 420611 54397 37190 36621 25171 24599 12994 13155 29677 31072 321564 55773 34066 32402 15930 16214 419007 407165 27967 8722 23365 22784 505992 499587 265701 33284 27985 28947 426016 416163 29751 29034 19378 20650 15217 15090 82373 73333 38615 39486 107603 1 28033 28380 25028 3823 24600 24739 33267 33124 31972 32860 31848 30595 27586 25384 3828 349966 265712 25127 19746 19760 516.3784 *516.3827* 516.3827@1.0630884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10451 1 21414 1 1 1 1 1 1 1 1 1 1 1 1 27009 141744 1 1 1 1 1 1 11250 1 1 1 1 20274 1 1 1 1 1 1 1 1 1 1 348102 1 1 1 1 1 516.3827 *516.3899* 516.3899@1.0467234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.3899 *516.9537* 516.9537@0.77688164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5260 5676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.9537 *517.0156* 517.0156@3.6237369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14182 12120 1 1 1 1 517.0156 *517.0159* 517.0159@3.7007093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19877 19342 1 1 1 1 517.0159 *517.2552* 517.2552@1.041034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3635 4727 1 1 1 1 1 1 1 1 1 517.2552 *517.2635* 517.2635@1.0470583 4658 4533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3286 4519 1 1 4846 1 1 1 1 1 1 1 1 3503 1 3856 2666 1 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 1 1 1 1 1 3036 1 1 1 1 4525 1 1 1 1 1 1 1 1 1 3379 1 1 1 1 1 1 3774 3327 4909 1 1 1 1 1 517.2635 *517.2675* 517.2675@0.71854204 1 4530 1 1 1 1 1 1 1 1 1 1 1 1 6819 6137 1 1 1 1 1 1 1 1 6741 7043 14890 14562 13435 13807 1 1 1 1 1 1 3858 1 1 1 4547 4519 1 1 1 1 1 1 1 1 7543 7287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.2675 *517.2711* 517.2711@1.0440874 1 1 1 1 1 3005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.2711 *517.2981* 517.2981@4.8043137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4337 4138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 517.2981 *517.2987* 517.2987@4.6590962 1 1 1 1 1 1 5326 5487 1 1 1 1 1 1 1 1 6921 6695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 4499 1 1 1 1 1 1 1 1 1 1 4463 4791 1 1 1 1 1 1 3903 1 1 1 1 1 1 1 1 1 1 1 4392 4316 1 1 1 1 1 1 5341 5409 517.2987 *517.8239* C16 H Cl3 N2 O8 S2 2168 2125 1775 1 2339 2304 2272 1 2417 2000 2401 2445 2017 1 2313 1 2500 2247 3118 3038 2363 2297 2548 1 2946 2720 2400 2247 2090 2231 2092 2413 2040 2832 2458 2251 2097 2114 2478 2413 2195 1976 1910 2097 2259 2693 1 2322 2556 1 2279 1 2391 2982 1 1694 2588 2719 2273 1 2899 2456 2651 2655 2594 2023 2553 2908 2307 2526 3200 3105 1927 2471 2450 1 2421 2871 2617 3076 2549 2580 2313 2510 2528 3068 2503 2742 2389 1 517.8239 *518.0616* 518.0616@2.0338008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49973 51922 1 1 1 1 1 1 1 1 1 1 1 1 518.0616 *518.0721* 518.0721@2.0616739 1 1 1 1 1 1 1 1 1 1 1 1 1 5314 8453 8574 1 1 1 1 1 1 1 1 7412 7767 1 1 1 1 1 1 1 1 1 1 3899 1 1 1 6500 1 1 1 1 1 1 1 5302 1 6376 6254 1 6246 4390 1 1 1 1 1 1 1 5265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.0721 *518.1116* 518.1116@0.99073064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1116 *518.122* 518.122@1.066478 1 1 3159 3258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 5431 5217 3674 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 1 2627 1 1 1 518.122 *518.2621* Trp Lys Trp - 1.0524514 17946 46896 23581 1 82168 82544 1 1 1 14911 1 75104 1 1 1 1 1 48616 1 1 1 1 76335 77033 85384 26942 76657 73797 1 1 1 1 1 1 1 1 79844 1 63134 62423 1 1 1 1 112405 113542 78698 79731 1 1 1 1 72535 70113 70535 1 1 1 1 1 64849 1 1 1 23299 80536 168636 168102 99962 102765 68382 69738 1 72614 67136 69108 1 1 1 88781 81115 86490 84023 83571 75180 74517 1 1 1 1 518.2621 *518.2659* Trp Lys Trp 21698 22026 1 1 1 1 6224 6075 1 1 6512 6048 7892 8535 35723 34668 1 1 1 1 1 1 10027 10442 35583 36027 82364 83827 74737 74172 1 1 1 1 1 1 19062 19244 1 1 22189 23284 1 1 1 1 1 1 1 1 39030 37111 1 1 13801 13527 1 1 5862 5944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7313 7274 1 1 1 1 1 1 1 1 518.2659 *518.2702* 518.2702@1.0447743 1 1 3304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.2702 *518.2971* 518.2971@1.0209808 1 2745 1 1 1 1 1 1 1 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 3275 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.2971 *518.3063* 518.3063@1.0164824 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1832 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.3063 *518.3226* 518.3226@1.1403209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 7591 7620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.3226 *518.354* 518.354@1.1866584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 12000 13498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.354 *518.3753* 518.3753@1.1513845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.3753 *518.3836* 518.3836@1.1398157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.3836 *518.3926* 518.3926@1.1135213 1 3303 1 1 8308 14756 1 1 6252 1 1 5236 1 1 1 51266 1 1 1 1 7825 1 1 1 1 295549 1 1 1 9855 1 1 11979 10762 1 1 8016 8036 1 1 18602 1 1 8178 1 1 1 1 1 1 1 1 1 9135 9060 9145 1 1 6900 6629 1 1 1 5376 20527 10051 14586 376056 1 1 1 7608 1 1 10732 8587 11029 6417 1 1 6658 1 1 1 1 1 1 7906 1 1 518.3926 *518.3937* 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy 188352 184781 65004 64948 188674 161601 68994 79602 120495 106697 130462 125518 163200 70856 94683 50059 76938 54966 106821 110362 73978 82546 139346 1 307311 15267 125027 304884 1 353501 121474 126327 151540 150185 102451 109517 140591 140896 6034 353118 226395 235838 67432 59287 11007 14604 110451 112769 108122 106622 7920 1 1 112474 107977 109826 1 7012 113468 112007 182456 12615 71840 67440 627505 518922 329189 31391 7659 6212 233410 205167 92694 96356 97717 100946 134926 138442 126135 116063 224521 245807 133706 121016 1 6663 1 81766 160532 186185 518.3937 *519.1474* C24 H28 Cl3 N7 11141 8532 2817 1 4050 4458 2302 2256 14358 5823 3340 3544 1 4170 9562 5062 3081 1 8229 11839 2784 10718 8446 8974 3775 3607 7005 3514 4117 2985 32546 27066 4854 20960 25970 26577 26625 20887 28767 24452 23699 19957 21917 25567 22931 21393 17901 18309 25381 24002 24815 23250 28621 28386 30769 33217 36751 38465 33818 33534 14264 6301 1 1 4181 4211 4414 5560 23057 21706 23635 25086 21790 21779 16824 11615 21691 22582 34003 30707 28356 9526 20927 21656 31699 33197 53408 55609 28650 29299 519.1474 *519.1501* 519.1501@1.1052172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3319 1 1 1 1 1 1 1 1 1 519.1501 *519.1547* 519.1547@0.8338494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8991 8587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.1547 *519.166* 519.166@1.0293474 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.166 *519.2529* 519.2529@1.0777955 1 1 1 2854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.2529 *519.2605* 519.2605@1.0575235 1 1 1 1 1 1 6740 6833 5468 6079 7789 1 1 1 5458 7763 3106 1 1 1 1 1 1 1 1 1 1 3699 6335 1 1 1 1 1 2951 1 1 5460 1 1 1 7308 1 1 1 1 1 1 1 1 1 1 1 1 1 6219 1 1 1 1 1 5506 1 1 8145 1 4401 1 1 1 1 1 1 1 1 1 1 1 6149 1 1 1 1 1 1 1 4296 4139 1 1 519.2605 *519.2757* 519.2757@1.0456518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7039 1 6927 1 5935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8085 1 1 1 1 1 1 1 1 1 1 1 3466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.2757 *519.2822* 519.2822@1.0298774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.2822 *519.3971* 519.3971@1.1040182 1 1 1 1 1 1 1 1 1 3779 2964 3833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4701 1 1 1 1 1 5612 1 1 1 42151 1 1 1 1 1 1 31482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 1 1 1 1 1 1 519.3971 *520.082* 520.082@1.2025423 1 1 1 1 1 1 4760 4489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.082 *520.1322* 520.1322@1.1069906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4343 4181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.1322 *520.1899* 520.1899@3.8688374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14175 14639 1 1 1 1 1 1 1 1 520.1899 *520.1909* 520.1909@2.738236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37722 38318 1 1 1 1 1 1 1 1 520.1909 *520.2765* C25 H46 Cl2 N4 O S 62013 1 58370 57720 1 1 58828 59346 52187 50127 73009 1 49516 54685 67524 58954 36008 1 45580 47355 53874 50802 1 1 1 39795 1 1 115008 111541 65786 67635 70323 67080 30869 32880 1 59109 1 1 57482 60137 65376 62521 1 1 1 1 1 1 70053 66473 1 1 1 51103 84705 82371 1 57150 1 43285 44776 1 56983 1 1 1 1 1 1 1 1 1 1 1 1 1 59080 1 1 1 1 1 1 1 41725 43331 53525 52673 520.2765 *520.3568* 520.3568@1.1346383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.3568 *520.3714* 520.3714@1.1350806 1 1 1 1 1 1 1725 1 1 1 1 34790 1 1 1 1 1 1 1 1 1 1 29633 34171 2787 1 1 1 41421 1 2451 2737 31698 4705 1 1 1 1 4022 1 1 1 1 1 3475 52153 1 1 1 1 1 1 1 1 1 1 1 3815 1 1 1 5284 1 1 36577 47361 1 52268 1 1 1 2365 17866 1 1 1 1 1 1 1 1 1 1 1 12026 4927 1 1 1 14099 520.3714 *520.3875* 520.3875@1.1286829 1 1 1 1 1 1 1 1 1 1 1 1 1 2448 1 1 1 1 1 1 1 1 1 1 1 1 8912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 2302 8703 1 1 1 1 1 1 1 1 1 10485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.3875 *520.3998* 520.3998@1.1149783 1 1 1 1 1 5568 1 1 1 8414 1 1 1 1 1 1 1 1 8418 1 10222 9578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9188 7782 1 15896 1 1 1 1 1 1 7664 4421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7114 5087 1 1 1 1 8062 15354 8151 1 1 1 6269 12057 6494 9475 1 10808 1 1 1 7285 1 1 1 1 4114 1 520.3998 *520.4085* C27 H57 Cl N4 O3 8061 7290 61472 61925 164436 308883 74076 141000 127445 243807 260610 254944 1 114787 98808 170412 28619 65817 91216 96568 67948 140770 223517 1 1 1 200933 1 1 1 145036 150239 287620 129983 1 4379 146881 149359 1 1 1 1 59703 105646 1 1 100115 101851 196057 197783 19307 21068 1 170123 187509 187226 1 1 222604 223303 224927 195657 55101 103297 1 1 1 1 243767 232301 1 1 149608 79316 97756 162272 289135 285940 202344 205738 16326 1 191206 202272 1 1 12379 100754 1 1 520.4085 *521.1478* 521.1478@1.0944716 1 1 1 1 6387 6703 1 1 1 7881 5054 3232 5439 3536 1 5540 2486 1 1 1 6309 1 1 1 3214 3282 1 2864 3286 1 1 1 6353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9760 1 1 5251 5027 4722 5058 1 1 1 1 1 1 1 1 1 1 1 1 1 17246 1 1 1 1 1 1 1 1 521.1478 *521.1666* 521.1666@3.8378162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10213 10053 1 1 521.1666 *521.2753* 521.2753@1.0518866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10705 1 1 1 1 1 1 1 1 1 1 1 1 1 521.2753 *521.412* 521.412@1.0823579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9042 1 1 1 1 34221 5535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.412 *521.9161* C14 H6 N2 O16 S2 61768 62021 61755 62615 66550 65089 71267 70126 67985 68699 58679 58624 64813 64770 71761 69253 66868 67671 84985 84334 67510 68483 67232 66317 80221 79579 66416 66036 64854 65645 61165 62873 65449 65935 66356 66232 65413 65574 65534 64483 68550 69741 60472 60577 65017 66457 63593 64998 69709 67593 71411 71143 73675 74106 65146 64073 68236 68334 64537 63869 61110 60862 67059 68681 67815 68469 75850 76154 74575 73900 83655 84341 60813 61582 63277 66679 64069 66120 65309 67781 72033 72318 68862 69294 70557 71292 79734 79318 62995 63540 521.9161 *522.1226* 522.1226@4.1519375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7558 8039 1 1 1 1 1 1 1 1 522.1226 *522.1314* 522.1314@1.1014855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6651 6468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.1314 *522.1382* 522.1382@3.2336626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164549 154070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.1382 *522.1911* 522.1911@0.8635239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3397 3406 1 1 1 1 1 1 3076 3502 1 1 3273 3678 1 1 1 1 1 1 522.1911 *522.2481* C29 H46 S4 8505 6328 1 1 13145 12543 19016 16799 1 1 12224 15613 1 1 5745 1 1 1 8785 10262 1 1 12704 16298 1 1 1 6500 6963 7086 8623 8099 15970 14544 1 1 9038 15866 1 1 15887 11658 1 7808 6152 6790 7962 4222 1 1 8618 6997 5494 1 1 1 1 1 5194 1 1 1 1 1 5262 7509 8912 11912 1 1 17036 13146 1 1 1 1 1 1 1 1 2671 10759 1 1 15219 12482 1 5930 1 1 522.2481 *522.2484* 522.2484@1.8774725 1 1 1 1 4240 5660 1 2834 1 1 2533 1 1 1 1 1 1 1 1 1 1 1 10544 5697 1 1 1 1 1 1 1 1 9659 6497 1 1 5318 1 1 1 1 1 1 1 1 1 5337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4181 7410 1 1 1 7891 1 1 1 1 1 1 1 1 7243 5302 1 1 6372 3755 1 1 1 1 522.2484 *522.2572* 522.2572@2.9641633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10241 11028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.2572 *522.2627* 522.2627@0.7488629 5526 3746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4162 1 6804 6473 6239 4506 1 1 1 1 1 1 1 3449 1 1 8957 8983 1 1 1 1 1 1 1 1 7965 8249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.2627 *522.2655* 522.2655@1.0483575 1 21379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.2655 *522.2808* 522.2808@1.04877 1 1 1 1 1 1 1 1 1 1 1 22660 1 1 1 1 1 1 1 1 1 1 1 1 1 35195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37449 1 1 1 1 1 1 1 1 1 1 1 1 1 522.2808 *522.298* 522.298@0.92629915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.298 *522.3602* 522.3602@1.1428167 1 1 1 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11404 1 1 1 1 1 1 1 1 7108 18187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.3602 *522.3689* 1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 / 1alpha 5325 13898 1 1 1 36030 1 6846 1 36614 48926 1 2398 1 4567 1 1 1 31978 5490 5073 1 1 1 22358 1 7446 19423 1 17287 1 1 1 12872 1 1 6967 6218 1 1 34934 23926 2211 1 65803 1 1 1 35394 50267 32284 1 6430 34236 17754 1 1 1 20594 1 27891 6794 2749 3086 1 1 48160 1 37517 9317 4962 6129 1 1 1 1 37003 22815 1 15973 25530 17912 10817 9517 1 8379 2432 2804 13000 1 522.3689 *522.377* 522.377@1.1236873 1 1 1 1 18035 1 1 1 39769 1 1 1 1 1 1 5129 1 16226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18602 6198 1 1 1 1 1 1 1 5139 1 1 1 17999 1 1 1 19832 65508 35204 1 7748 1 1 1 1 1 1 1 1 1 1 1 1 1 14059 3972 22534 1 1 32580 1 1 1 1 1 1 1 1 1 1 1 522.377 *522.3905* 522.3905@1.111823 1 1 13006 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.3905 *522.4227* 522.4227@1.0631293 1 1 37584 35244 145946 1 71804 1 120461 1 1 1 1 1 62798 1 52436 56650 50566 65969 67513 1 1 59131 1 1 1 1 93665 166695 130114 133295 1 126508 1 1 166564 164162 107829 1 54242 99505 34883 1 1 1 97295 97458 1 1 1 1 75094 1 1 1 1 1 1 1 1 1 34334 1 1 192557 100785 1 1 1 1 1 1 64092 71354 1 1 1 1 1 1 1 1 1 1 1 1 97623 1 1 522.4227 *522.8109* 522.8109@1.0604753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.8109 *523.0507* 523.0507@1.197912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 523.0507 *523.0903* 523.0903@0.8200965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1839 1 1 523.0903 *523.1393* 523.1393@1.0962031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.1393 *523.2074* 523.2074@2.997053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82103 83768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.2074 *523.2416* 523.2416@1.9691978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3664 4125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.2416 *523.2508* 523.2508@1.9516855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2566 1 1 1 1 523.2508 *523.2866* 523.2866@1.0488763 1 1 1 1 5576 5709 1 1 1 1 1 5749 1 1 1 1 1 1 1 1 1 1 5465 5160 6038 1 4247 4473 1 1 1 1 1 1 1 1 1 1 4152 4664 1 1 1 1 1 1 1 1 5389 6151 1 1 5078 4826 1 1 1 1 1 1 1 1 1 3562 1 4197 1 1 1 1 4886 4769 4781 1 4413 3890 1 6812 1 1 5248 1 5289 5473 4379 4788 1 1 1 1 523.2866 *523.3735* 523.3735@1.1249137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.3735 *523.3907* 523.3907@1.1192675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.3907 *523.4227* C31 H57 N O5 11230 11807 1 1 1 1 1 1 1 1 1 1 9593 1 1 1 1 1 1 1 1 1 1 19681 18547 17563 1 15747 29173 1 1 1 1 1 5489 1 1 1 1 19097 17651 1 1 1 23580 24518 1 1 1 1 27583 27341 1 1 1 1 32736 32204 1 1 1 16959 1 1 36549 1 1 19311 1 1 1 11698 1 1 1 1 1 1 1 1 14406 14299 1 1 18845 16694 19220 1 10552 1 523.4227 *523.8168* 523.8168@1.0554671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 4240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.8168 *524.1135* 524.1135@2.1717148 1 1 1 1 1 1 8897 8948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5546 5206 1 1 1 1 1 1 1 1 1 1 524.1135 *524.1418* 524.1418@3.271328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.1418 *524.1654* 524.1654@1.1576023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.1654 *524.2049* 524.2049@2.9975533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474935 476107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2049 *524.223* 524.223@1.9730914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7416 7739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.223 *524.2235* 524.2235@2.053743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7902 8895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2235 *524.2243* 524.2243@1.5231467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2243 *524.2245* 524.2245@1.6243653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2245 *524.2343* 524.2343@1.0819969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2343 *524.2379* 524.2379@1.9756573 1 1 1 1 1 1 1 1 1 1 5735 5964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2379 *524.2405* 524.2405@1.015153 17612 17663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2405 *524.2491* 524.2491@1.956689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5256 1 1 1 1 524.2491 *524.2543* 524.2543@1.0254012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215895 1 1 1 1 149222 150457 1 1 1 4301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2543 *524.2619* 524.2619@1.0500579 1 1 144388 142206 8312 7195 1 189101 1 1 1 1 154333 1 1 1 1 1 1 1 159365 156636 1 9321 1 1 8533 10961 1 1 1 1 1 1 1 1 11882 13613 8598 9168 1 1 1 1 1 1 14565 14487 1 1 232363 227278 8608 1 129438 1 1 1 1 1 125607 127078 1 35016 266330 1 1 1 1 1 1 1 1 1 7867 8277 1 1 1 1 1 183966 1 1 11598 263593 1 1 1 1 524.2619 *524.2758* 524.2758@1.0478052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6849 7596 1 1 1 1 1 1 1 1 1 1 1 1 1 129483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6268 1 1 1 1 8671 105616 110399 1 1 158435 6935 1 1 1 1 1 1 524.2758 *524.3011* 524.3011@1.1198138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14207 6407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6199 5525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.3011 *524.351* 524.351@1.1937132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.351 *524.3643* 524.3643@1.1704824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.3643 *524.3773* 524.3773@1.1292268 5417 1 1 5158 1 1 1 1 1 1 1 1 1 4517 24004 24471 15945 1 1 8994 7576 1 1 1 1 1 24771 1 1 82947 9535 1 1 1 1 1 13980 31663 1 25117 1 1 1 3715 1 1 6076 1 1 1 1 1 1 1 1 1 1 1 1 33983 3568 39990 5148 1 1 1 1 1 1 1 19598 9158 1 1 18555 1 1 1 1 1 1 1 53075 7825 8392 1 12806 13248 1 1 524.3773 *524.3827* 524.3827@1.1140915 1 1 1 1 1 1 5235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24604 8500 1 1 1 1 1 1 1 10516 1 1 1 1 5893 1 1 1 1 11104 1 1 1 1 1 1 1 1 1 1 7122 1 1 1 1 1 13480 1 1 1 1 1 1 1 1 1 1 1 1 1 11609 1 10266 1 1 1 1 524.3827 *524.3927* 524.3927@1.1055272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.3927 *524.4215* 524.4215@1.0679358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15598 1 1 1 1 1 1 1 1 1 23182 1 1 1 1 1 1 11681 1 524.4215 *524.4253* 524.4253@1.0657303 16221 17781 1 1 1 1 1 1 1 1 1 1 14262 1 26577 1 1 1 18366 1 1 1 1 27770 30528 29976 1 24480 52427 1 1 1 1 1 7881 1 1 1 1 29358 28552 1 9860 1 39889 34225 1 1 1 1 45576 43019 1 1 1 1 62943 53336 1 1 1 21272 10419 1 40004 1 1 23172 1 1 1 1 1 1 1 1 1 1 1 1 21728 1 1 1 23339 24958 36950 1 1 1 524.4253 *525.046* 525.046@1.2016997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 1 1 525.046 *525.0968* 525.0968@1.1310859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4994 4023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.0968 *525.134* 525.134@3.6192384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8399 8514 1 1 1 1 525.134 *525.1863* 525.1863@1.9734015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.1863 *525.2373* 525.2373@1.0255401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.2373 *525.2578* 525.2578@1.0494329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.2578 *525.2687* 525.2687@1.0527952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2533 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.2687 *525.2764* 525.2764@1.0410074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.2764 *525.2833* Desmosine 13970 13916 11049 11428 7314 7214 11307 10526 5918 5976 11965 12139 7363 7679 6413 5792 4963 5050 19450 19987 15628 15871 12121 12285 8634 9372 7511 7802 12955 13026 18559 18246 14037 13930 6928 6582 8632 8765 10211 10211 8472 8947 6215 6832 13695 13692 13250 13300 12333 12221 15471 16186 4348 3667 8295 8315 18474 18730 12225 11653 7333 7011 4495 4991 10056 10259 11108 10906 9021 7091 15653 15204 7181 6670 12133 14698 10428 10212 26442 27623 11307 10354 10052 10186 7918 7769 15333 16457 3602 3308 HMDB00572 525.2833 *525.3402* C24 H39 N13 O 3761 3604 3913 4187 3854 3259 4259 4285 4648 4125 6245 6212 4111 3900 5398 5006 2016 1 6814 6970 5084 4668 5105 4868 5618 6043 5194 5067 7770 7440 6478 6943 3971 4166 1 1 3764 3931 5588 5830 5829 6316 1 1 4131 4021 5094 5207 4316 4426 6444 6368 2295 1 5012 4811 7311 6947 8470 8530 3534 3462 1 1 3549 3566 3052 3239 5282 5680 5429 5401 3212 3241 1 1 3821 4223 5677 5165 4791 4808 3429 3486 7279 7333 9116 9441 2913 2922 525.3402 *525.3692* 525.3692@1.1339947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.3692 *525.3769* 525.3769@1.1305647 1 1 1 1 3417 1 1 1 1 1 1 4923 1 1 1 1 1 1 1 1 1 1 1 1 1 3359 1 1 6164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6779 1 1 1 1 4335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.3769 *525.3851* 525.3851@1.1157947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.3851 *525.3947* 525.3947@1.0989747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.3947 *525.4047* 525.4047@1.0983771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.4047 *525.4167* 525.4167@1.075317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3502 525.4167 *525.4254* 525.4254@1.0668582 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 3382 1 1 3738 1 1 5922 1 1 1 4712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4974 1 1 1 1 1 4923 1 1 1 1 1 6981 1 1 1 1 1 5532 1 1 1 1 1 1 1 1 4648 1 1 1 6036 1 1 1 4964 1 1 1 1 1 1 525.4254 *525.4341* 525.4341@1.065319 1 1 1 1 1 8557 5338 5430 1 6465 6889 7286 1 1 1 4950 1 1 1 1 4462 4614 1 1 1 1 1 1 1 1 8483 8699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7000 6923 1 1 1 1 1 1 1 1 6544 7493 1 1 1 1 3925 1 7620 8249 1 1 1 1 5301 1 1 1 1 7075 1 1 525.4341 *526.0384* 526.0384@3.3661246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.0384 *526.039* 526.039@3.3044367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12368 26756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.039 *526.1117* 526.1117@3.025069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13467 19429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.1117 *526.1119* 526.1119@3.1139703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.1119 *526.1406* 526.1406@2.8561199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26313 1 1 1 1 1 526.1406 *526.1417* 526.1417@2.8206232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143670 126392 1 1 1 1 526.1417 *526.1434* 526.1434@2.711062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225555 1150829 1 1 1 1 526.1434 *526.1637* 526.1637@1.2015423 1 1 1 1 1 1 10989 9888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.1637 *526.2629* C23 H44 Cl2 N4 O5 120427 149077 1 1 63357 43890 47662 1 120522 1 1 1 1 183941 171403 1 119940 103392 1 1 1 1 45852 45480 1 241629 44791 44297 242505 242711 213955 217280 172689 168357 1 1 52990 55828 44211 43120 39851 39655 146377 169885 232944 228982 75981 58706 124807 171017 1 1 40695 42534 1 1 228699 229509 93822 94341 1 1 1 1 1 1 327861 319568 201281 202497 1 1 151882 153173 43306 44687 246726 44872 1 1 1 1 1 37534 61696 1 173126 175154 131848 133875 526.2629 *526.2887* 526.2887@1.182796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.2887 *526.3831* C18 H42 N18 O 8569 11882 1 9817 1 1 4119 8200 1 1 1 38422 8571 1 1 1 1 8461 1 17162 11240 14925 29366 30769 11926 24400 1 22137 53164 1 21554 15777 1 5620 1 1 25621 1 13018 1 1 32097 1 11762 1 1 11819 14194 1 1 1 24476 13705 1 20557 16538 1 46601 24452 1 30174 1 10664 13855 45900 54168 49374 1 1 9079 1 15970 20314 12629 1 1 1 18608 1 9499 1 13680 1 24113 19058 18801 1 1 20704 16974 526.3831 *526.3844* 526.3844@1.1237607 1 1 1 1 30874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 42693 23199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7120 1 1 1 6912 1 1 47792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4614 526.3844 *526.3962* 526.3962@1.0947859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4246 1 526.3962 *526.4045* 526.4045@1.0815599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.4045 *526.4143* 526.4143@1.0626554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.4143 *526.4177* 526.4177@2.7011104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3195 1 1 1 1 526.4177 *526.4221* 526.4221@1.0634558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8484 5075 1 1 1 1 1 1 1 1 1 1 1 1 1 9625 1 1 13983 1 3876 1 22738 1 1 1 3236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6060 1 1 1 1 1 1 1 1 1 5779 1 1 1 1 1 3257 1 14553 11527 3334 4840 1 1 1 1 1 1 1 1 1 1 526.4221 *526.4251* 526.4251@1.0609182 1 1 1 5635 1 7535 15175 5972 1 11721 9849 5755 1 4827 1 1 1 1 1 16041 17915 8006 1 1 1 1 22064 1 1 35272 1 7075 1 1 1 1 28030 1 1 1 1 1 7150 8126 1 1 1 1 16939 1 1 1 1 3178 1 21045 1 1 1 6013 1 1 1 1 1 1 26742 1 1 12861 1 1 1 1 1 20933 1 1 1 1 1 1 15899 16159 1 1 1 32816 1 10571 526.4251 *526.4401* 526.4401@1.0508702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.4401 *527.0711* 527.0711@1.0334386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8880 8816 1 1 1 1 1 1 1 1 1 1 1 1 527.0711 *527.1949* 527.1949@3.118972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.1949 *527.1951* 527.1951@3.0370727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3282 20643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.1951 *527.1973* 527.1973@2.988917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.1973 *527.2334* 527.2334@0.93962234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.2334 *527.2492* 527.2492@1.5921488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5853 6825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4189 1 527.2492 *527.2511* 527.2511@1.370233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7881 8756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.2511 *527.2534* 527.2534@4.5369716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4906 5017 1 1 1 1 1 1 1 1 11987 10845 1 1 4868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5099 527.2534 *527.3201* C19 H45 N9 O6 S 4557 4814 8433 8897 8589 8809 9906 8890 7158 7309 6607 6655 5758 6188 8143 8511 4754 4749 7833 7673 8889 8665 6952 6661 5726 5305 7106 7029 9306 9618 7501 7752 10768 10767 6733 6753 6218 5787 5694 5679 8045 8632 8923 9356 5364 5321 10905 10941 9554 9470 7925 8080 4675 4837 7148 6741 7441 7525 8473 9151 4832 4946 2898 3199 6267 6283 5372 5217 7243 6961 5647 6103 5132 5247 3577 3648 5607 5268 7665 8456 6791 6685 5760 5284 9196 9812 12294 12242 6196 5803 527.3201 *527.3534* 527.3534@2.8921018 1 1 1 1 1 1 26043 26458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19895 19941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3534 *527.3555* C24 H41 N13 O 2956 3239 3592 3830 2462 2837 4517 4268 3914 4001 4565 4486 3431 3867 5375 5346 1 1 5842 5598 4337 4599 1 1 3973 4181 4745 4453 5898 6042 4266 4527 3248 3337 1 1 1 1 4766 4680 5842 5974 3190 3030 4766 4824 3708 3668 1 2859 3735 4114 1 1 3489 3509 4290 4344 7026 6560 1 1 1 1 1 2739 1 1 3972 3673 3718 3296 2359 3129 1 1 1 1 7758 8731 3939 4210 1 1 6489 6023 4151 3971 2666 2251 527.3555 *527.3839* 527.3839@1.1339285 1 1 1 1 1 5048 1 1 1 4753 5481 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5656 1 1 1 1 6039 1 1 5006 1 4469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5340 1 1 1 1 1 1 1 5345 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3839 *527.3902* 527.3902@1.1263359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3902 *527.4069* 527.4069@1.0737581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.4069 *528.0983* 528.0983@1.6436896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14553 13964 1 1 528.0983 *528.2179* 528.2179@3.9096637 1 1 1 1 1 1 1 1 1 1 11382 11021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11830 9268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8272 8794 1 1 1 1 1 1 13498 13440 9926 9180 1 1 1 1 1 1 1 1 1 1 10130 11310 8483 7575 7295 6613 1 1 1 1 7122 7132 528.2179 *528.2241* 528.2241@1.9649023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3554 1 1 4303 1 1 1 1 1 1 1 4095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4210 1 1 4370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.2241 *528.2702* 528.2702@1.0480448 1 1 1 1 79708 77872 75653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87300 198729 1 1 89563 89882 1 1 1 11883 1 1 1 1 81999 84348 167034 168328 69393 71425 1 1 1 1 202829 91482 1 1 1 1 69403 156185 1 1 1 1 1 1 1 1 1 78402 1 1 1 1 1 1 1 1 1 1 171487 175456 1 202439 1 1 1 1 1 65614 249957 1 1 1 1 1 528.2702 *528.3134* 528.3134@1.1916455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.3134 *528.3341* 528.3341@1.10776 2440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9905 1 1 1 1 1 1 1 1 1 528.3341 *528.3449* 528.3449@1.101555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1951 1 1 1881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.3449 *528.3556* 528.3556@1.1035337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3323 1 1 1 1 1 1 528.3556 *528.359* 528.359@1.1035848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 2869 5359 1 1 1 1 528.359 *528.3717* 528.3717@1.1155837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.3717 *528.3958* C27 H53 Cl N6 O2 2575 1 3242 1 1 1 4253 3935 10159 10381 1 1 1 3427 5049 7487 6752 7088 9490 8445 1 1 1 1 1 1 7770 1 1 1 1 9002 1 16347 1 1 1 7373 5606 5738 11163 1 3666 1 1 14172 1 1 1 1 9198 1 5589 1 1 8084 20062 1 1 1 1 11970 1 1 1 1 1 1 12320 9886 5182 1 1 6222 5798 6897 9780 1 1 8946 6580 7262 1 1 1 1 2755 2238 1 1 528.3958 *528.3969* 528.3969@1.1429318 1 1 1 1 1 11827 1 1 1 1 12383 1 1 1 1 1 1 1 1 1 1 1 1 1 8201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9930 1 1 1 1 1 13594 1 1 1 1 1 1 528.3969 *528.4143* C26 H48 N12 5932 1 1 1 1 1 33467 31457 5644 1 1 1 9026 1 1 1 1 2866 13513 1 1 1 33433 1 3348 1 1 1 41021 1 1 15057 8539 1 3139 1 12554 1 9754 10608 12503 13627 1 1 11660 1 6498 7496 1 1 13948 11536 1 1 27427 2996 1 7045 8559 9737 5639 3264 1 1 8957 12421 1 1 34379 1 13604 1 1 10711 10413 1 1 1 29408 14036 10762 11905 1 1 13494 14437 43666 1 1 1 528.4143 *528.4208* 528.4208@1.0763724 1 2343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.4208 *528.9732* 528.9732@1.0579808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17606 1 1 1 18854 1 1 1 1 1 1 1 1 1 1 1 1 1 2464 20904 1 1 1 1 528.9732 *528.9756* 528.9756@1.0432489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32913 1 1 26478 1 1 17512 14953 15564 1 1 1 1 1 1 1 1 4906 1 1 1 1 1 1 1 10246 16302 15403 1 1 1 1 1 1 1 16571 1 18394 15069 1 1 1 1 16645 2786 21436 1 20193 28356 26949 20236 18197 1 1 19915 1 20854 20127 1 1 528.9756 *529.1041* 529.1041@0.81088966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19346 19070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12812 11223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12703 12446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 529.1041 *529.1409* 529.1409@2.8090868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4172 1 1 1 1 1 529.1409 *529.2669* 529.2669@4.944907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 529.2669 *529.2681* 529.2681@5.028667 1 1 1 1 1 1 4161 1 6338 1 1 1 1 1 1 1 3577 1 1 1 1 1 4442 1 5713 4826 1 1 1 1 5850 6051 1 8976 3500 1 1 2182 1 1 1 1 1 1 1 1 1 1 1 1 5952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3228 1 1 1 1 5327 1 1 1 1 1 1 1 1 1 1 18439 529.2681 *529.2699* 529.2699@4.962249 1 1 1 1 4905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 529.2699 *529.276* 529.276@1.045029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18963 19386 18732 1 1 1 1 1 1 1 1 1 529.276 *529.3138* 529.3138@6.4302325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3275 1 1 529.3138 *529.3984* 529.3984@1.1413391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3542 1 1 1 1 3041 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3502 1 1 1 1 1 1 2457 529.3984 *530.2099* C28 H30 N6 O3 S 32455 35070 1 1 1 1 13892 8199 12413 9584 28468 27593 10223 6819 10761 8512 5790 1 1 1 1 1 41664 20197 8033 9210 20161 17823 10738 12513 6236 13542 22011 8415 13384 8895 1 1 1 1 1 1 1 1 1 5320 1 1 31497 32979 14230 6456 1 1 9868 8098 28018 47226 8084 29460 1 1 27154 27159 1 1 6696 26977 1 1 1 1 4618 6865 9015 6864 7284 12454 1 1 18280 7514 10493 8613 14323 7829 1 1 9418 12398 530.2099 *530.2101* 530.2101@3.4060438 1 1 1 1 1 1 1 1 1 4296 1 1 1 1 1 1 1 1 1 1 1 1 1 19019 1 1 1 1 1 1 4079 1 1 9269 1 4506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15833 1 22413 1 1 1 1 1 1 1 1 1 1 1 1 1 6193 1 1 1 5367 1 1 1 1 7202 1 1 1 6748 1 1 1 1 530.2101 *530.212* 530.212@1.185766 4340 4329 1 1 1 1 1 1 1 1 3332 3538 1 1 1 1 1 1 1 1 1 1 1 4854 1 1802 1 1 1 1 1 1 5252 3825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3124 1 1 1 1 1 1 1 4532 4744 2900 7253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.212 *530.2134* Trp Tyr Tyr 6806 6624 1 1 1 1 3431 2586 1 1 2878 4518 2258 2798 1 1 6086 5537 9071 8824 5312 5728 10809 6728 1937 2112 4136 4141 5614 5831 1 1 3801 5327 1 1 1 1 1 1 1 1 1 1 8494 7381 5902 5487 3367 2734 1 1 1 1 1 1 2820 2826 6603 2583 1 1 3466 4052 1 1 6009 7212 1 1 4997 5035 1 1 1 1 2685 1 5682 5481 4269 3996 4287 6462 7288 7097 1 1 5685 6283 530.2134 *530.2242* 530.2242@1.1456269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.2242 *530.2839* 530.2839@1.0421808 1 1 1 1 69718 70464 143078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78586 1 1 1 125439 75748 1 1 1 1 1 1 1 1 111479 116721 1 1 58382 60986 1 1 1 1 1 138708 1 1 1 1 59962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143695 151824 146796 1 1 58956 1 1 1 1 1 1 530.2839 *530.307* 530.307@1.0460453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258743 262885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.307 *530.3236* 530.3236@1.1850619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7048 8341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.3236 *530.3375* 530.3375@1.102221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5000 1 5388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2888 530.3375 *530.3483* 530.3483@1.1054709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7777 3041 1 1 1 4135 1 6674 1 1 1 1 1 1 1 5355 9034 8869 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 3365 4646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11778 1 1 1 1 1 1 1 4896 1 5839 1 1 1 3987 1 1 9643 1 1 1 1 1 530.3483 *530.3531* 530.3531@1.113515 5947 1 1 1 6907 7439 1 1 7108 4544 69696 7234 1 1 5500 1 1 1 1 1 1 1 9100 8149 10204 3270 26489 4098 16297 13780 1 1 1 6418 1 1 1 3459 8732 1 5589 6028 1 1 9884 9337 1 1 1 1 5929 4369 6461 7458 5354 4844 1 1 1 1 76652 30931 1 1 9391 11733 7403 1 5295 6067 1 1 4269 6156 1 1 7186 1 4161 7047 1 1 8934 5432 1 4405 1 1 1 1 530.3531 *530.3677* 530.3677@1.1041157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 530.3677 *530.3811* 530.3811@1.1308323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.3811 *530.4246* C32 H63 Cl O S 28970 11261 6847 6723 21152 37227 1 1 28937 24837 34932 33151 18865 25333 27443 14341 20622 9308 1 14179 26696 25825 1 31968 26845 15196 29342 32413 1 1 33962 36300 33018 24862 7447 11901 73221 74714 36366 40901 15648 25767 8690 8538 40828 1 46809 23441 26096 25915 61334 58586 23830 24371 1 28101 42494 43018 12963 1 27743 30622 12110 7621 46770 45854 22922 16154 1 38477 20079 16656 10409 1 23598 26640 40460 42602 1 16753 21065 19770 19843 21484 46618 50821 1 1 6845 7755 530.4246 *530.9825* 530.9825@1.0418276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5819 5040 1 1 1 12131 5864 7258 8483 8504 10201 10927 1 1 2026 5109 1 15015 9249 9271 8617 1 1 1 13999 15608 6207 7855 1 1 13452 1 1 1 1 14929 1 16602 16047 1 18967 1 17464 1 1 1 1 1 12147 12359 1 1 1 1 1896 6089 530.9825 *531.027* 531.027@0.8120577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5066 5341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11518 12477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11591 11368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.027 *531.0314* 531.0314@3.6662226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14744 13370 1 1 1 1 531.0314 *531.2134* 531.2134@3.4111154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.2134 *531.2186* 531.2186@1.0108085 1620 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.2186 *531.2525* 531.2525@0.7138732 4576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 1 1 1 1 1 1 1 1 1 1 1 3577 3619 1 1 1 1 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.2525 *531.2863* 531.2863@1.0443013 11540 1 12932 12795 1 1 1 16203 1 10218 16718 16926 13643 1 1 1 1 1 12798 12344 13686 13163 1 1 15563 1 1 1 1 1 1 1 1 1 7904 7655 1 1 1 1 1 1 1 1 1 1 1 1 13256 1 20916 21133 1 1 12159 13227 1 1 1 1 11546 11175 9385 9322 1 17506 1 1 1 1 11247 11077 1 1 1 1 1 1 1 1 1 18527 13097 1 1 20960 1 1 1 1 531.2863 *531.3124* 531.3124@1.0806789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3124 *531.331* 531.331@1.0808687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.331 *531.3472* 531.3472@1.098206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3472 *531.3655* 531.3655@1.0836788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3655 *531.3879* 531.3879@1.0812745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3879 *531.4268* 531.4268@1.046306 1 3892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3805 1 1 1 1 1 1 1 1 1 1 5956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5999 1 1 1 1 1 1 1 1 1 1 1 1 1 8199 1 1 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 5741 1 1 531.4268 *532.0382* 532.0382@1.2985437 1 1 1 1 1 1 5704 3744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.0382 *532.1113* 532.1113@3.6832156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10966 20688 1 1 1 1 532.1113 *532.1126* 532.1126@3.6302958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9516 1 1 1 1 1 532.1126 *532.2497* C26 H40 N6 S3 22665 22780 1 1 1 1 1 1 1 1 1 1 1 1 12120 11670 1 1 1 1 1 1 5989 5871 12123 12476 21207 21017 18702 20728 1 1 1 1 1 1 13862 13198 1 1 20069 19851 1 1 1 1 5672 5283 1 1 21259 21716 1 1 9544 9408 1 1 4736 3675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17842 18055 1 1 1 1 1 1 1 1 532.2497 *532.2922* C22 H42 Cl2 N10 O 39983 1 67366 79519 71436 71026 1 87116 25252 53845 88135 88049 65145 1 1 66069 1 1 69611 70473 70408 70662 77191 1 1 1 1 52677 1 1 1 1 1 1 42763 37320 1 1 1 1 66768 68536 1 1 1 1 1 1 82111 1 95429 93661 66998 1 68676 66883 1 1 1 1 49457 38347 50928 52508 1 61399 1 1 1 1 58428 58965 1 1 1 1 1 1 1 1 1 79007 73059 71958 1 80839 1 1 1 1 532.2922 *532.3615* 532.3615@1.138637 1 1616 1 1 1 1 1 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6250 1 1 1 1 1 1 1 1 1 1 5757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 2947 1 1 1 1 1 1 2974 1 1 1 1 1 1 532.3615 *532.3706* 532.3706@1.1524507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3706 *532.3709* 532.3709@1.0908442 9874 11695 1 6952 21419 22033 7566 8456 17342 16563 1 19270 6884 7470 13580 12545 9920 10299 11913 12311 11300 11681 19892 22740 71915 21281 1 20349 1 28159 20198 22194 1 20462 1 3790 18633 17912 19257 18762 22919 20955 8935 8661 1 20000 14031 14411 16652 15481 2189 1 18109 17800 15290 14118 3667 26295 13504 16084 1 1 1 1 1 7370 25884 24571 17532 19260 19028 17192 13560 1 16177 15987 15742 155693 16927 17970 11109 15954 19071 16644 20721 20983 7554 1 1 1 532.3709 *532.3771* 532.3771@1.0840448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21511 83186 1 1 1 1 85755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80132 1 1 532.3771 *532.436* 532.436@1.0423331 1 12840 4965 6305 17636 1 1 1 1 1 1 1 1 1 1 15072 1 1 15124 10118 1 1 1 1 1 9181 1 1 1 14415 1 1 1 1 7722 1 1 1 1 1 9152 1 6624 7296 1 23732 1 25309 1 1 1 1 1 1 1 1 1 1 28802 27965 1 1 1 4483 1 1 1 7536 1 1 1 1 8586 8633 1 1 1 1 1 10493 1 1 1 1 1 1 1 18454 7265 4892 532.436 *532.988* 532.988@1.0404252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10302 5205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6031 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 532.988 *533.1* 533.1@0.8512882 1 1 1 1 1 1 1 1 3924 4143 3364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4061 3440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1 *533.1272* 533.1272@1.9681954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 5165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1272 *533.1299* 533.1299@2.8266282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3782 5463 1 1 1 1 533.1299 *533.1311* 533.1311@2.7045608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6975 3042 1 1 1 1 533.1311 *533.2039* 533.2039@1.0213432 1 1912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2039 *533.2346* 533.2346@1.0272918 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2346 *533.2405* 533.2405@2.3616276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8025 7876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2405 *533.2744* 533.2744@1.0483575 1 5920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2744 *533.2935* C30 H45 Cl2 N3 O 1 1 1 1 1 1 1 1 7876 1 1 1 1 8566 7953 1 5377 5188 1 1 1 1 1 10801 1 1 1 1 11148 11374 11930 12604 9955 10673 1 1 1 1 9264 8658 1 1 7137 1 11032 11095 10316 1 1 9117 1 1 1 8686 1 1 13618 13455 1 1 1 1 1 1 9082 1 14938 15824 10366 10594 1 1 5598 6722 8342 8348 12240 11692 1 1 1 1 1 1 10693 1 8336 8361 7260 7560 533.2935 *533.294* 533.294@5.4843245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7215 6883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.294 *533.3723* 533.3723@1.0801439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4662 1 1 1 1 1 1 1 1 1 533.3723 *533.4442* 533.4442@1.0442119 1 1 1 1 1 1 3980 3688 1 3416 1 1 2263 1 1 1 1 1 1 1 1 1 2285 1 1 1 2088 1 3096 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 1 1 1 1 1 1 1 4041 1 1 1 533.4442 *533.7977* C11 H Cl3 N4 O9 S3 4246 4199 3317 3280 3878 3853 1 3251 3679 3510 4545 4609 3608 3567 4095 3926 3705 4063 4624 4451 3958 3670 3394 3569 4311 4238 3780 3720 4059 3836 4240 3938 4191 4217 4105 4287 3640 3614 3924 3936 4087 3908 3645 3487 3568 3497 3717 3574 3304 3653 3836 3801 4053 4444 3597 3400 3792 3917 3947 4356 4468 4183 4745 4476 3958 4143 4100 3985 3516 3652 4788 4945 3614 3966 3726 3960 3337 3613 4076 4278 3861 4197 4513 4173 4307 4152 4563 4369 3932 3814 533.7977 *533.9199* 533.9199@1.0144618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.9199 *534.1176* 534.1176@1.1506728 3700 3590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 2447 1 1 1 1 1 1 1 1 1 1 1 1 1866 5624 1 1 1 1 1 1 1 1 1 1 7213 7618 4450 5377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7463 7511 1 1 1 1 1 1 7326 5640 1 1 3604 3554 1 1 1 1 1 1 534.1176 *534.1277* 534.1277@2.7390733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34278 54998 1 1 1 1 534.1277 *534.1278* 534.1278@2.8281004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23722 1 1 1 1 1 534.1278 *534.1686* 534.1686@1.5722208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9055 8315 1 1 7599 7117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.1686 *534.2552* 534.2552@1.1097835 1 1 3018 1524 2593 1709 6749 2205 1 1 1 1 7425 2825 1 1 1 1 1 1 1 1 1 4974 1 1 7257 8844 3480 2298 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5253 1 1 3913 1 1 1 1 1 2156 4700 1 1 1 1 1 1 1 1 1 1 1 1 1 534.2552 *534.2964* C24 H47 Cl N6 O S2 1 28016 1 1 1 1 1 1 28767 1 1 1 1 29063 35507 1 17536 20489 1 1 1 1 1 37641 1 1 1 1 45991 46236 47481 49014 1 41114 1 1 1 1 34621 34952 1 1 36835 1 42116 41000 38421 1 1 45575 1 1 1 34247 1 1 50319 48268 27517 29333 1 1 1 1 24503 1 68555 68022 39933 44264 1 1 27005 26305 37366 39425 45865 44365 1 1 1 1 1 1 38013 1 1 24308 34799 36159 534.2964 *534.2989* 534.2989@1.0429072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26075 1 1 1 534.2989 *534.3863* 534.3863@1.1274601 21018 1 1 1 1 6993 1 1 1 6057 1 1 1 1 1 1 1 1 4994 1 1 1 1 1 1 1 1 5954 4573 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 6171 1 1 1 9463 1 3554 1 1 1 1 1 1 10805 1 1 1 4953 1 5135 1 1 5645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.3863 *534.3893* 1alpha,25-dihydroxy-2beta-butoxyvitamin D3 / 1alpha,25-dihydroxy-2beta-butoxycholecalciferol 9479 31235 18023 20027 55587 46419 82477 79599 44211 38723 1 53917 20432 22263 34026 34783 26773 25205 30505 36456 29239 99639 52982 54766 1 38756 42974 35479 69508 76631 46904 52805 68226 65034 17361 17522 45391 44806 48298 51705 56347 56279 22471 70343 63446 63138 109138 37111 42310 41499 63715 1 45262 40987 150124 43390 5144 219989 45179 142301 6295 63441 1 23354 93964 91782 57270 67046 52912 52904 38113 43827 29722 34970 41938 34305 51398 1 41410 44528 38393 37741 48972 51375 50227 49612 29364 1 33611 33491 534.3893 *534.4437* 534.4437@1.036422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 4540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.4437 *534.4487* 534.4487@1.036654 1 1 1 1 1 1 5708 6583 4598 3584 1 1 3982 1 1 1 1 1 1 3831 1 1 3307 1 1 1 1 1 1 1 1 1 1 4819 1 1 1 1 1 1 3429 1 1 1 1 1 1 1 1 1 1 1 1 1 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 6263 1 1 1 1 1 1 1 1 1 4262 3975 1 1 1 1 3389 1 9112 7187 1 1 534.4487 *535.0663* C15 H32 Cl3 N3 O7 S2 1 1 9176 8202 1 1 8890 9403 1 7805 1 1 8191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12552 11331 8259 15413 8114 8606 14052 9068 11727 6984 13344 12422 7553 8529 8719 10376 11477 11952 13499 13746 21026 21388 17421 18213 13511 13818 11988 16081 16616 15509 12986 9578 1 1 10236 2359 20360 20273 12802 13118 19435 21822 11881 11668 19636 17909 13843 14606 19102 20146 15290 14486 15510 13429 16446 18515 20042 20390 12799 9432 535.0663 *535.0789* 535.0789@1.097364 6951 7722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.0789 *535.133* 535.133@2.6679752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1592 1 1 1 1 1 535.133 *535.1469* 535.1469@1.9526649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48972 47831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.1469 *535.174* 535.174@1.0303206 2494 3806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.174 *535.255* C28 H37 N7 S2 60187 53441 10438 9056 26779 28092 33868 34926 64822 65846 1 7337 6641 7078 40976 38409 47603 52206 40319 39116 8536 9075 69743 68854 49621 49286 31286 30717 1 1 51771 58375 59913 60505 19531 19783 21120 21850 65732 64463 7598 7481 44911 44783 24860 25044 1 1 23615 23438 36878 35483 23640 22639 7897 10421 9146 8816 12678 27915 60416 62061 23992 24272 10286 8364 13606 10180 6572 1 59271 62746 46016 46947 73469 71932 16059 19255 18545 20055 41815 42934 7227 1 40560 38081 1 1 47802 52474 535.255 *535.2552* 535.2552@3.004405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7852 1 1 1 1 1 1 1 1 4151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.2552 *535.2774* 535.2774@1.0523103 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.2774 *535.2894* 535.2894@1.0487292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.2894 *535.2924* 535.2924@1.04197 1 1133 1 1 1 1 5179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4856 1 1 1 1 1 1 1 1 1 4624 3907 1 1 1 1 1 1 1 1 1 4534 1 1 1 1 1 1 1 1 1 1 1 1 1 3452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5124 5912 6233 1 1 1 1 1 1 1 1 1 535.2924 *535.3927* 535.3927@1.088617 1 1 1 1 1 1 1 1 1 1 13938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.3927 *535.394* 535.394@1.0544448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.394 *535.4527* 535.4527@1.037382 1 1 1 1 1 1 1 1 1 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 3334 1473 1 1 1 1 1 1697 1 1843 1 1 1 1775 1644 1 1 1 1 2139 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 535.4527 *535.7956* 535.7956@5.552395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.7956 *535.9312* C32 H3 Cl3 N2 O 2232 2287 2155 1 2788 2461 2836 2618 2640 2707 2458 2283 1 2179 2710 2730 2509 2557 3119 3412 2674 1 2500 2565 3056 3133 2520 2532 2338 2370 1 2087 2340 2704 2675 1 2352 2205 2733 2187 2476 2636 1 2175 2492 2374 2507 2383 2591 2648 2756 2756 2858 2557 1 2434 2596 2628 2677 2319 2296 1 2449 2308 2405 2636 2855 2793 2729 2796 3458 3279 2172 2322 2205 1 2504 2689 2646 2467 2815 2736 2258 2376 2748 2707 3018 2666 2194 2701 535.9312 *536.0632* 536.0632@3.6861477 1 1 1 1 1 1 9661 9804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7889 8408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.0632 *536.2399* 536.2399@1.1814754 1 1 1 1 1 1 1 1 1 1 1 1 3526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8190 1 1 1 1 1 1 6510 1 1 1 1 1 1 1 1 1 1 1 1 1 6516 3528 1 1 1 1 8268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5723 1 1 1 1 4839 1 1 1 1 1 1 5193 1 1 1 1 1 536.2399 *536.2579* 536.2579@2.9372706 1 1 1 1 1 1 1 1 3716 1 1 1 1 1 1 1 3160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4358 1 536.2579 *536.2626* 536.2626@1.1140661 1 1 1 1 3834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3377 1 1 1 2285 1 1 1 1 1 3104 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 3196 1 1 1 1 1 1 1 1 1 2559 1 1 3848 1 1 3497 1 1 1 1 1 1 536.2626 *536.2633* 536.2633@1.9411092 1 1 1 1 7664 9312 6327 6999 1 1 6558 1 1 1 1 1 1 1 1 6351 1 1 8084 9467 1 1 1 1 1 1 1 1 12205 10535 1 1 7283 4922 1 1 5374 6210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7537 9445 1 1 6646 3941 1 1 1 1 1 1 1 1 4474 4454 1 1 8876 11366 1 1 1 1 536.2633 *536.2709* 536.2709@1.1026624 1 1 1 11166 1 2297 1 5055 1 1 1 1 1 6267 1 3394 1 1 1 1 1 1 1 1 1795 3204 1 1 1 5354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 4037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3382 1 1 1 1 1 1 1 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.2709 *536.2823* 536.2823@1.0458628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15757 8049 11077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.2823 *536.2857* 536.2857@1.0511047 12671 1 16418 1 1 1 23161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15191 12601 1 1 1 1 1 17317 1 1 1 15302 1 1 1 1 1 1 1 1 1 1 1 1 1 9973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15156 15143 15010 1 1 1 1 1 1 1 1 1 536.2857 *536.3132* 536.3132@0.8786513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3132 *536.3136* 536.3136@0.85197383 1 1 3319 1 1 1 1 1 1 1 6473 6804 1 1 1 1 1 1 1 1 1 1 10685 10446 1 1 1 1 4968 1 1 1 1 1 1 1 1 1 1 1 4400 4385 10409 10389 1 1 1 1 5221 4826 1 1 1 1 1 1 1 1 1 1 6445 6451 13463 13452 3897 4821 13640 10785 1 1 4777 4424 1 1 1 1 1 1 1 1 1 1 5066 5073 1 1 1 1 1 1 536.3136 *536.4045* C28 H52 N6 O4 60942 56121 43101 43113 124053 126788 1 1 96685 88823 110381 111132 63721 64780 73827 71725 55729 55591 79164 78408 64873 1 108048 111959 107246 107664 90864 91087 169897 170898 99814 102476 223616 219467 34341 25842 107410 108302 112947 112750 120605 118238 46467 1 137970 141043 1 73373 92743 90987 140218 140191 113655 112779 1 106525 175844 16196 103119 1 173812 171879 1 50327 212870 211326 170413 171523 109291 108779 89046 88142 68395 67553 82548 83386 114569 1 92868 95243 79843 79363 107626 110180 89634 101838 29631 1 64938 64610 536.4045 *536.4075* 536.4075@1.1171243 1 4044 1 1 1 1 1 1 1 9657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14193 1 25037 1 1 1 536.4075 *536.4552* 536.4552@1.0278878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 536.4552 *536.461* 536.461@1.0265062 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.461 *537.0615* 537.0615@1.0953143 1 1 1 1 1 1 1 1 1 1 5648 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.0615 *537.0623* 537.0623@1.1256653 9761 9476 1 1 1 1 1 1 6016 1 2196 3699 1 5749 1 1 1 1 1 1 8645 8247 8784 10748 1 1 1 1 1 1 1 1 4582 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4552 3039 1 2802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.0623 *537.1056* 537.1056@0.8919958 1 1 1 1 1 1 5510 5875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9373 9228 1 1 537.1056 *537.2829* 537.2829@1.0513182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3307 1 1 1 1 1 1 1 1 1 1 2620 2338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.2829 *537.2856* 537.2856@1.052351 1 1 4181 3431 1 1918 1 3532 1 1 3393 3551 1 1 1 3871 1 1 3591 3648 1 2517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3221 1 1 1 2789 1 2613 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 3121 2945 1 1 1 1 1 1 1 1 1 3100 2518 1 1 2124 2315 2874 1 1 537.2856 *537.3* 537.3@1.0475819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.3 *537.4073* 537.4073@1.0876782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27756 1 1 1 1 1 1 1 1 1 14455 1 1 537.4073 *537.8887* C13 H9 Cl3 N2 O13 S 1793 2143 2016 1798 1964 2045 2113 2043 1977 1 1924 1887 1972 1914 2048 2126 2270 2063 2532 2482 1900 2253 2042 1837 2626 2700 2080 2184 2104 1932 2093 1917 2105 2175 2317 2226 1830 2144 1997 2101 2400 2520 1 1911 2185 2420 2184 2173 2119 2282 2603 2698 2486 2385 2261 2350 2301 2274 2253 2239 2215 2267 2523 2409 2132 2681 2922 2531 2128 2352 2947 2905 2188 2071 2377 2265 2411 2135 2298 2370 2665 2489 2426 2464 2248 2380 2906 3174 1916 2247 537.8887 *538.161* 538.161@1.1027365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.161 *538.204* 538.204@3.0025573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4709 3398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.204 *538.2075* 538.2075@2.9621649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2075 *538.2379* 538.2379@1.2017252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4451 4387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2379 *538.2521* 538.2521@1.0345275 8642 8874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22023 22587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2521 *538.2569* C32 H42 O3 S2 1 1 7047 22197 3527 3466 1 1 3613 3724 3729 3882 4993 4688 7700 2585 6731 2215 9586 2523 4207 4587 18028 4213 7629 2927 3749 4150 5445 23602 1 1 6033 18906 1 1 4004 4511 3629 3323 10138 4085 3202 3482 4544 4500 1 2574 3604 3683 3492 3238 2721 11033 1 1 4946 4733 5087 4892 1 1 2322 2720 1 1 1 1 6120 6410 1 1 3777 13879 13738 10403 9314 13105 15016 16446 4511 4356 12966 12601 1 1 3298 5172 12445 2078 538.2569 *538.2598* 538.2598@1.0406797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7117 16324 18424 1 1 1 1 1 1 1 1 351921 295905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14322 10099 1 1 1 1 1 1 1 1 538.2598 *538.2693* 538.2693@1.0912296 1 1 1 1 1 1 1 1 1 1 1 1 1 6255 1 1 1 1 1 1 1 1 4584 1 1 1 1 1 1 1 11719 4732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 3953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2693 *538.2748* 538.2748@1.0562806 1 1 6464 5066 1 1 1 9695 1 1 1 1 10699 1 1 1 1 1 4587 5157 1 5429 1 5998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 1 2622 1 1 1 1 1 1 1 1 1 3496 1 1 1 1 1 1 1 1 7022 1 1 1 1 1 1 1 7875 1 1 1 1 1 1 1 1 1 1 2436 1 1 23892 1 1 1 1 538.2748 *538.2872* 538.2872@1.0471174 1 1 1 1 2771 6751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2872 *538.3* 538.3@0.9438036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7936 4381 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4450 1 1 1 1 1 1 1 1 1 1 1 7511 8057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.3 *538.3087* 538.3087@0.92270863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.3087 *538.4182* 538.4182@1.1312021 1 1 1 1 1 1 1 1 1 29799 1 1 1 24546 1 1 1 1 1 1 1 1 16382 1 11841 1 1 1 21043 30438 1 1 1 94055 6688 1 28237 1 1 1 1 1 1 1 11939 1 1 1 1 1 1 23275 1 23584 1 1 3364 1 23439 1 1 1 1 16904 3703 1 10960 1 1 1 1 1 1 11055 1 1 33238 31599 1 9057 1 13213 1 1 10838 1 129799 1 1 1 538.4182 *538.4214* C27 H59 Cl N4 O4 193933 306592 201649 196949 471601 517576 147233 258490 417619 706077 375539 693209 275220 255500 245040 240112 351829 196814 473797 486145 320251 349583 308844 575656 550029 325987 550453 548358 875591 857488 325616 337946 450494 361623 75124 118446 476992 490212 462008 293287 424889 701260 216228 222000 362948 351141 231172 411997 482658 471148 504454 478368 532090 508355 398357 459514 579099 590646 668182 707692 869819 613219 210872 194507 1045017 1040169 728822 423329 734408 382445 398058 395955 401258 388514 435366 303356 377699 380321 308284 311994 319555 477783 834494 857048 211764 221832 62704 193497 231064 231797 538.4214 *538.6911* 538.6911@1.0826329 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 1 1 5818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.6911 *538.6988* 538.6988@1.0828023 1 1 1 1 4789 6441 1 1 3175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5081 1 1 5229 1 1 1 2506 3347 1 1 1 1 1 1 1 4950 1 1 2817 2766 1 2245 1 1 1 1 1 8285 2023 1563 1 5721 1 1 5894 1 1 1 1672 1 1 1 1 1 1641 1 1 3235 1 1 1 1 6543 3857 1 1 1 1 1 1 538.6988 *538.7099* 538.7099@1.0793903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.7099 *538.7947* 538.7947@1.0812745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.7947 *538.8313* 538.8313@1.0816699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.8313 *538.8388* 538.8388@1.0775529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.8388 *539.0603* 539.0603@1.0878003 1 1 1 1 3037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3470 1 3064 1 1 1 1 3946 1 1 1 1 1 1 1 1 1 1 1 5978 1 1 1 1 4733 1 1 1 4574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3781 539.0603 *539.1501* 539.1501@1.4836189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7373 7585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7234 7590 1 1 1 1 1 1 10730 10238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14881 14489 1 1 539.1501 *539.3198* 539.3198@6.4494214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5153 5612 1 2815 1 1 1 1 4132 4227 1 1 1 1 1 1 1 1 1 1 4032 4087 1 1 1 1 1 3134 3958 3949 1 1 1 1 1 1 1 1 1 1 4084 3835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7521 7278 1 1 539.3198 *539.3199* C24 H37 N13 O2 32380 32147 36488 35864 30688 30633 23631 23789 26857 26215 29331 29438 39223 38650 32735 32045 24820 25216 38210 38658 42364 40314 42102 43124 38690 39579 33158 32374 32427 32600 70706 71612 37339 37428 29134 29943 31740 32832 53023 53257 36975 37844 40929 40794 26819 25229 32504 31992 34212 33694 51555 51050 19882 20194 29205 29374 42507 43633 51928 52388 27981 28545 20903 21641 32246 32041 31937 32643 33853 33850 48680 50646 30614 29366 22538 22523 31496 32839 31353 33313 34848 34141 23330 23749 42913 43079 94606 95715 24630 23583 539.3199 *539.423* 539.423@1.1249404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6303 1 1 1 1 1 1 1 1 1 539.423 *539.7044* 539.7044@1.0823796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.7044 *539.7576* 539.7576@1.0963937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.7576 *540.061* 540.061@1.0857736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.061 *540.1801* 540.1801@2.9891815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1801 *540.1995* 540.1995@3.4032197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6574 7985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1995 *540.2357* 540.2357@1.0342635 15555 15015 5814 6778 1 1 10408 8888 1 1 1 1 14922 14241 8825 9327 1 3511 1 1 1 1 1 1 10688 12190 1 1 1 1 1 1 1 1 3756 4324 7499 7131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8549 8019 1 1 7330 8125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.2357 *540.2429* 540.2429@3.546092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.2429 *540.2432* 540.2432@1.0331321 1 1 1 1 1 1 1 1 2646 3407 8417 8328 1 1 1 1 1 1 1 1 1 1 11076 11607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 5853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.2432 *540.252* 540.252@1.0518994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.252 *540.2541* 17-alpha, 21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide 1 1 1 1 1 1 1 1 6267 7164 10835 11791 1 1 1 1 1 1 1 1 1 1 7437 7197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21682 22265 1 1 1 1 45417 47607 1 1 1 1 11857 14369 1 1 6003 6412 23581 22297 1 1 28793 27833 1 1 1 1 7509 12402 11409 11099 1 1 1 1 4995 1 1 1 1 1 20534 21245 20424 23307 85096 81138 17730 15682 1 1 540.2541 *540.2549* 540.2549@4.7053003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2985 1 1 1 1 13488 12590 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 5218 5633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3951 3000 1 7943 1 1 1 1 540.2549 *540.2551* 540.2551@5.324956 1 1 1 1 1 1 5662 5426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 4025 1 1 1 1 540.2551 *540.2661* 540.2661@1.0452776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18832 14157 1 1 1 1 1 41372 45374 1 1 1 1 1 1 1 4591 1 1 1 1 12652 19649 1 1 4079 3516 1 1 1 1 1 1 1 1 1 1 1 1 19146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.2661 *540.2737* 540.2737@1.0596746 1 1 3701 3144 1 1 1 1 1 1 1 1 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42919 1 1 1 1 1 1 1 1 1 1 1 1 1 20970 52642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27203 26933 76968 17156 2488 1 1 1 1 17776 3101 1 20214 16152 1 1 1 1 1 1 1 1 1 1 1 540.2737 *540.2931* 540.2931@1.0177004 4501 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3506 3297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.2931 *540.3104* 540.3104@1.2001536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4535 5659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.3104 *540.4359* C39 H56 O 116393 1 1 5047 374482 377158 5969 1 326368 10429 9819 1 1 1 144472 200406 1 111029 7623 1 10147 1 240116 1 7222 14577 1 1 1 8524 402251 12690 458135 431438 53442 1 274694 294133 11366 183578 12758 11539 1 1 335011 368060 183145 1 278742 12470 355582 352780 1 1 11404 11205 615659 634245 10577 1 9083 260158 1 7910 16188 27026 1 16166 1 343080 1 1 1 1 10445 8841 416250 13418 13491 274698 180796 15601 1 1 132619 6953 9801 210135 206147 11403 540.4359 *540.4361* 540.4361@1.0743004 1 1 1 1 1 1 74331 1 1 1 311279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231512 1 1 1 1 1 400399 1 1 1 1 1 1 1 1 281496 1 1 1 1 1 1 1 1 363199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215890 1 1 1 1 1 1 1 137128 1 401969 252044 1 1 1 1 1 1 125862 200861 1 1 136006 540.4361 *540.7046* 540.7046@1.0793185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.7046 *540.722* 540.722@1.0820386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 1898 1 1 1 1 1 1 1 1 1 1 1 1 540.722 *540.8073* 540.8073@1.0855594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.8073 *540.8292* 540.8292@1.0807672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.8292 *540.8581* 540.8581@1.0782439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.8581 *541.2187* 541.2187@1.4904017 1 3594 3300 2461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.2187 *541.2201* 541.2201@1.53334 10078 6810 5905 5368 7862 1 1 1 7775 8343 1 1 1 5126 1 1 1 1 1 1 1 1 1 1 1 1 5465 1 1 7231 6266 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8367 1 1 1 1 1 1 1 1 541.2201 *541.2237* 541.2237@1.5244464 1 1 1 1 1 1 1 8662 1 1 1 6931 1 1 1 1 1 1 3611 8805 1 7036 1 8456 1 1 1 1 1 1 1 1 1 8173 1 7428 1 2328 4406 1 5096 1 1 8158 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 6461 1 6921 7582 1 1 6136 1 1 1 1 1 1 1 1 6110 1 1 1 1 1 1 541.2237 *541.2463* 541.2463@1.5450554 1 1 1 1 1 1 1 1 1 1 18553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 1 541.2463 *541.2538* 541.2538@1.5443622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4427 1 541.2538 *541.2573* 541.2573@1.4886347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3353 1 541.2573 *541.2661* C37 H35 N O3 1 1 1 1 1 1 6477 11278 1 1 1 4916 1 1 1 1 15305 14645 6692 6805 4254 5688 2127 2009 3294 3678 1 1 3581 3277 1 1 18664 17810 3487 3245 6890 10149 5379 7486 12862 8193 2869 3226 4893 3808 2880 2813 1 1 4735 4753 4980 4887 6505 5741 4439 4782 12178 16375 12854 14452 5925 10929 26574 24156 2816 3171 4403 3715 8125 7349 2655 2473 7182 12676 1806 2195 6948 7472 3019 2928 3202 3633 4966 6168 1572 1 22840 25389 541.2661 *541.2664* 541.2664@1.4049866 1 1 1 1 1 1 1 6511 1 1 1 1 1 1 1 1 7121 5093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9620 10290 1 1 5148 6544 1 1 6824 9274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7192 7187 7842 10184 6623 7145 14609 15520 1 1 1 1 1 1 1 1 7316 7331 1 1 1 5927 1 1 1 1 1 1 1 1 18527 18069 541.2664 *541.3354* 541.3354@6.6035094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5300 1 1 1 541.3354 *541.3359* C27 H47 N3 O8 40643 52384 37679 38222 38853 37809 47608 35028 62855 62963 35272 45802 40079 39025 35563 46741 19211 19724 49126 49351 53533 52641 39652 53651 26755 36241 42675 56398 46761 59418 55966 54516 69606 52312 26827 27652 59467 46634 88330 84920 49059 50107 45508 59073 35797 37329 49988 52261 39126 37784 69156 53380 23763 24129 39030 38343 51595 53040 70227 73619 32273 32478 16903 16478 44578 45001 31807 30527 48628 50356 45589 45012 31773 31862 23666 23645 30492 30679 65944 52411 42346 41838 34599 34540 87332 65066 90740 116513 26836 26231 541.3359 *541.3376* GPEtn(18:0/0:0) 673579 674851 655187 656277 663339 673989 757329 745040 737539 745385 649868 649971 758838 755935 892634 879690 474035 479708 1311310 1312089 908386 915928 876654 882794 696780 708662 887324 870286 1080670 1090570 921460 943879 927466 935644 462009 466145 708466 715598 1014166 1009784 941087 959663 785046 787575 679788 679894 856377 847912 730699 712048 943490 939276 468717 463183 695486 691231 956412 961694 1243307 1256591 555205 550562 288707 291362 743393 745779 616307 613109 815167 819341 753991 744349 560340 563894 412445 409065 574379 584300 818304 846656 796533 789486 637649 640163 1094419 1095059 1471494 1477205 501640 493918 541.3376 *541.4399* 541.4399@1.0807627 1 1 1 1 1 1 35438 1 1 1 1 1 1 1 60973 1 1 46658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12706 1 1 1 1 1 1 1 1 1 1 1 1 111183 1 1 1 1 1 56419 1 1 1 1 1 1 1 2212 1 1 1 1 93181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59716 541.4399 *541.5297* 541.5297@6.505544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.5297 *541.6083* 541.6083@6.5072465 1 1 5806 1 1 1 1 1 1 1 1 1 1 4941 1 1 1 2377 1 1 1 1 1 1 4552 1 1 1 1 1 1 1 1 1 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.6083 *541.6108* 541.6108@6.5060186 1 3096 1 3198 4075 1 1 1 1 4563 3109 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 5724 1 1 2856 1 1 4396 1 1 1 1 1 3001 1 1 1 1 4253 3700 1 1 1 1 2862 2725 1 1 3852 4270 1 1 1 1 1 1 1 1 1 1 1 3820 541.6108 *541.7036* 541.7036@6.523397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 541.7036 *541.7148* 541.7148@6.49719 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.7148 *541.7355* 541.7355@6.508291 1 1 3135 1 1 1 1 1 1 1 3458 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.7355 *541.7461* 541.7461@6.5113287 1 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 1 1 1 1248 1 1 1 1 1 541.7461 *541.7602* 541.7602@6.5098643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.7602 *541.769* 541.769@6.509171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.769 *541.8149* 541.8149@6.505964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5255 1 1 1 1 1 1 1 2633 1 1 1 1 1 1 1 1 1 1 3708 1 1 1 1322 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2361 1 1 1 1 1 6861 1 1 1 541.8149 *541.8225* 541.8225@6.5099154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.8225 *541.8364* 541.8364@6.5061107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.8364 *541.8947* 541.8947@6.511059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 1 1 1 3353 1976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.8947 *541.9074* 541.9074@6.514347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9074 *541.9243* 541.9243@6.5098805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 1 1 1 1 1 1 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9243 *541.9363* 541.9363@6.5034184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9363 *541.9523* 541.9523@6.506789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 541.9523 *541.9726* 541.9726@6.512104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 3728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9726 *541.9997* 541.9997@6.5106134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9997 *542.0132* C20 H18 N2 O10 S3 1 1 1 1 1 1 1 1 1 1 11565 11672 11748 11615 1 1 2854 3036 7258 6792 1 1 1 1 1 1 1 1 2939 3609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 10687 10632 1 1 1 1 2979 3007 1 1 18143 18974 1 1 1 1 24199 25395 1 1 1 1 1 1 3263 3828 1 1 1 1 8181 8488 1 1 29564 29432 1 1 1 1 1 1 542.0132 *542.0231* 542.0231@6.5087337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.0231 *542.039* 542.039@6.513891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.039 *542.0541* 542.0541@6.515177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.0541 *542.0982* 542.0982@6.514225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.0982 *542.1114* 542.1114@6.5095005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 542.1114 *542.1188* 542.1188@6.507091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.1188 *542.1266* 542.1266@6.5007944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3109 1 1 1 542.1266 *542.1371* 542.1371@6.5028462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.1371 *542.1471* 542.1471@6.502408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1634 1 1 542.1471 *542.1616* 542.1616@0.86540127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3654 3871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.1616 *542.231* 542.231@1.6321087 10031 1 1 1 1 5291 1 1 1 1 5552 1 1 1 1 7702 1 1 1 1 5437 1 7112 7092 1 6800 1 6635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7911 6396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7584 7443 1 1 1 1 7313 1 1 1 542.231 *542.231* 542.231@0.8363513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10353 9797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.231 *542.2411* 542.2411@1.6290185 1 1 1 1 1 1 6033 1 1 1 1 7391 1 1 1 1 1 1 8785 9422 2353 8903 1 1 7155 1 1 1 1 1 1 1 1 1 1 1 7406 5064 8502 9048 1 6531 1 1 6891 8316 1 1 1 1 1 1 5366 1 1 1 7318 7890 1 1 1 1 1 1 1 1 1 1 1 4928 8569 7770 1 1 1 1 1 1 5814 6540 1 1 1 6938 10604 7328 1 1 1 1 542.2411 *542.2496* 542.2496@1.6175451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.2496 *542.2673* Leukotriene D4 130990 129948 10629 5231 1 195885 196939 195815 92838 38615 199619 198795 86860 148280 212370 154517 85976 88722 136040 138269 154028 148131 1 187115 204442 205756 187958 5987 1 224525 1 1 1 1 49082 72597 148076 152587 1 1 1 194377 126947 120709 1 1 1 216739 188117 186510 197138 190828 5864 1 147441 144296 1 1 4515 44749 1 1 135316 137139 1 1 1 1 1 195719 1 212658 96578 1 1 160991 1 1 1 1 176288 171362 205174 1 1 1 60201 1 133294 87473 HMDB03080 C05951 542.2673 *542.2694* 542.2694@5.295537 1 1 1 1 1 1 7577 7172 1 1 1 1 1 1 1 1 1 1 3785 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5030 4775 542.2694 *542.271* 542.271@1.0488682 1 1 1 30710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189479 1 1 1 3883 184791 220156 1 1 1 1 1 1 1 1 1 1 1 188504 1 1 1 1 1 1732 1 1 1 1 1 1 1 1 1 189479 191603 141596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63206 1 1 542.271 *542.3458* 542.3458@0.9754777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3632 3916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.3458 *542.379* 542.379@1.1544679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3743 1 1 1 1 1 1 542.379 *542.3832* 542.3832@1.1492978 1 1 1 1 1 1 1 1 1 5847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 6421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3985 1 1 1 1 1 1 1 542.3832 *542.3996* 542.3996@1.1446443 1 1 1 1 1 1 1 1 1 1 2686 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 6775 1 1 1 2506 1805 1 1 1 1 1 1 1 1 1 1 2186 1 1 1 1 1 1 1 1 1 1 1 3296 3340 1 1 1 1 1 1 4527 3531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.3996 *542.407* 542.407@1.1023865 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.407 *542.4235* 542.4235@1.0694666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.4235 *542.4381* 542.4381@1.074232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.4381 *542.5333* 542.5333@6.510026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.5333 *542.605* 542.605@6.509641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.605 *542.6198* 542.6198@6.5068207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2302 2322 1 1 1 1 1 1 3554 1 1 1 1 1 1 1 1 1 2672 1 1 1 1690 1 1 1 1 1 1 1 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 1 1 1 1 1 1 1 2324 1 1 1 1 3119 1 1 1 1 542.6198 *542.6282* 542.6282@6.5122023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.6282 *542.6589* 542.6589@6.5143566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.6589 *542.6976* 542.6976@6.5084715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3099 1 1 1 1 542.6976 *542.723* 542.723@6.5073967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 1 1156 1 1 1 542.723 *542.7306* 542.7306@6.5095277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.7306 *542.8307* 542.8307@6.51226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.8307 *542.9389* 542.9389@6.513258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.9389 *543.1546* 543.1546@2.0579882 1 1 1 1 1 1 1 1 1 1 1 1 2640 3053 6205 5692 1 1 1 1 1 1 1 1 4131 4613 1 1 1 1 1 1 1 1 1 1 3299 3332 1 1 4777 4888 1 1 1 1 1 1 3363 2917 1 1 2882 2944 1 1 1 2947 1 1 3280 1 1 1 1 1 1 1 3229 3025 1 1 1 1 2892 2517 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 543.1546 *543.1567* 543.1567@0.8669373 1 1 1 1 1 1 1 1 3083 3664 1 1 1 1 1 1 1 1 1 1 1 1 5353 4947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4950 5435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2768 2661 2588 1 1 1 1 1 1 1 1 1 1 1 4227 3698 1 1 1 1 543.1567 *543.2136* 543.2136@0.9933547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.2136 *543.2228* 543.2228@0.99915045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 3603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6310 1 1 1 2389 1 1 1 1 1 1 1 543.2228 *543.2271* 543.2271@1.0143282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3940 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.2271 *543.265* 543.265@3.302272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6147 7118 1 1 1 1 1 1 1 1 1 1 1 1 5693 1 10085 9532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.265 *543.272* 543.272@1.0527724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5201 1 1 1 1 543.272 *543.3414* 543.3414@6.412216 2217 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 1 2940 2583 2644 1 1 1 1 1 1 1 1 1 3066 3479 1 2515 1 1 1 2502 1 1 2606 2709 2454 1 1 1 2809 2612 1 2332 1 2675 1 1 1 1 2896 3097 1 1 1 1 1 1 2374 2428 1 1 2464 1 2481 1 1 1 1 1 1 1 1 2920 2223 1 1877 1 1 3729 1 1 1 1 543.3414 *543.3982* 543.3982@1.0949795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2038 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.3982 *543.443* 543.443@1.0669986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2657 1 2847 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.443 *543.7185* 543.7185@0.9974525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4148 4631 1 1 1 1 1 1 1 1 1 1 543.7185 *544.0209* 544.0209@5.5095596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 544.0209 *544.119* 544.119@3.2341628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17297 18319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.119 *544.1221* 544.1221@2.3079157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13577 1 1 1 1 544.1221 *544.1515* C30 H21 Cl N8 O 7702 8253 4513 4151 5620 6743 1 1 8853 8688 5272 5996 8690 9632 22647 22192 7008 6859 7582 8240 6725 6331 6645 6871 14826 15679 5135 5404 7610 7768 6603 5964 1 1 1 1 12480 11975 7117 7599 17588 17413 1 1 1 1 7355 7704 10043 9642 6712 6960 10640 10710 7825 8448 10571 10333 6727 6087 10009 9768 7661 8058 1 1 1 4181 10727 11539 6218 6359 1 1 8800 8960 7823 7286 5404 6372 8286 8693 1 1 1 1 10285 9993 1 1 544.1515 *544.1519* 544.1519@2.9566875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26220 27640 1 1 1 1 544.1519 *544.2099* 544.2099@3.0035567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34216 32231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.2099 *544.2284* 544.2284@0.9983818 1 1 1 1 1 1 1 1 2501 2651 1 1 1 1 1 1 1 1 1 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 544.2284 *544.2723* 544.2723@1.0541818 1 1 33794 1 238260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106279 229344 218330 1 1 1 1 1 1 1 1 1 1 241028 1 199109 1 1 1 1 1 207502 207887 1 1 1 1 1 1 186222 185284 1 1 221077 174760 412342 405578 253541 1 195741 1 1 177209 188776 1 268071 295331 202306 1 1 1 1 252252 1 214508 1 1 1 1 544.2723 *544.2821* 544.2821@0.7110949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 1 6502 6513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.2821 *544.3262* 544.3262@1.115499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 5111 3879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.3262 *544.3367* 544.3367@1.1201707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.3367 *544.3434* 544.3434@1.1109943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.3434 *544.3728* 544.3728@1.1029832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10775 9919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.3728 *544.3844* 544.3844@1.1557286 1 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 1 1 1 1 544.3844 *544.3916* 544.3916@1.1546521 1 1 1 1 1 2324 1 1 2737 1 2811 1 1 1 1 1 1 1 3111 2369 1 1 2821 1 1 1 1438 1 1 4915 1 1 3835 1 1 1 1 2636 1 2660 3168 2367 1 1 2801 1 1 1 8307 1 2290 2077 1 1 1 1 1 1 4437 3505 1 2770 1 1 1 2105 2459 2602 1 1583 1 1 1 1 1 1 2291 3061 1 1 1 1 10665 9978 1785 1 1 1 3126 3879 544.3916 *544.399* 544.399@1.0641496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.399 *544.4026* C36 H52 N2 O2 5118 6087 1 9860 8814 9573 4902 34008 6235 6618 5516 1 2869 4362 5327 4679 3487 1 5610 6373 5425 6101 8983 9370 8604 8451 6535 6027 11692 11183 6985 19391 1 4897 1 3041 9661 8748 9957 9926 6803 7302 3867 4692 10963 11530 6995 7182 4521 4175 12525 12366 7937 7017 6495 6412 32020 9424 7670 7614 8972 8404 2743 3486 12824 13156 1 7856 8537 7067 5816 4871 4896 5351 6296 6776 8642 10430 8445 9009 6264 6226 4719 5929 9539 8311 6211 6228 4695 3990 544.4026 *545.0829* 545.0829@1.0364463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8326 3248 1 1 1 1 1 1 1 1 1 1 1 1 545.0829 *545.1715* 545.1715@0.8925142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.1715 *545.2403* 545.2403@0.8207058 10745 11006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5975 5771 1 1 1 1 1 1 1 1 545.2403 *545.2695* 545.2695@5.4295893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3364 3304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.2695 *545.2757* 545.2757@1.0588441 1 1 1 8033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8603 1 1 1 1 1 1 1 8023 7886 1 1 1 1 1 9419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9045 1 1 1 1 10334 1 1702 1 1 1 545.2757 *546.011* 546.011@1.1475635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4790 3331 1 1 1 1 1 1 1 1 1 1 546.011 *546.211* 546.211@1.1698991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5748 5766 1 1 4614 4355 1 1 1 1 4087 4025 1 1 3222 3782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5088 4860 1 1 1 1 1 1 1 1 1 1 4894 5145 1 1 1 1 1 1 1 1 4350 1 1 1 1 1 1 1 1 1 546.211 *546.2812* 546.2812@1.074989 1 1 42406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.2812 *546.2831* 546.2831@1.0633765 1 1 19145 184202 1 1 1 1 1 150409 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181301 1 1 1 1 1 1 1 153067 151394 1 1 1 1762 1 192744 1 1 1 1 1 1 1 1 1 1 1 1 1 51993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177722 1 1 1 1 168932 1 1 1 1 1 546.2831 *546.3204* 546.3204@0.8173348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6658 6480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3204 *546.3327* 546.3327@1.1279714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3327 *546.3443* 546.3443@1.1270366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3443 *546.3493* 546.3493@1.123409 1 1 1 1 1 1 1 1 1 1 5208 1 1 1 1 1 2734 1 1 1 1 1 1 1 1 1 1 1 4490 4983 1 1 1 1 1 1 1 1 2599 1 1 2706 1 1 1 2092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3493 *546.371* 546.371@1.1138754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4237 1 1 1 1 1 4398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 546.371 *546.3842* 546.3842@1.1159309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9123 1 1 1 1 6297 1 1 1 1 1 1 1 1 1 1 1 1 2140 1 1 1 1 16153 3014 1 1 1 1 1 1 1 12486 16195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3842 *546.4218* C25 H54 N8 O5 36770 49108 11166 1 107171 108513 62062 2257 80404 50152 91543 59753 45555 45870 58840 18706 33244 34113 81923 63887 50427 51767 97883 59811 68552 2938 25218 50144 88313 138474 82897 62483 75635 104968 17691 27034 65508 139740 76496 93160 45876 73701 26094 44172 102019 100501 67016 69055 56648 74402 151641 47114 61833 2785 67846 65024 147799 91294 5488 65287 74318 73703 32639 32462 105917 148563 92623 109821 114558 88837 47902 46595 18365 45012 50460 66510 136919 117780 81555 82625 69678 40228 64238 63227 76000 79439 70349 70863 26489 36011 546.4218 *546.4236* 546.4236@1.0570728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59480 1 1 1 1 91660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.4236 *547.0797* 547.0797@1.03359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3760 1 1 1 1 1 1 1 1 1 1 1 1 547.0797 *547.1154* 547.1154@0.86082876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4223 4448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.1154 *547.2849* 547.2849@1.0656966 1 1 1 1 1 1 1 1 1 1 1 1 13450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10078 11482 1 1 547.2849 *547.3673* 547.3673@1.1115236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.3673 *547.3838* 547.3838@1.1062615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1518 1 1 1 1 1 3348 1 1 1 1 1 1 1 1 1 1 2403 1697 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 3235 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 1683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.3838 *547.4189* 547.4189@1.0712186 1 1 1 2630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.4189 *548.1126* 548.1126@2.8386335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39594 39092 1 1 1 1 548.1126 *548.1144* 548.1144@2.706059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24364 23160 1 1 1 1 548.1144 *548.2782* 548.2782@0.87961745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18870 18330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.2782 *548.2953* 548.2953@1.0551615 1 1 143325 1 1 1 1 1 120467 1 1 1 111944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141864 1 1 24686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61727 1 1 1 1 1 1 1 1 1 1 1 1 107543 1 1 1 1 1 1 1 1 1 1 1 1 1 81672 83559 1 113364 548.2953 *548.3589* 548.3589@1.119425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 2020 1 1 1 1 1 1 1 1 5471 5952 6110 3857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.3589 *548.3698* 548.3698@1.1153414 4152 3585 1 1 1985 1 1 1 4818 1 8009 7796 1 1 1 1 1 1 2384 3992 1 1 8222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4761 4145 6686 4533 1 1 1 7330 1 1 4681 2699 1 1 19645 3327 2912 1 1 1 1 1 1 1 1 1 1 1 1 6194 1 5620 1 18570 4191 2989 1 1 1 1 1 1 4910 3344 5153 6821 1 1 1 1718 1 1 548.3698 *548.3807* 548.3807@1.1129286 1 1 1 1 1 5618 1 1 1 6553 1 1 1 1 1 1 22102 1 1 1 2501 1 1 4768 1 1 1 1 9888 11046 22238 4957 1 1 1 1 1 1 1 1 1 1 1 1 39726 1 2721 1 1 1 2689 1 1 1 1 1 1 1 4057 1 1 50917 1 1 1 1 1 1 20812 1 1 1 1 1 1 1 22553 4728 2774 4792 1 1 1 1 20226 5443 1 1 1 1 548.3807 *548.3934* 548.3934@1.1063191 1 1 1 1 4066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8372 1 1 22351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40169 1 1 1 1 10471 12197 1 3519 24182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.3934 *548.4356* 548.4356@1.0638009 1 1 13169 12855 1 1 1 1 1 1 1 1 1 1 1 21388 1 1 1 1 1 1 1 1 1 1 54107 1 1 1 1 1 1 1 1 1 52601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.4356 *548.9168* 548.9168@1.0431358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.9168 *548.9257* 548.9257@1.0536382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 1 1 1 1 1 1 1 548.9257 *549.0637* 549.0637@1.147902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 6902 1 1 1 1 1 1 1 1 549.0637 *549.1203* 549.1203@1.1133925 1 14399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.1203 *549.1295* 549.1295@4.961832 1 1 1 1 1 1 3809 3647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.1295 *549.2166* 549.2166@2.0525842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.2166 *549.2178* 549.2178@1.9506605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20784 28525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.2178 *549.2995* C28 H47 N5 S3 12154 12456 1 1 1 19063 20130 19645 1 1 18437 19756 1 13784 1 17010 9471 9199 15058 14438 15267 14545 17706 18398 20304 20400 16864 17231 20375 21639 1 1 1 1 7768 7034 13739 14278 1 1 18276 19183 13013 12324 1 1 1 1 19561 18651 18726 18095 1 1 13978 14127 18509 19176 14355 1 1 1 13975 13449 1 15853 1 1 1 20514 1 1 1 1 1 14874 1 1 1 1 16610 17508 21205 1 1 1 1 1 14904 1 549.2995 *549.391* 549.391@1.1066499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.391 *549.3988* 549.3988@1.096217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.3988 *549.4069* 549.4069@1.0992113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.4069 *549.437* 549.437@1.0611048 1 1 1 1 1 1 1 5717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.437 *549.7721* C15 H Cl3 N4 O3 S5 4684 4954 2880 2917 3567 3691 3219 3242 3109 3459 4939 5296 3046 3079 3583 3440 3354 3442 3731 3693 3481 3259 3135 3375 4059 3625 3638 3380 3718 3544 3608 3785 4034 3935 4021 4044 3306 3326 3721 3631 3362 3368 2893 3038 2953 2918 2826 3087 2456 2496 2977 3174 3446 3251 2668 2562 3221 3229 3440 3770 4335 4530 4753 4659 3571 3170 3201 3210 2872 2790 4435 4486 3154 2968 3441 3292 2798 3088 3893 3768 3559 3242 4224 3785 3331 3536 3981 3780 3670 3576 549.7721 *550.0897* 550.0897@2.7155652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29209 27674 1 1 1 1 550.0897 *550.1322* 550.1322@3.6788259 1 1 1 1 1 1 9188 7893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.1322 *550.2931* 550.2931@0.9392766 1 1 1 1 8753 8911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21413 22521 17407 17103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40761 31651 1 1 34601 31960 1 1 1 1 1 1 1 1 1 1 1 1 550.2931 *550.2938* 550.2938@0.85157406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154358 155546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.2938 *550.3028* C21 H48 Cl2 N6 O6 40046 41605 1 1 1 57559 64337 63904 1 1 57195 61210 1 49586 1 56945 32259 32367 55458 56663 47529 44281 57071 58006 57499 60710 48628 48352 75447 77016 1 1 1 1 31435 24951 48241 50658 1 1 56510 57817 42303 40044 1 1 1 1 63443 62180 67502 66358 1 1 44889 42606 61856 57033 46952 45375 1 1 46129 44926 1 81646 1 1 1 62939 1 1 1 1 1 50954 1 1 1 1 59453 57634 66220 1 1 1 1 1 49072 1 550.3028 *550.3123* 550.3123@4.538725 1 1 1 1 22998 23234 1 1 7783 8081 18664 17878 1 1 6932 6682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.3123 *550.3716* 550.3716@1.102852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13328 1 1 1 1 1 10223 1 1 1 1 1 1 1 1 1 1 1 1 4203 1 1 1 1 1 1 1 1 7279 1 1 1 8038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10412 1 1 1 1 1 1 1 1 550.3716 *550.3887* 1alpha,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]-19-norvitamin D3 10260 6781 1 3842 1 15489 21082 5069 9242 14396 19618 18768 3705 4493 10812 1 1 1 1 13779 11112 1 17585 16443 15402 15858 15018 13176 1 32796 1 13742 1 9016 1 1 1 1 12197 13869 1 1 4809 1 1 1 9735 1 14725 14228 1 1 1 12621 8623 1 1 1 1 1 4149 1 4726 7141 1 1 1 26515 1 1 13325 1 11169 11713 12473 1 1 14590 1 1 10715 1 19203 17924 1 11657 4421 4445 9748 12122 550.3887 *550.396* 550.396@1.1078393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23263 1 1 1 59079 1 1 1 1 18160 1 1 68950 46307 1 1 1 40489 1 1 1 1 39538 1 1 1 1 1 82905 19515 1 9366 1 1 1 1 15669 44726 1 1 1 67251 1 1 1 1 1 1 1 1 23045 32797 1 1 1 1 1 1 1 1 1 1 550.396 *550.406* 550.406@1.1054821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.406 *550.4527* 550.4527@1.0505078 26934 1 9949 9756 1 1 1 24502 1 47718 1 63768 1 1 1 32732 1 1 1 1 1 1 1 40455 1 1 1 28378 96771 1 1 59113 62033 1 6563 1 82504 1 1 1 45987 1 8615 1 1 1 1 1 19953 1 1 61747 1 1 1 1 1 129317 1 68577 1 1 1 1 77893 1 1 1 1 1 1 1 20726 1 30427 1 1 1 1 1 1 29627 1 1 1 1 1 1 14436 1 550.4527 *550.774* 550.774@1.054339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.774 *550.9198* 550.9198@1.0381111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4906 1 1 1947 1 1 1 1 1 1 1 5679 2178 1 1 1 1 1 1 1 1 1 1 550.9198 *551.3059* 551.3059@1.0514857 1 1 1 24796 10639 1 1 1 1 17107 1 1 1 1 22152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11093 1 21122 21472 1 1 1 1 8681 8931 1 1 1 1 11833 11563 9396 10187 1 1 1 1 9832 17780 1 1 1 1 1 1 14003 15278 1 1 8715 1 16818 34941 21380 1 8754 9639 1 9188 8478 1 13587 1 17164 20854 1 1 1 22306 8908 9186 1 1 1 1 551.3059 *551.3797* 551.3797@1.1082647 1 1 1 1 1 1 1 1 3612 1 1 1 1 1 1 1 1 1 4150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.3797 *551.39* 551.39@1.1011426 1 1 1 1 4242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.39 *551.4108* 551.4108@1.0916834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.4108 *551.4482* 551.4482@1.0514035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.4482 *551.4555* C34 H65 N S2 1 4384 1 1 8007 7517 1 1 1 1 10554 1 4303 4481 6600 1 4007 1 5621 5844 5426 4910 1 1 5829 1 1 1 1 16579 9382 1 1 10300 1 1 1 13129 6282 6620 1 7460 3274 3553 9931 10692 6868 6787 7188 6528 1 1 4568 4681 6219 6812 20861 1 12364 1 5584 5037 1 1 1 14859 7852 1 1 10312 3225 1 1 4171 1 6682 11367 10870 8164 8244 5051 1 5575 5407 7264 7397 9176 9883 1 3381 551.4555 *551.7706* 551.7706@5.559246 1 2163 1 1 1 1 1 1 1 1 2296 2411 1 1 1 1 1 1 1 1641 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1 1 1 1 1 1 1 1 1 2269 2146 1 1 1 1 1 1 1681 1 1 1 1922 1 1 1 1 1 1 1 551.7706 *552.1668* 552.1668@3.6417313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4955 4430 1 1 1 1 552.1668 *552.286* 552.286@1.0425247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.286 *552.3029* 552.3029@1.1504811 1 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 552.3029 *552.3081* 2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-CARBOXYLIC ACID 4757 5969 10510 11078 14245 21556 1 1 5605 1 16385 15970 1 1 7020 7077 1 1 16408 15615 15028 13052 49685 50933 6762 6837 17462 18052 25342 26822 69761 70945 1 1 19615 19028 1 1 1 1 1 1 17731 18276 1 1 1 1 6999 5953 5624 6806 1 1 11928 12723 1 1 1 1 10155 9213 10830 10616 7623 9575 58869 59472 6128 6522 12628 12561 1 12732 6573 7459 1 1 1 1 1 1 6658 6729 7428 7507 1 1 9730 11569 552.3081 *552.3969* 552.3969@1.1450307 1 4229 1 1 11942 1 1 1 1 1 1 1 1 1 1 6066 1 3394 1 1 1 1 5966 1 5988 1 9103 9094 7227 1 1 1 1 1 1 1 1 1 5989 1 1 1 6623 5023 1 1 1 1 1 1 1938 1 8102 11780 1 1 1 1 1 1 13046 1 1 1 4927 1 1 1 1 1 3623 1 1 1 2924 2438 1 1 1 1 1 2746 1 1 1 1 1 1 16759 3055 552.3969 *552.3996* (20R)-24-Hydroxy-19-norgeminivitamin D3 32934 27022 26882 27202 46265 15411 1 15043 17407 16856 27649 72055 25335 9901 36872 30053 3204 35843 48883 15234 15928 32987 40256 68349 66583 7037 13088 41918 103045 30748 20459 12977 8531 1 11421 11385 53476 15731 17356 49319 1 1 8351 20485 1 1 31157 32321 61811 21915 1 1931 48201 46484 8873 55857 1 23751 1 52658 68251 1 24215 15147 74953 15111 61001 101427 12090 1 49567 12473 19889 31279 32308 28195 52947 13594 7992 1 38610 18020 97661 52816 28197 27305 1 1 5429 38312 552.3996 *552.4123* 552.4123@1.0889668 1 1 1 1 1 43541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48001 1 1 2557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31878 1 1 1 1 1 1 1 1 1 1 1 26323 1 17459 1 1 5837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26547 8577 1 1 552.4123 *552.4414* 552.4414@1.046442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.4414 *552.4558* C34 H64 O3 S 1 8158 1 1 13432 13571 1 1 1 1 1 1 6026 6998 1 1 1 1 8570 7900 9809 10410 1 1 7723 1 1 1 1 1 1 1 1 1 1 1 1 1 9464 9689 1 1 3799 4740 20722 1 13237 1 13585 12144 1 1 6632 6238 1 11358 1 1 1 1 1 6788 2896 3282 1 1 12041 1 1 22656 1 3744 1 7305 1 8930 1 18562 1 15422 1 1 6352 1 10683 10479 1 1 1 1 552.4558 *552.4667* 552.4667@1.0457255 1 1 1 1 1 1 1 1 16639 1 21415 1 1 1 13129 1 7880 7116 1 1 1 1 1 1 1 1 1 1 1 32004 24632 1 1 22586 1 1 1 27763 1 1 1 17814 1 1 1 21116 1 11072 1 1 1 1 1 1 9683 1 48270 1 24253 1 4056 1 1 1 1 21236 1 1 1 1 1 1 1 1 1 1 19429 1 12739 1 9820 1 1 6776 1 1 22210 20199 1 2820 552.4667 *552.9245* 552.9245@1.0369558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 1 1 1 552.9245 *553.083* 553.083@0.8250872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 2594 1 1 553.083 *553.0939* 553.0939@1.132617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4616 4608 1 1 1 1 553.0939 *553.129* 553.129@1.2016977 2451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8293 8132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3682 3610 1 1 553.129 *553.1829* 553.1829@3.6507282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6812 6780 1 1 1 1 553.1829 *553.2942* 553.2942@1.0448833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 2439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.2942 *553.3096* 553.3096@0.9972824 1 1 1 1 6028 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3267 1 1 1 1 2363 1 1 1 1 1 1 1 1 1 1 1 1 553.3096 *553.3372* 553.3372@6.4988394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3525 3898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4434 4116 1 1 553.3372 *553.368* 553.368@1.1380337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 3547 1 1 1 1 553.368 *553.3704* C41 H47 N 2385 3143 3942 4147 3412 3344 4129 3975 4006 4650 4001 4642 3444 3180 5719 5714 1 1 7761 9053 4109 4118 2794 1 4248 4020 5519 5364 7627 7326 6207 5865 3197 3975 1 1 3050 2932 4975 4213 7580 6562 1 1 4593 4852 4062 4564 1 1 4953 4170 1 1 4511 4083 5691 6393 7071 6521 1 1 1 1 1 1 3286 3792 3820 3685 4547 5296 3491 3595 1 1 3342 3500 9035 7641 4119 3960 2493 1 6546 5976 6153 6553 2265 1 553.3704 *553.3875* 553.3875@1.1361525 1 1 1 1 1 1 1 1 1 1 2343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6143 2075 1 1 1 1 1 1 2556 1 1 1 1 1 1819 1 1 1 1 5782 3466 1 1 1 1 1 1 5216 1 1 1 1 1 1 1 1 1 1 2564 1 3817 1 1 1 1 1 1 1 1 1 1 1 1 553.3875 *553.4* 553.4@1.1195965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.4 *553.4014* 553.4014@1.106875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.4014 *553.4129* 553.4129@1.0946296 1 1 1 1 1 1 1 1 3296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9233 1 1 1 1 1 1 6028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.4129 *553.4648* 553.4648@1.0462182 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 3361 1 1 1 1 1 1 3230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.4648 *553.8636* 553.8636@5.524134 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 553.8636 *554.0564* 554.0564@0.9943449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.0564 *554.0993* 554.0993@0.81469893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10772 10724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15766 13804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3232 4038 1 1 1 1 1 1 1 1 1 1 14003 8705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.0993 *554.1227* 554.1227@1.9226054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9825 10669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.1227 *554.2279* 554.2279@1.1593894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.2279 *554.2837* 554.2837@1.0916443 46348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.2837 *554.2906* 554.2906@0.8148329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4467 4146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.2906 *554.292* C16 H45 Cl3 N14 O 1 47850 1 1 1 1 66420 84399 38515 38999 79394 61969 46398 47452 1 44020 1 39823 40563 51179 68824 69374 59232 60621 69019 54853 1 1 54207 55667 11990 12564 42429 1 1 26767 78514 80709 1 1 58605 1 1 35972 1 1 1 1 36095 34288 77689 75836 1 64147 46112 47017 43837 29344 40113 40192 37058 36119 37438 39630 1 1 1 73614 65282 60939 1 1 39531 1 1 52625 1 1 49341 1 50285 49200 55682 65250 1 1 50267 49274 45723 33761 554.292 *554.2943* 554.2943@1.0563383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.2943 *554.3922* 554.3922@1.1594039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.3922 *554.4099* 554.4099@1.1296023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.4099 *554.4128* C29 H50 N10 O 1 1 1 1 5122 10263 15206 19320 34357 29745 15957 8883 1 14957 6431 6761 13986 1 1 24517 11030 1 33103 1 1 33836 13520 1 1 36069 33411 1 25731 13120 7308 7663 1 28070 19256 12126 1 44178 11737 3605 29971 4134 1 1 1 57776 20895 11523 1 1 1 1 1 79437 32266 1 1 52443 5533 7150 13382 58414 1 12146 38085 1 1 34082 25450 1 13095 1 1 21332 26832 15664 1 17298 1 19399 1 1 1 1 38808 7714 554.4128 *554.4236* 554.4236@1.0833547 1 6488 1 1 1 1 1 1 16884 16281 23578 1 1 5704 1 1 1 1 1 13649 1 9652 1 1 1 1 7931 1 1 23459 1 1 31770 1 1 1 1 1 1 1 1 1 3252 1 1 26059 1 1 1 1 3890 22962 1 1 1 1 1 1 1 1 1 1 1 1 1 30854 1 1 1 1 1 1 6101 5060 1 6176 1 1 1 13803 1 19071 1 1 1 1 1 15944 1 1 554.4236 *554.4308* 554.4308@1.0654047 1 1 1 1 1 1 5494 4495 1 1 1 1 1 1 1 1 22769 5231 1 1 6265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14478 16786 1 1 8157 1 1 1 19900 19248 9046 6589 1 1 16107 14544 1 1 5765 1 27470 28021 12967 16535 1 1 1 1 1 1 1 1 15702 10521 1 1 1 1 1 1 13613 9763 1 1 6954 1 1 1 15569 14233 1 1 1 1 554.4308 *554.4426* 554.4426@1.0570188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 1 1 554.4426 *555.0967* 555.0967@0.86559933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 2374 2335 1 1 1 1 1 2307 2570 1 1 3183 2942 1 1 1 1 1 1 1 1 2459 2564 1 1 1 1 1 1 1 1 1 2447 1 1 3255 3641 1 1 1 1 1 1 1 1 1 1 1 1 2603 2387 1 1 1 1 1 1 1 1 1 1 3070 3440 1 1 1 1 1 1 555.0967 *555.1298* 555.1298@1.2064292 2548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.1298 *555.2331* 555.2331@1.523941 9507 1 1 1 6984 1 1 1 1 1 2777 1 1 1 1 1 1 1 1 1 1 3979 1 1 1 1 1 3311 4618 1 1 1 3014 1 1 1 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.2331 *555.2338* 555.2338@1.5287067 3187 14016 1 1 3026 1 1 9225 8219 1 2612 3730 8155 1 1 1 1 1 5844 1 1 6413 7410 3679 7424 7979 8976 6938 4094 8668 1 1 6329 8498 12601 7952 8067 11164 8942 5256 9286 1 4216 8342 1 1 1 1 6674 1 1 1 1 1 1 1 1 4699 1 1 1 1 1 1 1 1 1 1 1 1 5337 1 1 1 1 1 1 1 1 1 9296 3477 1 1 1 1 1 1 1 1 555.2338 *555.2383* 555.2383@1.4874696 1 1 1 1 1 1 1 1 1 1 3984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.2383 *555.2663* 555.2663@1.5903736 1 1 1 1 1 1 1 1 1 1 2553 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10870 9247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 555.2663 *555.2826* 555.2826@1.6438049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4010 4170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22770 13735 1 1 3079 3125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.2826 *555.2952* 555.2952@1.0423397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.2952 *555.3497* C25 H49 N9 O S2 7928 7630 11402 11951 10210 9873 16774 16280 13342 12856 11742 12436 9897 9336 13914 13769 5531 5991 16910 15917 12938 13351 11471 11014 9529 9362 15500 14020 15599 15127 15961 16606 15327 13744 7948 7884 9164 9222 11800 11873 13816 13312 11900 11949 8606 8432 14970 13199 14794 14679 12619 14652 7111 7809 10246 10026 14079 14824 16262 17224 9050 8761 4419 4321 8379 8552 8104 7522 11904 12025 11613 11701 7580 7494 7326 6794 10196 11125 13716 13695 8974 8869 9152 9402 16047 15474 23141 20931 8092 7767 555.3497 *555.3573* 555.3573@6.51516 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 1 1 1 1 1 1 1 3242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.3573 *555.386* 555.386@2.2800279 1 1 1 1 1 1 7637 7273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.386 *555.3876* 555.3876@1.1637896 1 1 1 1 1 1 1 1 1 1 5909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.3876 *555.4128* 555.4128@1.1178135 1 1 1 1 5161 1 1 2028 1 1 1 1 1 1 1 1 1 1 3334 1 1 1 1 1 1 1 7396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 2599 1 1 1 1 1 1 5281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6177 1 1 1 1 1 1 1 1 1 1 3347 3021 1 1 1 1 555.4128 *555.4164* 555.4164@1.0966028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4949 1 5306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10937 1 1 1 1 1 1 1 1 1 13425 1 1 3784 1 1 1 1 1 7145 1 3918 2524 1 1 1 1 12586 1 1 1 1 1 1 555.4164 *555.4315* 555.4315@1.0610483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.4315 *555.4503* 555.4503@1.0506666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.4503 *556.0291* 556.0291@0.7138246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2873 1 1 1 1 1 1 1 1 2565 2988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5852 6018 1 1 1 1 1 1 556.0291 *556.0864* 556.0864@4.2821565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8099 7167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.0864 *556.0948* 556.0948@2.1235082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10731 4247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.0948 *556.1765* 7-Dehydrologanin tetraacetate 1 1 1 1 1 1 1 1 1 1 7847 8093 1 1 3656 3705 1 1 6402 3525 9406 8932 4049 4199 6976 7131 3372 3855 10193 11448 1 1 14004 13293 1 1 5630 5283 6593 5250 2101 1 9228 8888 4873 4683 1 1 1 1 18293 17987 1 1 5533 5054 23280 23342 1 1 1 1 1 1 1 2392 1 1 4588 4350 18140 17367 1 1 1 1 5991 5929 10819 11619 1 1 6242 6563 11161 11129 1 1 10156 10613 C11668 556.1765 *556.2371* 556.2371@1.5767442 3717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.2371 *556.2425* 556.2425@2.167769 7003 6674 1 1 4790 1 16487 16590 5207 1 6886 6780 1 1 1 1 1 1 5982 6302 1 1 4179 4280 1 1 1 1 1 1 1 5301 7590 7375 1 5546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4946 1 1 1 1 1 1 1 1 1 1 1 1 3744 1 1 1 1 1 1 1 6730 7720 1 1 1 1 5777 5119 1 1 5483 1 556.2425 *556.2427* C30 H40 N2 O4 S2 17205 18993 15428 14245 15327 14278 13625 13686 11513 10721 16505 15385 14459 13192 14591 14147 10394 10828 22563 23640 20324 21483 17774 16557 15137 15630 16922 17718 13660 12789 16802 17527 17191 16972 12475 12382 18764 19421 19846 19379 14105 13647 21501 20661 15312 15553 10606 10147 10858 10628 11501 10994 12747 12878 14973 16127 14675 15573 15093 15162 1 1 9633 9197 11877 11492 10324 9729 11388 10791 20736 20154 10790 11215 12004 12289 16110 15124 12764 13213 20145 20067 19324 19052 18620 19369 17609 15707 9579 11291 556.2427 *556.2673* 556.2673@1.6391029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.2673 *556.298* 556.298@1.1794612 1 2180 1 1 2326 3852 5291 6430 1961 2358 1 1 1 1 2690 2654 1 1 1 1 1 1 1 1 1 1 1486 1319 1 2169 1 1 1 1 26755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1 1 556.298 *556.3125* 556.3125@1.1980648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.3125 *556.4205* 556.4205@1.1175791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.4205 *556.427* C34 H57 Cl N4 7892 1 4140 3211 14838 11972 1 1 1 1 14448 1 1 1 11100 8021 9776 1 9590 1 1 1 1 1 1 10743 7751 6034 18898 1 10123 10684 29094 1 1 1 6322 11044 1 1 18715 1 1 1 1 15837 1 1 14145 1 1 1 1 1 6332 1 34725 1 1 1 14287 1 1 1 24383 1 22596 3316 1 10909 1 1 1 9382 6314 7586 13586 15913 8025 1 1 1 1 17790 1 1 1 1 1 13822 556.427 *556.4449* 556.4449@1.0575838 1 1 1 1 1 1 1 1 1 1 1 1 8258 1 1 1 1 1 1 1 1 1 1 41583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17034 1 39235 1 1 1 1 1 39108 36657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21421 1 1 1 1 1 1 1 1 29736 29885 1 1 1 1 1 1 1 1 1 556.4449 *556.4516* 556.4516@1.0461586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53103 57315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.4516 *556.9562* 556.9562@1.159281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2235 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3667 4001 1 1 1 1 1 1 1 1 1 1 1 1 9330 9464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 2316 556.9562 *557.1126* 557.1126@0.91609514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4872 4552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.1126 *557.1721* 557.1721@0.8763208 1 1 1 1 1 1 1 1 3223 5395 1 1 1 1 1 1 1 1 1 3062 1 1 4811 4115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5435 5599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3795 3805 1 1 1 1 1 1 5223 5280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.1721 *557.2092* 557.2092@1.9722035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12142 11604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.2092 *557.2518* 557.2518@3.2129135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12925 10903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.2518 *557.303* 557.303@1.0407276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5557 5597 1 1 1 1 1 1 6255 6865 1 1 1 1 5850 6115 1 1 1 1 1 1 5639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5740 1 1 1 1 1 1 1 1 1 8129 7990 1 1 1 1 557.303 *557.3301* C27 H47 N3 O9 9565 9495 12480 13314 8285 8481 14481 14083 10434 10560 15497 15386 7813 7943 6492 6066 8553 8631 24422 23193 7034 7288 16042 15587 1 1 13345 12263 11627 11309 9350 8837 14092 12996 9316 9196 8169 7901 11052 10432 20610 20507 9700 10143 10127 10075 6345 6333 8842 9644 12543 12386 5918 6611 12023 11203 15447 15857 11146 10115 8469 8889 7060 7393 9436 9565 13613 13605 7447 8077 19746 19956 7948 8008 6307 5919 9558 9320 10585 11658 15388 16232 9392 9999 16671 16819 8296 8468 10286 9944 557.3301 *557.3305* 557.3305@6.723736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.3305 *557.3351* 557.3351@3.5652528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5686 5683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.3351 *557.4259* 557.4259@1.1205878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4861 3863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.4259 *557.4518* 557.4518@1.0485233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.4518 *558.1803* 558.1803@0.8855865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 3680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.1803 *558.1893* C33 H34 O4 S2 1 1 1 1 1 1 12507 10612 1 1 1 1 1 1 1 1 1 1 5473 5371 10347 9728 5082 4941 8588 8505 5019 5242 7061 7711 1 1 7866 6682 4508 1 5132 1 1 1 1 1 6191 6767 6779 7519 1 1 2663 1 14193 14490 1 1 5221 5003 9332 9380 1 1 1 1 4803 5945 5104 4914 1 1 1 1 12716 12462 1 1 1 1 9001 9526 9078 9670 1 1 5556 6313 10709 10811 1 1 10802 11808 558.1893 *558.2517* 558.2517@1.145153 1 1 1 1 1 1 5566 6045 1 1 1 1 1 1 1 1 6084 7910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3540 3484 1 1 1 2318 1 1 1 1 1 1 1 1 9006 7396 1 1 1 1 1 1 1 1 1866 2166 1 1 1 1 7814 4507 1 1 1 1 1 5486 1 1 1 1 4697 4968 1 1 2155 1 1 1 4531 5101 1 1 5207 5013 558.2517 *558.2584* 558.2584@1.1379778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3511 6902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 1740 2134 1 1 1 1 1 1 558.2584 *558.2654* 558.2654@1.0921961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.2654 *558.2731* 558.2731@1.0937144 1 1 23850 6667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.2731 *558.285* 558.285@1.1006193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.285 *558.3095* 558.3095@1.037904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56033 42803 1 1 1 1 1 1 34429 26135 1 1 1 1 44970 41401 1 1 1 1 1 1 25851 1 1 1 1 12941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33338 1 1 1 1 1 1 1 1 1 36669 32989 1 1 1 1 558.3095 *558.3368* 558.3368@1.0385382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74000 72258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.3368 *558.4334* 558.4334@1.1137909 1 1 1 1 1 1 3661 1 1 5030 3361 2434 1 1 1 1 1 1 1 2944 1 1 1 3803 1 1 1 1 1 3745 6790 1 1 4977 1 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 3629 3835 1 1 1 1 1 1 1 27128 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 1 1 1 1 1 1 1 1 558.4334 *558.4363* 558.4363@1.1088513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3580 1 5074 1 1 1 1 1 1 1 1 1 3687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4175 5035 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 558.4363 *558.4451* 558.4451@1.1023216 1 1 1 1 1 6945 1 1896 1 1 1 1 1 4600 1 5133 1 5044 1 1 3546 3118 1 1 4881 4329 1 1 1 1 1 8420 1 1 2697 1 1 1 1 1 1 5262 1 1 5635 6732 5250 5686 5061 1 26804 1 4717 4977 1 1 1 1 1 1 5879 1 1 1 1 1 1 1 5166 4953 1 1 1 3627 4736 1 1 6080 5075 1 1 1 6502 1 11991 1 1 1 1 1 558.4451 *558.4606* 558.4606@1.0569941 1 1 38558 38244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6973 1 1 49327 51826 558.4606 *558.462* C31 H63 Cl N4 O2 133206 112669 1 1 180203 177836 1 1 110250 69480 138679 121393 62658 58691 119986 121625 110365 59085 119289 119699 1 50642 127669 124191 100053 114834 178464 182126 137579 138144 135506 125545 1 107288 57729 58219 268706 274062 140244 111027 121748 120351 1 36876 196477 229294 184333 145923 114236 107601 326930 294451 137211 134308 101789 104609 262184 257523 129246 126397 168942 178276 33981 35966 139286 159851 98457 97833 99315 174829 68390 57020 47380 46408 133333 77163 249068 239213 104934 109820 80039 59953 85648 78977 284716 273825 247456 136435 1 1 558.462 *558.9781* 558.9781@1.1321417 1 3766 1 1 1 1 1 1 1 1 1 2109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10798 10192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7864 13904 1 1 1 1 558.9781 *559.1045* 559.1045@1.1053712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3124 3015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.1045 *559.1869* 559.1869@0.8995613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6415 6925 1 1 7564 7915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11909 11478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12769 12687 1 1 1 1 1 1 3471 3597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.1869 *559.3074* 559.3074@1.0405558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.3074 *559.3113* C28 H37 N11 O2 4046 3371 1 4592 4267 4112 6494 1 3571 3489 1 4440 3444 3932 3862 3966 1 1 3972 1 1 1 4820 4405 1 4896 4174 1 4973 4761 1 1 4263 1 1 2488 5518 5793 1 1 1 4087 1 3012 1 1 6790 6393 2963 2647 6574 7489 1 1 4080 3409 4376 5013 1 1 2928 3166 2859 2885 4905 1 5895 5599 1 1 4105 3776 3377 3438 1 4296 5128 4838 4064 1 4049 4133 1 1 1 1 4664 4852 1 3766 559.3113 *559.4328* 559.4328@1.116814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.4328 *559.4516* 559.4516@1.0903214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.4516 *559.4645* 559.4645@1.0763338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29032 1 1 1 3985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3481 1 1 1 1 1 1 1 1 1 1 2961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.4645 *559.933* 559.933@2.8259811 1 1 1 1 1 1 20269 21333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.933 *560.1103* 560.1103@1.1028153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3809 4295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5835 12332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7234 6872 1 1 1 1 1 1 1 1 1 1 11751 10892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.1103 *560.2763* 560.2763@1.084264 2744 1 1 1 33226 6207 5871 30920 1 54666 17202 5190 46558 24061 4061 1 1 1 4214 3739 15205 12348 4176 16709 4751 71189 26705 43623 67070 5637 2269 1 1 1 1 1 1 25485 13560 5080 4489 55016 3161 29969 15708 14349 42140 36191 3669 5793 1 1 1124 1 1 11534 1 1 1 1 1 1 3707 34187 1 1 1 1 16329 7092 43363 55268 25000 3361 36338 20427 1 14881 1 4290 1 15043 17347 1 4425 32720 1531 2614 1 3717 560.2763 *560.2825* 560.2825@1.0753719 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.2825 *560.3019* 560.3019@6.3961444 1 1 1 1 1 1 1 1 1 1 1 1 4026 4408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3019 *560.3038* 560.3038@1.0452907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18913 1 1 1 1 1 1 1 1 1 1 1 11533 14296 8775 1 1 1 36938 40251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3038 *560.3105* C18 H46 Cl2 N14 S 19234 9072 1 13075 20371 18008 23363 1 18038 16639 1 23094 12187 8660 21394 12775 1 1 9252 1 1 1 50660 20268 1 15714 14585 13026 25691 21388 1 1 34764 1 1 6230 1 1 1 1 1 22530 1 8003 1 1 15350 24986 1 1 18138 65522 1 1 13517 17841 28328 39891 1 1 1 1 1 5155 10958 1 1 1 1 1 7488 8141 14385 17376 1 13286 41571 26132 19102 1 19199 15333 10127 1 1 1 17875 19482 1 13949 560.3105 *560.321* 560.321@1.0333166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17058 19897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.321 *560.3741* 560.3741@1.0982411 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 1 1 30080 29864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34224 33710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18450 17804 1 1 1 1 1 1 1 1 1 1 32290 28486 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3741 *560.3908* 560.3908@1.0976772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4919 4966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3908 *560.4129* 560.4129@1.0920616 1 3936 1 8197 8155 1 1 1 1 1 1 1 12228 1 1 1 1 1 1 1 1 1 5503 6898 7748 1 1 7304 1 1 1 5450 1 1 1 1 1 1 1 16846 7687 41410 1 1 1 1 1 1 5628 1 1 1 1 1 1 1 1 1 1 1 1 1 17114 2261 1 1 48923 1 1 5553 1 1 5373 1 1 5030 5645 1 5476 1 5244 1 1 37155 1 1 1 1 23848 1 560.4129 *560.4145* 560.4145@1.090458 3060 1 15340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16491 1 1 1 1 8872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5294 24815 1 1 1 1 1 1 1 1 1 1 1 1 1 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.4145 *560.4236* C38 H56 O3 1 1 1 1 1 28846 1 1 18611 4424 20981 6786 1 3978 15839 14146 1 1 5284 4946 15131 1 1 1 1 8116 16747 1 1 30530 1 1 1 1 1 1 1 1 1 1 1 1 16581 1 4094 43813 1 1 1 37475 1 3309 1 1 29083 13197 8799 55531 29264 1 1 20218 1 1 1 1 1 1 4820 1 7002 26640 1 4625 1 1 1 35633 1 33954 1 4326 37278 1 1 2514 1 1 1 10647 560.4236 *560.4437* 560.4437@1.0963347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1790 1 1 560.4437 *560.456* 560.456@1.089 1 1 1 1 1 1 1 4338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.456 *560.4661* 560.4661@1.0736868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6730 1 1 1 1 1 1 1 1 1 1 1 1 560.4661 *560.4761* 560.4761@1.0410285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106571 1 1 560.4761 *560.9757* 560.9757@1.1271563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5645 1 1 1 1 1 560.9757 *561.2781* 561.2781@1.0685792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 1 2247 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2087 2716 1 1 561.2781 *561.2851* 561.2851@1.0628858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.2851 *561.3041* 561.3041@1.046473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3995 1 1 1 1 1 1 561.3041 *561.3132* 561.3132@1.0386354 1 1 1 1 1 1 1 1 1 1 3668 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 1 1 1 1 1 1 1 1 4206 1 1 1 1 1 1 3065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 1 1 1 1 1 1 1 1 1 3773 1 1 3204 1 1 1 1 1 1 1 561.3132 *561.3214* 561.3214@1.0400581 1 1 1 1 1 1 1 3819 1 1 1 1 1 1 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.3214 *561.3241* 561.3241@4.697131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4100 4354 1 1 1 1 1 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5670 5197 1 1 1 1 1 1 1 1 1 1 5727 6093 1 1 1 1 1 1 4904 5824 1 1 1 1 1 1 1 1 1 1 6196 5871 1 1 1 1 1 1 6060 5806 561.3241 *561.3251* 561.3251@4.655224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6089 6336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.3251 *561.4364* 561.4364@1.0867245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.4364 *561.4797* 561.4797@1.0399842 1 10118 1 1 1 1 13728 1 1 1 1 10182 1 1 1 1 1 1 1 1 1 1 9393 9367 10160 1 1 1 1 1 1 1 1 1 1 1 1 1 11208 1 1 1 1 1 16046 1 1 14116 1 1 1 22744 1 1 8403 8700 1 1 1 1 1 1 1 1 13689 14010 7648 7472 1 1 1 5109 1 1 1 1 1 1 1 1 6697 1 1 6424 1 1 1 1 1 1 561.4797 *562.1455* 562.1455@1.1418794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 2561 1 1 1 1 1 1 1 1 1 1 562.1455 *562.2776* 562.2776@1.095224 1 1 1 44796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.2776 *562.286* C23 H48 Cl2 N4 O7 1 38420 5261 8067 5086 10932 72662 1 9903 1 1 17018 1 1 35146 40865 2874 1176 51502 51890 8801 1 1 1 43675 1 1 1 1 14144 1 1 3986 1 29774 34382 40458 1 1 8988 1 1 29907 1 1 1 1 1 55786 58226 1 1 45182 43157 11152 1 5620 58883 9290 37607 8015 6569 41482 1 24571 23178 18740 25388 1 9901 1 1 1 6966 1 1 1 1 6617 1 47878 1 1 10822 9688 1 5209 2852 49109 7781 562.286 *562.2946* 562.2946@1.0544059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7176 1 1 1 1 1 1 28259 1 1 1 1 1 1 1 1 51220 1 1 1 1 1 1 1 1 1 14786 1 7390 5546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27490 1 1 1 1 1 1 1 1 1 1 562.2946 *562.3089* 562.3089@1.0421196 1 1 1 1 1 1 1 1 1 1 14753 1 1 1 1 1 1 8410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5974 1 1 1 1 1 1 9959 1 1 1 1 1 1 1 1 1 1 1 1 6901 1 1 1 1 1 1 4995 1 1 1 1 1 5056 11567 1 1 1 1 7984 1 562.3089 *562.318* 562.318@1.0341413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1230 1 1 1 1 7055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.318 *562.3354* 562.3354@1.0291222 1384 2945 2770 1 1 1 1 5928 1 1 1 1 1 2048 1 1 1 1 1 1 3535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2378 1 1 1 2322 1 1 1 3304 1 1 1 2239 1 1 1 3693 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3132 1 1 1 1 562.3354 *562.3361* 562.3361@1.0205972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.3361 *562.3784* 562.3784@1.1368403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.3784 *562.401* 562.401@1.102387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6916 7517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.401 *562.4101* 562.4101@1.0978969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10752 15752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.4101 *562.4273* 562.4273@1.0815539 18484 36776 1 1 40679 1 1 1 1 30659 1 29248 1 8281 1 1 1 1 47268 25144 1 1 49117 39401 36008 58017 1 31787 111814 1 36472 35635 1 1 7410 17730 1 1 1 1 37515 1 1 1 21235 1 43637 1 36671 1 1 1 33198 12755 1 1 129650 1 1 1 1 1 1 13378 26372 1 1 1 34635 31160 47657 1 17937 21145 44374 22108 43207 1 33437 1 28628 47880 1 1 28588 52304 1 1 1 1 562.4273 *562.4313* 562.4313@1.0867622 1 1 1 1 1 1 14548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7129 35097 1 1 1 1 1 1 1 1 1 1 1 1 1 22980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4003 1 1 1 562.4313 *562.4376* 562.4376@1.0819924 1 1 1 1 1 1 1 20039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25000 1 1 1 1 1 1 1 1 1 1 1 28943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16575 1 1 562.4376 *562.4811* 562.4811@1.0339742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9179 9879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.4811 *562.4895* 562.4895@1.0363342 1 12587 1 1 1 1 25661 16328 1 1 1 14755 1 1 1 1 1 1 1 1 1 1 9865 11874 11487 1 8386 8383 1 1 1 1 1 1 1 1 1 1 20605 1 1 1 1 1 21955 1 1 22917 1 1 1 27973 1 1 10082 10928 1 1 1 1 9483 1 1 1 14803 15388 1 1 1 1 1 8171 1 1 1 1 1 1 1 1 10090 1 1 8623 1 18180 1 1 1 1 562.4895 *563.0964* C15 H36 Cl3 N7 O S4 1 1 1 1 5682 1 1 6810 1 1 1 1 1 6518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17940 16459 1 6419 12593 16383 16489 14381 14414 12400 8653 10391 12033 13619 16308 13523 13853 13892 13665 16924 19152 17420 19411 20255 15136 17080 22309 21627 1 1 8795 11373 7549 7813 12333 12032 18876 19251 17900 17304 26159 27648 15761 16471 20738 18604 19898 21418 27065 27091 24197 21878 21894 21074 20021 20606 31454 30962 18778 22087 563.0964 *563.1063* 563.1063@1.1050072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11076 1 1 1 1 1 1 1 1 1 1 1 6714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.1063 *563.2551* 563.2551@1.6813796 1 1 1 1 1 13990 1 10082 19854 19672 1 1 1 1 6908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8489 1 1 1 1 1 1 20067 22286 1 1 1 1 1 1 1 1 1 8593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14600 1 1 1 1 1 11861 1 1 1 21442 7575 1 1 1 1 563.2551 *563.2553* 563.2553@1.5894432 1 1 1 1 1 1 1 3688 1 1 1 1 1 1 6270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.2553 *563.2662* 563.2662@1.0695958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 4521 1 1 563.2662 *563.2822* 563.2822@1.0680643 3033 1 5597 1 1 5579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4060 1 5475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4116 1 1 1 1 5011 1 1 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 10355 1 1 4190 1 1 1 1 1 3735 1 4331 1 1 1 4105 4713 1 4161 1 1 1 1 4960 563.2822 *563.3021* 563.3021@1.0542346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6107 6139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4854 1867 1 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 1 1 1 1 1 1 5345 1 1 1 1 1 1 1 1 1 4742 1 1 1 1 1 1 1 1 1 1 1 563.3021 *563.3053* 563.3053@1.0438943 1 1 1 1 1 1 1 1 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.3053 *563.3199* C25 H41 N9 O6 7039 6915 3306 3966 5538 5762 7681 7551 5691 5785 14459 3976 6215 5631 19673 7131 7182 7483 7153 7564 5318 5158 11397 11297 19932 8939 5178 4790 7081 6915 7277 21432 5839 5594 4447 4403 5062 4978 7481 7379 12670 13244 5209 18301 3451 1 9125 8800 6198 5515 8876 21338 3955 3933 7554 7084 25208 12149 7523 7501 17746 8076 1 1 4927 4821 8472 8731 23625 22659 8160 7565 13891 1 4736 4869 6301 6852 3421 1 8568 8366 3401 1 12249 12773 5484 5555 6412 6288 563.3199 *563.3236* 563.3236@1.0333078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1726 1691 1 1 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 563.3236 *563.3784* 563.3784@1.1167763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.3784 *563.422* 563.422@1.0819882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4138 1 1 1 1 1 1 3996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.422 *563.4342* 563.4342@1.0749893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3944 1 1 1 1 2414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.4342 *563.4856* 563.4856@1.0407351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.4856 *563.4931* C35 H65 N O4 2993 1 1 1 3354 3813 1 5673 3069 1 2934 1 1 2482 3427 1 3616 1 3016 3547 3154 2834 1 1 1 2677 1 1 4059 1 1 4013 2586 3434 1 1 1 1 1 4549 2820 2430 1 1 1 1 5075 1 1 2484 5108 1 2132 2291 1 1 6793 7398 6311 1 1 1 1 1 1 1 1 1 4685 1 1 1 1 1 1 3602 5088 4591 2788 3166 1 2243 1 1 4124 1 8498 8099 1 1 563.4931 *564.2731* 564.2731@0.9052272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3294 1 1 1 48822 12930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.2731 *564.2937* C25 H47 Cl3 N8 25580 1 58404 1 1 42519 1 52661 42860 1 41730 5459 1 24059 9949 1 29701 30629 1 1 37441 8039 1 37612 1 1 41778 1 1 47310 1 1 1 1859 1 1 1 1 29152 11037 1 1 1 1 6693 45981 1 1 1 1 41695 1 1 1 27378 23162 49201 1 30615 4883 17491 40119 1 1 1 1 83284 70682 55213 51648 1 1 1 35047 1 39003 11437 37278 31384 23050 3810 39272 49320 5165 34787 1 1 14757 1 49519 564.2937 *564.2956* 564.2956@1.0647143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40135 1 1 1 1 1 1 564.2956 *564.302* 564.302@1.0423992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5300 1 1 1 1 1 1 1 4223 1 1 1 3379 1 1 44220 1 1 1 1 1 1 1 5317 6606 1 1 1 1 15801 1 1 1 1 1 1 1 1 1 1 4921 4466 4422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 1 1 1 1 4843 1 1 1 3757 1 1 1 1 1 1 1 1 564.302 *564.3175* 564.3175@1.0390569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3477 1 1 564.3175 *564.3329* 564.3329@1.0225596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6029 1 1 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.3329 *564.4323* 564.4323@1.1085514 1 1 1 17425 1 5176 1 1 17776 1 1 5385 1 1 1 1 1 1 1 1 1 1 17401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 1 14930 1 1 1 1 1 4053 5847 1 1 1 1 1 1 19449 34898 1 4953 3308 1 1 1 1 1 1279 1 1 5140 1 1 1 1 1 1 1 1 1 1 1 12999 564.4323 *564.4333* 564.4333@1.0819663 1 1 1 1 1 57802 1 1 1 1 22238 1 79840 72441 43518 41764 35228 45730 1 1 9621 1 8739 1 1 1 38500 1 1 100698 1 1 42628 40779 1 1 23250 1 47756 49957 1 1 1 13967 25586 1 1 1 1 1 1 18582 1 49761 1 54396 1 1 1 1 64935 65083 1 1 1 1 1 29004 1 6084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82695 1 1 1 564.4333 *564.4859* 564.4859@1.0352827 1 1 1 1 3304 1 1 1 1 1 3126 1 1 1 1 1 1 1 1 1 1 2741 1 1 1 1 1 1 4077 1 1 1 1 3614 1 1 1 1 1 1 1 2994 1 1 1 5927 1 1 1 3113 1 1 1 1 1 1 7944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6239 1 1 1 1 1 1 1 1 1 1 1 1 1 564.4859 *564.4943* 564.4943@1.034247 1822 1 1 1 1 2346 1 4410 1696 2143 1 1 1 1 4211 1 3539 1 3562 2797 3314 1 1 1 1 2004 1 1 1 1 1 5615 3189 1 1 1 6712 6527 1 7256 1 1 2157 1961 1 1 5141 1 1 1 6029 1 1 1 1 1 1 7373 5971 1 1 1 1 1 1 1 1 1 4054 1 1 1 1 1 1 2526 1 3670 4224 4904 1 1 1 1 3028 1 11715 12010 1 1 564.4943 *565.0886* 565.0886@0.68012816 1 1 1 1 1 1 1 1 1 1 5998 5805 6432 6119 1 1 1 1 4240 3860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4193 3765 1 1 1 1 1 1 1 1 7097 7153 1 1 1 1 12602 13708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15010 14995 1 1 1 1 1 1 565.0886 *565.0946* 565.0946@1.127384 11753 9100 5290 4471 1 4293 5123 1 1 1 3462 1 5513 1 1 2146 1 1 1 1 1 9157 5071 5690 4692 6914 1 1 1 1 1 1 7045 7687 6882 8403 9253 8693 1 1 5476 7521 1 1 1 1 1 1 1 1 15429 15742 1 1 5992 4961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11696 11362 1 1 1 1 565.0946 *565.0955* 565.0955@1.0880356 2533 2234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.0955 *565.1805* 565.1805@1.1991582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.1805 *565.2974* 565.2974@1.0765848 1 1 1 1 5554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5077 4587 1 1 1 1 6343 1 1 1 5894 1 1 1 1 1 3633 1 4815 1 1 1 1 7396 1 5733 6057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4309 1 1 1 1 1 1 4475 1 4328 1 4998 1 5698 1 1 1 1 1 1 1 1 2631 1 1 1 1 565.2974 *565.3316* 565.3316@1.0208827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 1 1 1 1 1 1 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 1 1 1 1 565.3316 *565.3355* 565.3355@6.54142 1 1 1 1 1 1 1 1 1 1 1 1 38092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28714 1 1 1 1 1 1 1 1 1 3668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.3355 *565.3357* C26 H39 N13 O2 19367 19890 19345 20082 17382 13647 27997 27737 25208 32265 19183 20002 18778 18642 23811 24170 11192 11840 19366 24868 16638 17695 21147 20582 18031 23600 18127 23265 19567 19875 24864 25386 23502 30750 11826 12382 21719 29075 18346 18819 37847 39395 11986 10867 14758 18752 25030 25781 20092 25781 27937 36882 14620 14887 27090 26957 41160 40956 30079 30499 39256 31270 17938 18351 15860 16165 16174 16614 33805 44877 25506 24256 21167 21132 18474 14398 16284 16843 19619 16012 21889 21786 17077 16525 28936 39613 33835 32188 20000 19057 565.3357 *565.3369* C22 H47 N9 O6 S 325243 340958 346973 337426 236011 219351 568703 563410 401026 385684 340963 356832 275034 312409 527319 494043 237149 249864 397924 396670 271983 291415 376929 383349 363042 385601 329236 342888 378234 405688 408912 416409 417043 417988 146940 162210 358201 361885 304291 281124 720730 750615 189720 181494 259647 239322 460874 442412 359986 334758 474592 503171 250877 250984 443673 482104 681692 657236 490701 495549 512214 528622 291982 294335 195820 212766 280264 277536 552010 554048 448541 404229 279102 277920 229350 228930 281882 288557 249716 263388 388579 367108 271705 274911 763579 505905 524106 522076 362301 339816 565.3369 *565.3483* C32 H47 N5 O2 S 1 3572 1 1 1 1 1 1 1 1 4025 1 1 1 1 1 1 1 3941 3550 1 1 4797 1 1 1 12322 11050 1 1 3500 1 4205 3286 8781 7828 6848 6626 1 1 1 3437 5364 5337 1 1 5332 1 7525 7373 7130 5811 8214 8041 6910 6826 6367 5423 5510 5571 5753 6019 1 3781 3905 1981 7316 7152 5671 6043 10605 10591 2297 3879 4898 5226 3220 5600 9917 9857 8966 7951 7769 8572 22040 22782 8534 6739 6555 6563 565.3483 *565.3807* 565.3807@1.1245563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.3807 *565.4357* 565.4357@1.0899432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.4357 *565.4366* 565.4366@1.0803726 1 1 1 1 1 1 3948 1 1 1 1 1 1 1 1 1 1 1 1 1 3616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6664 1 1 1 3325 1 1 1 5677 1 1 1 1 5286 1 1 12763 5839 6296 1 1 1 1 1 1 8934 1 1 1 1 4222 3700 1 1 5094 1 6709 1 5826 1 1 5742 5088 1 1 1 1 3329 1 565.4366 *565.4981* 565.4981@1.0345614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.4981 *565.5086* 565.5086@1.0352086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.5086 *565.6086* 565.6086@6.4883614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 4407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4360 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.6086 *565.6143* 565.6143@6.495363 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2207 1 1 1 1 1 2946 1 2295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2396 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 2488 1 1 565.6143 *565.6233* 565.6233@6.4918594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4729 1 1 1 1 1 1 1 1 1 1 1 1 1 2924 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 2334 1 1 1 1 1 565.6233 *566.117* 566.117@1.5639447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12215 13063 1 1 1 1 1 1 1 1 1 1 9777 11680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.117 *566.2875* 566.2875@0.8873491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.2875 *566.2882* 566.2882@0.96875894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41260 43190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.2882 *566.3039* 566.3039@1.0739237 1 1 1 22022 25541 1 1 1 1 1 1 1 28299 25115 21546 22182 1 1 1 1 1 14539 28056 1 18194 1 1 33022 1 1 1 26390 1 1 1 1 1 33680 1 32963 1 1 9030 18632 19965 1 24630 13864 1 1 1 1 1 1 1 1 1 1 1 1 11747 1 1 22164 9230 9815 1 1 1 1 36494 1 19616 1 22458 1 23534 1 1 1 1 1 1 1 1 17952 11537 1 1 1 566.3039 *566.3056* 566.3056@5.028683 1 1 1 1 16501 15993 1 1 4518 4240 4508 4770 1 1 6848 5671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3056 *566.3061* 566.3061@5.008187 1 1 1 1 12674 13582 1 1 1 1 1 1 1 1 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3061 *566.3245* 566.3245@4.56648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4225 4313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3245 *566.3302* 566.3302@1.7761474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8000 8407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3302 *566.3421* 566.3421@1.135082 1 1 1 1 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3421 *566.3562* 566.3562@1.135937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 1 1 1 1 1 1 1 1 1 2971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3562 *566.361* 566.361@1.1346835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.361 *566.3664* 566.3664@1.1369871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3831 1 1 3564 3303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3664 *566.3898* 566.3898@1.1274132 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1855 3524 566.3898 *566.4065* 566.4065@1.1296263 1 1 1 1 1 1 1 1 1 1 3631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3188 1 1 1 1692 1 1 1 1 3005 1 1 1 1 1 3990 4524 1 1 1 1627 1 1 1 1 1 1 1 1 1 1881 1 6301 1 1 1 1 1 7242 1 1 1 2071 1 1 2795 1 1 2373 1 1 1 1 1 7413 1 1 1 1 1 1 566.4065 *566.4138* 566.4138@1.1312287 1 1 1 1 1 4848 1 1 1 5767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3527 1 1 1 1 5871 6859 1 1 1 4977 1 1 1 1 2176 1 1 1 1986 2122 1 1 1 1 1 1 4521 1 6030 1 1 1 2764 1 1 1 1 1919 1 1 1 1 1 1 3066 1 1 1 2664 1775 1 1 1 1 1 1 1 1 566.4138 *566.4501* 566.4501@1.0883176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22603 1 1 1 1 46693 1 1 1 1 1 7117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6525 1 1 1 1 1 1 1 15320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43935 1 1 1 1 1 1 1 1 1 1 1 1 1 566.4501 *566.4503* Anhydrorhodovibrin 21338 1 25352 36913 117744 115455 21458 47262 36599 35858 37238 36342 1 12934 30035 5706 21971 10083 1 59725 7329 54776 80302 81628 31373 1 63584 70113 1 67198 42324 43309 70480 67883 20787 1 58785 58628 59037 58498 42770 109070 31520 21954 46437 45644 1 28393 118319 107528 47998 49365 62759 67252 74386 1 1 86615 51752 52606 86222 85721 30929 31267 65167 68594 45063 42288 52750 52421 1 60300 21058 51439 1 56453 13599 57376 42248 43358 66624 1 29539 32703 64706 1 1 27395 22524 51125 566.4503 *567.1136* 567.1136@3.0260682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50498 50286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.1136 *567.3072* 567.3072@1.0744756 1 1 1 1 1 1 1 1 1 4210 1 1 1 1 1 1 1 1 3932 4463 1 1 1 1 1 5814 1 1 4814 1 1 1 1 1 1 1 1 1 1 1 1 4666 1 1 1 1 1 2959 4420 1 1 3599 1 1 1 1 1 1 1 3387 1 1 3083 1 1 1 1 7491 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4293 1 567.3072 *567.3512* C24 H51 Cl2 N9 O2 14100 14857 18309 14290 13964 13790 18661 17009 16321 20458 13210 10889 13603 14529 18697 18154 7620 8273 15668 15554 15237 11452 13294 12798 9578 12493 10504 13104 15694 15981 29252 29280 18538 19077 6337 7952 18737 14285 20621 20054 20749 21178 9760 24160 9640 11688 16494 17321 10295 12304 22509 39836 6578 8668 12116 16196 31300 31733 24430 24017 16850 16390 6814 6992 14294 13964 10603 12499 18931 24687 16360 20765 10205 10505 9387 9769 15159 16826 12951 18556 11512 14519 13195 10038 16140 16310 33562 34343 10639 11485 567.3512 *567.352* C23 H53 N9 O S3 176803 159334 207849 201551 247251 177013 225865 220635 220716 228907 191452 173683 193749 184450 276082 295084 127178 113868 370934 354730 179619 190448 183441 186852 192215 182229 183180 163003 243354 214724 364333 366450 227152 214514 97783 90594 214171 227949 209947 228782 271858 241224 148285 149102 150849 152941 243105 281708 151578 175227 317110 244516 117961 120351 219222 181475 423921 445445 316013 314221 210065 187887 100859 95849 167245 158986 187818 201994 320870 305594 226672 277530 150635 151935 115191 115305 209334 212772 204441 223694 191253 200025 163466 166940 1 243865 438201 403877 133769 160823 567.352 *567.3913* 567.3913@1.1301918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.3913 *567.441* 567.441@1.102843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2155 1 1 1 1 1 1 1 567.441 *567.4517* 567.4517@1.0737121 1 6122 1 1 1 1 1 1 1 1 1 1 5711 1 1 1 1 1 13631 1 1 1 1 1 1 8178 1 1 19181 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 7272 1 1 1 1 1 1 1 1 1 24668 1 1 1 1 1 1 1 1 1 1 1 1 1 7216 1 1 1 7100 1 1 1 1 1 1 7213 1 1 1 9342 1 1 1 1 567.4517 *567.6484* 567.6484@6.458946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.6484 *568.2882* 568.2882@0.8993662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.2882 *568.3001* 568.3001@1.054386 6031 35200 1 1 3315 1 1 1 1 1 55160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56161 24919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42646 1 120298 117512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3001 *568.3039* 568.3039@0.9654641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3039 *568.3041* Protoporphyrinogen IX 1 1 1 9628 1 103728 16766 53599 71712 8559 1 1 1 1 45545 9215 1 1 61146 8016 73201 70151 1 90270 92917 50852 17939 5276 7833 52666 1 1 1 1 9102 1 1 1 73043 1 8245 8257 20996 1 92020 89600 1 94227 6158 9628 1 93855 5622 81732 71077 41052 1 1 4446 5430 76442 1 1 1 1 1 155718 149613 1 1 1 93065 1 71443 1 49787 1 99660 38496 74004 1 1 1 1 1 1 1 1 12367 1 HMDB01097 C01079 568.3041 *568.3213* 568.3213@5.3791513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4039 1 1 5268 5082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11654 11440 1 1 1 1 1 1 1 1 1 1 3317 4501 1 1 1 1 1 1 1 1 1 1 568.3213 *568.3229* 568.3229@4.904423 1 1 1 1 8497 8471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6607 6079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3229 *568.3819* 568.3819@1.1376622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3819 *568.3917* 568.3917@1.1376595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1 1 1 2437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3917 *568.4028* 568.4028@1.1309869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 7188 1 1 1 1 8540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.4028 *568.4178* 568.4178@1.1315327 1 1 1 1 7791 1 1 2505 2737 1 3164 3281 1 1 1 1 1 1 1 1 1 1 1 1 2616 2936 1 1 8552 7573 1 4403 2802 2123 1 1 1 1 1 1 1 1 1 1794 1 7564 1 1 6174 1906 1 1 2405 5900 1 2422 1 1 1 2457 1 1 1610 1 1 12001 11815 10924 1 1 1979 5930 1 1 1 4007 1 1 1 1 4536 1 12676 1 5341 3033 1 1 8466 10271 568.4178 *568.4214* 568.4214@1.12881 1 1 1 1 1 1 3048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2145 1 5991 1 5837 1 1 4136 1 1 1872 2511 1 1 1746 1 1 1 1 1 1 1 1 1 11752 1 1 1 2846 5079 1 1 1 1 5821 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 568.4214 *568.4383* 568.4383@1.1443708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.4383 *568.4503* 568.4503@1.1214551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5442 1 1 1 1 1 1 1 1 1 1 1 1 1 568.4503 *568.4577* 568.4577@1.1108987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7630 1 5323 1 1 1 1 1 1 1 1 1 1 568.4577 *568.4649* Spheroidene 27665 28135 10007 1 1 1 26306 1 62193 66405 71715 71031 24899 25990 43165 43588 39139 22062 33943 1 1 1 1 1 48476 48135 1 1 126332 125681 84144 86881 96748 96183 1 10461 82735 83053 1 1 65796 1 1 1 88549 86183 45615 45309 1 1 56664 59993 1 1 1 44854 208137 227106 91584 87098 1 1 1 1 82496 88069 63281 59025 73588 100273 26165 1 28592 1 26761 1 98858 94839 53307 63693 1 38029 38192 41968 1 47025 1 53454 28852 1 568.4649 *569.2061* 569.2061@2.9785433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12880 11024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.2061 *569.2062* 569.2062@3.1136115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14014 10138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.2062 *569.3633* 569.3633@6.4638023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10989 10698 1 1 1 1 1 1 1 569.3633 *569.3662* C29 H51 N3 O8 10038 10139 10588 9696 12639 12698 11118 14512 15872 11546 10453 10665 13108 13359 13814 10787 5534 5735 12804 17174 14600 15146 11390 11235 8767 9104 12175 12143 11521 9262 18445 18985 12759 13184 7955 8506 14537 14655 16522 21632 14919 11373 12273 1 9261 9180 16202 12828 12981 14097 19112 1 9349 9350 11747 10907 13213 12512 15114 16131 8451 11005 3710 3635 10207 10530 9582 9927 16030 16419 13684 13589 9468 9701 7930 8630 11637 8895 15602 16508 10090 12320 10224 10434 23042 17400 28424 21093 8652 8392 569.3662 *569.3671* C19 H43 N19 S 106846 80514 102869 84459 1 125684 152582 148348 136010 115064 106852 99929 140550 153469 245898 238529 101122 102017 286018 294442 161634 140106 166116 168703 175366 165476 173297 173313 194156 147954 204638 206545 183008 144879 90661 89923 139829 134097 227299 221726 178402 138635 121371 132445 94556 105407 169244 157517 160455 152261 157544 190600 113749 112814 122393 116607 193953 175768 177839 180225 120259 121789 34419 42089 104023 99179 117009 102549 146054 165367 142267 130631 102293 100908 87273 87703 98714 134351 150556 149869 145336 102654 112006 122907 237389 253112 269082 224910 103903 91755 569.3671 *569.4293* 569.4293@1.1238245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.4293 *569.469* 569.469@1.0769795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9867 1 1 1 569.469 *569.8364* 569.8364@5.528662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.8364 *570.2574* C22 H42 N4 O11 S 17150 17079 15057 15229 14175 13681 12758 12161 9140 10180 15929 15256 14341 14148 13510 13634 9704 10038 23238 22488 20378 19322 14608 15082 14163 14943 15987 15592 11865 12801 16355 16867 15137 18787 11123 11673 17861 18784 18747 18109 10020 12577 19200 20888 15333 9959 7475 9186 10101 10687 10739 10769 12434 12154 14765 10573 13324 13931 15664 15687 7275 7084 8445 7777 3910 10301 9666 2897 10294 10981 20533 19361 11609 11947 11674 12106 15285 16397 13633 13105 20317 20175 19731 19612 18849 18088 16924 16758 9603 9823 570.2574 *570.2578* 570.2578@2.1676028 6702 6655 1 4217 4821 4806 16561 16195 4464 1 7026 6733 1 1 1 1 1 1 6285 6334 1 1 1 1 1 1 1 1 1 1 4737 4097 7623 7126 4960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6986 7132 1 1 1 1 5328 1 1 1 1 5041 570.2578 *570.2592* 570.2592@1.6618978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2940 1 1 1 1 1 2555 1 1 1 2554 1 1 1 1 1 1 1 2895 1 1 1 1 3985 2119 1 1 1 1 1 1 1 1 3801 1 1 1 1 1 1 1 1 1 1 1 6634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.2592 *570.2886* 570.2886@1.0534893 53497 1 77206 73011 93461 1 129428 1 1 102429 1 17334 97258 96004 1 98657 58708 35359 1 53593 1 1 115274 1 1 1 1 6870 150967 1 110329 13309 66191 1 45390 43090 70903 1 1 1 13473 115614 77197 52199 1 1 121818 1 112016 71397 85701 1 111837 1 1 1 114750 31405 53594 53465 1 100528 1 87710 1 1 1 1 134040 78311 1 1 13887 1 110948 1 90153 1 1 1 72196 109107 152258 150144 74147 74346 68932 1 82074 50960 570.2886 *570.3192* 570.3192@1.1600809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3565 1 1 1 1 1 3510 1 1 1 2540 6296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.3192 *570.3699* 570.3699@6.3276205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.3699 *570.3704* 570.3704@6.41814 1 27260 1 27913 32911 1 54112 49156 1 38137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48910 1 1 1 48293 1 1 1 1 1 1 1 47561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4156 57586 58503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32355 1 1 1 1 38616 1 1 1 1 1 73178 1 1 570.3704 *570.4096* 570.4096@1.1260554 1 1 1 1 1 1 1 1 1 1 1 2743 1 1 1 1 1 1 1 3319 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 1 1 1 5116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8207 1 1 1 1 1 1 570.4096 *570.4254* 570.4254@1.1274085 1 1 1 1 1 4115 1 1 2860 1 1 1 1 1 2773 1 1 1 1 1 1 1 5720 1 4853 2823 1 1 1 1 1 1 3283 4909 1 1 4420 4135 1 1 1 1861 1 1 1 1 2529 1 1 5177 2846 2117 2577 1 1 2461 7016 1 2106 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 570.4254 *570.4286* 570.4286@1.1313597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 5059 1 1 1 1 1 1 1 1 1 1 1 1 570.4286 *570.4388* 570.4388@1.1307307 1 1 1 1 1 1 1 1 1 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2570 1 1 1 1 1 1 1 1 1 1 570.4388 *570.4692* 570.4692@1.0761818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3731 3711 1 1 1 1 1 1 1 1 7789 1 1 1 1 1 1 1 1 1 1 1 7254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2049 1 1 1 570.4692 *570.4778* 570.4778@1.0655533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 13016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29693 1 1 1 1 1 1 1 1 1 14971 1 1 1 1 1 1 1 16639 1 1 1 570.4778 *570.9745* 570.9745@1.1641115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1836 570.9745 *571.2457* 571.2457@2.0423605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6326 1 1 1 1 1 1 1 1 1 1 1 1 1 571.2457 *571.2919* 571.2919@1.0594568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.2919 *571.3177* 571.3177@0.7001331 2997 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.3177 *571.3883* 571.3883@1.131429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.3883 *571.4255* 571.4255@1.1255596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.4255 *571.4323* 571.4323@1.0985092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 2859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.4323 *571.4565* 571.4565@1.0859294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2661 1 1 1 2444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.4565 *571.479* 571.479@1.0684057 1 1 1 1 1 1 1 1 5266 1 4691 6199 1 1 1 2942 1 1 1 1 3084 3061 1 1 1 1 1 1 1 1 1 1 6096 1 1 1 2979 2772 1 1 5664 6037 1 1 1 6511 2780 2510 2768 1 1 1 1 1 1 1 3544 1 1 6632 1 1 1 1 4157 5562 4321 4478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.479 *571.4835* 571.4835@1.0612117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.4835 *572.2989* 572.2989@1.0501956 1 1 1 1 1 1 1 1 1 1 1 142475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38146 1 1 1 26272 1 1 1 1 1 101455 1 83492 98454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97472 1 26606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63577 1 1 572.2989 *572.3114* 572.3114@0.69978607 18916 18544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6199 6088 6400 6685 1 1 1 1 1 1 1 1 1 1 4039 3758 1 1 1 1 1 1 1 1 4924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3114 *572.3131* 572.3131@1.1988077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3131 *572.3227* 572.3227@1.1953703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3227 *572.3586* 572.3586@1.1056417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3586 *572.3687* 572.3687@1.0430468 5094 5407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3687 *572.3753* 572.3753@1.1071402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 1 1 7612 4212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4979 4873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3753 *572.3897* 572.3897@1.1171645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3897 *572.4054* 572.4054@1.132835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.4054 *572.4272* 572.4272@1.0943419 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.4272 *572.438* C27 H56 N8 O5 10753 12198 4693 1 18666 17885 1 9494 12785 13025 15486 15618 10320 10982 10972 10185 6415 6084 11854 1 1 3415 20784 21176 14934 13866 1 18937 39247 39473 13935 15040 16493 16253 4765 5240 1 19759 17392 19500 19055 17899 1 1 31954 31039 14637 15376 1 12386 1 1 17932 18002 18578 1 1 1 19705 19609 27069 28269 5954 5799 24409 23745 1 22170 24512 22226 10887 10607 10364 9969 17438 1 21940 21427 16489 16303 13965 14081 1 1 2754 32133 1 66880 7660 1 572.438 *572.443* 572.443@1.0559881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36998 36723 1 1 1 1 43907 235538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29230 1 68034 1 1 1 572.443 *572.9257* 572.9257@1.034344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19658 1 1 1 1 1 1 1 1 2124 28335 1 19953 1 29990 21904 1 34033 34706 30651 25842 1 1 25758 23257 1 1 23312 20889 22003 1 1 1 572.9257 *573.3031* 573.3031@1.0567425 1 5576 1 1 1 1 1 9399 1 1 6996 1 1 1 5041 1 1 1 1 1 1 1 1 1 1 8524 10548 1 1 8710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5783 1 1 1 1 1 1 6629 1 1 1 1 1 1 1 1 1 1 1 1 8678 1 1 6081 1 1 1 1 1 1 1 1 1 1 1 573.3031 *573.3711* 573.3711@1.0813028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.3711 *573.3929* 573.3929@1.0841832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1882 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 573.3929 *573.4009* 573.4009@1.0846753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.4009 *574.1526* 574.1526@1.0192932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 2524 1 1 1 1 1 1 4268 1 1 1 1 1 5475 5290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6035 2635 9380 7783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.1526 *574.2464* 574.2464@1.1668186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11453 12864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7109 8085 1 1 1 1 9436 8807 1 1 1 1 7080 7399 1 1 1 1 1 1 1 1 1 1 1 3165 574.2464 *574.3121* 574.3121@1.0495638 1 66176 1 4898 1 1 1 106711 1 1 113008 1 1 1 89140 1 1 1 1 1 1 1 1 1 1 98093 44214 102313 1 169521 1 114052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81410 1 40922 1 1 1 1 61166 1 1 1 1 1 1 1 1 1 88174 1 1 83639 1 1 96899 1 1 1 1 1 1 1 1 1 1 1 574.3121 *574.3365* 574.3365@1.0835825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151692 153175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.3365 *574.3537* 574.3537@0.8128307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4672 4547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.3537 *574.3568* 574.3568@1.1086864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5010 4589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.3568 *574.4422* 574.4422@1.1120787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4065 1 1 10581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4422 *574.4526* 574.4526@1.0994314 9061 1 1 1 1 14990 1 3729 1 1 1 1 1 10848 5563 6380 16383 1 1 5024 6568 1 1 1 1 1 1 1 42277 40111 1 1 9515 10908 1 1 1 1 11595 1 1 17029 1 1 1 7732 1 1 1 7110 1 15764 1 1 9302 6035 8107 8409 28999 74053 1 1 1 1 1 1 1 1 5728 8333 1 1 1 1 1 1 1 45713 5206 1 1 7933 1 1 1 1 8379 8281 1 1 574.4526 *574.4562* C31 H63 Cl N4 O3 134463 69548 75631 74067 167148 347690 53789 49462 213926 67102 116479 296681 150484 141173 65248 189081 92370 108280 208006 232648 156519 1 120605 288065 174212 74902 117127 275427 563787 638800 81849 85045 464952 442916 45640 28962 190835 193113 227551 119049 264496 242167 87855 40799 425555 171710 96922 233251 97878 91266 215140 196203 222025 246033 225851 110364 262031 1 322230 54488 319025 162556 68452 68290 152148 356229 288726 316789 125994 327094 45193 44552 67429 139800 212063 224717 164255 379657 248815 257749 73435 146684 80650 192072 182415 357788 1 1 107261 94010 574.4562 *574.9284* 574.9284@1.0338148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16747 9966 31495 1 3206 19083 15841 15478 3624 8829 7587 1 1 2987 15871 10032 11566 5842 10132 20077 16032 13335 13159 6266 8517 21406 1 15035 17390 9058 9326 1 1 20446 19813 26540 1 19359 1 25880 1 1 18299 1 1 1 1 32703 31772 1 1 15598 18020 1 1 1 20861 1 1738 574.9284 *575.3163* C20 H46 Cl N9 O8 7197 1 10410 9844 13375 12552 1 1 8745 1 1 1 1 1 1 1 1 5655 6491 7432 8669 8151 1 10687 10255 1 1 1 1 1 1 1 10388 10389 1 1 10267 1 7989 1 1 1 1 7209 11883 11624 1 10866 1 9956 12485 12032 1 8927 8316 1 1 1 5775 5715 8738 1 1 1 12975 12601 17276 16840 1 12197 1 8856 1 8545 1 1 13735 13660 1 9603 9912 1 1 1 9986 8945 1 1 1 7272 575.3163 *575.39* 575.39@1.1411059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3629 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.39 *575.4168* 575.4168@1.1210036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2378 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4168 *575.4602* 575.4602@1.0719982 1 1 1 1 1 1 1 1 1 17830 1 1 1 1 1 1 1 1 1 1 1 16126 1 3712 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24376 24521 1 1 575.4602 *576.1523* 576.1523@1.9696982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29699 30812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.1523 *576.1536* 576.1536@1.0213213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.1536 *576.3213* 576.3213@1.1012254 1 1 1 6498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.3213 *576.327* OLEANDRIN 44636 1 41806 38950 76267 76620 1 1 71797 1 1 1 1 1 1 1 1 43243 46328 46509 51736 51065 1 60834 58655 1 61780 1 1 1 1 1 78737 72429 1 1 64552 1 47293 1 1 1 1 36985 89415 81808 1 56365 1 65142 81795 83496 1 51335 52985 1 1 93672 81402 76399 56158 1 1 1 58342 57127 103482 103562 1 96156 1 51714 1 62070 1 1 97155 96578 1 67289 66633 1 1 1 56150 55409 1 1 1 61584 576.327 *576.3341* 576.3341@0.81633395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48987 49333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.3341 *576.4272* 576.4272@1.116297 1 1 1 1 1 1 1 4398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 1 1 1 1 1 1 576.4272 *576.4411* 576.4411@1.1210003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 1 1 1 1 1 1 1 1 1 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.4411 *576.4527* 576.4527@1.0960624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.4527 *576.4656* 576.4656@1.1023387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7604 1 1 1 7496 7295 1 1 7342 5828 1 7591 1 1 1 1 6921 1 7668 1 1 1 4407 1 6231 1 1 5794 7460 1 6628 1 1 1 5779 1 8014 1 1 1 4848 1 1 1 1 1 1 7154 1 1 1 1 1 1 1 5219 1 1 1 1 1 7427 1 1 1 1 5235 1 1 576.4656 *576.4717* C31 H65 Cl N4 O3 8954 60925 1 1 149251 1 115286 117625 1 162155 225292 1 1 1 145721 7971 6194 1 5683 1 1 93962 101671 6860 1 62827 159283 1 1 1 152420 163342 1 18828 1 24797 216764 386414 7708 150584 8489 1 1 31505 1 162322 91882 1 187494 197291 289254 260311 1 1 1 144748 295873 562322 1 283109 7408 120477 1 1 262813 19597 1 1 262515 6372 66099 63795 55034 5941 7560 1 174217 1 6582 6231 67073 7286 69770 1 127752 1 101172 190397 1 1 576.4717 *576.936* 576.936@1.0340197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2971 1 1 1 1 10837 1 1 6832 7711 8782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4785 6384 576.936 *577.2671* 577.2671@1.095144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 577.2671 *577.2844* 577.2844@1.0729847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3349 1 1 577.2844 *577.3117* 577.3117@1.061136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 577.3117 *577.3295* 577.3295@1.0438887 1 1 1 1 1 1 9632 1 1 10589 1 1 8024 8106 1 9391 5955 1 1 1 1 1 9927 1 1 1 1 1 1 1 12709 1 1 1 1 3428 1 10767 1 8661 10601 10585 6528 1 1 1 9579 1 10959 1 1 1 8473 1 1 1 14250 1 1 1 1 8612 1 5947 1 1 1 1 13512 1 8229 1 1 1 7956 1 1 1 1 1 1 9782 13232 12905 1 1 8368 6577 7387 1 577.3295 *577.3307* 577.3307@1.0402788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.3307 *577.4441* 577.4441@1.127425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.4441 *577.4744* 577.4744@1.0816846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 577.4744 *578.1578* 578.1578@0.9113431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 3395 3533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8776 1 1 1 1 1 1 1 1 1 1 1 1 1 578.1578 *578.243* 578.243@1.9591784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11554 10160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.243 *578.254* 578.254@1.1737642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6090 6094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.254 *578.3326* 578.3326@1.0403953 1 1 1 1 1 1 29379 1 1 29013 1 1 22035 21738 1 27493 17917 1 1 1 1 1 21489 1 1 1 1 1 45967 1 47164 1 1 1 12758 12584 1 29439 1 23637 29782 32402 16437 1 1 1 27413 1 30173 1 1 1 23792 1 1 1 39857 1 1 1 1 21714 1 15578 1 1 1 1 41149 1 18081 1 1 1 23506 1 1 1 1 1 1 28949 37476 36088 1 1 23047 24739 25228 1 578.3326 *578.3781* 578.3781@2.821374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4410 5263 1 1 1 1 1 1 8388 7889 5158 6158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10524 9112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6052 1 1 1 11397 1 6087 15741 6946 8630 1 1 1 8944 578.3781 *578.3791* 578.3791@2.5599697 7923 6761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10334 11744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13181 6114 1 1 1 1 578.3791 *578.3798* 578.3798@2.651525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7571 6499 1 1 1 1 578.3798 *578.4049* 578.4049@1.1189741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.4049 *578.4151* 578.4151@1.0934395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.4151 *578.4288* 578.4288@1.1122043 1 4163 1 1 1 1 1 1 1 1 1 1 1 4919 1904 1 1 1 1 1 1 1 1 1 1 2391 1 1828 1 3150 1 2187 1 31501 1 1 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 10709 4196 4158 25550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2519 1 1 1 1 1 1 1 578.4288 *578.44* 578.44@1.1084088 1 1 1 1 1 1 1 1 1 1 1 45218 1 1 1 1 1 1 1 1 1 1 1 2369 2437 1 1 1 4045 1 1 1 4242 1 1 1 1 1 1 1 2567 1 1 1 1 1 1715 1 1 1498 1896 1 1 2312 1 1493 1 1 1 1 5015 1 1 1 1 1 1 1 4811 1 1 1 1 1 1 1 1 1 1 1 5386 1 1 1 1 1 1 1 1 1 578.44 *578.4513* 578.4513@1.1187974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3768 1 1 1 1 1 1 1 1 1 1 1 1 578.4513 *578.4706* 578.4706@1.11055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 1 1 1 1 1 1 1 1 1 1 1652 1 1 578.4706 *578.48* 578.48@1.0888898 1 1 1 1 1 7200 4286 1 1 8563 1 1 1 1 1 1 1 1 1 1 1 7324 1 1 1 1 1 7908 1 1 1 1 1 1 1 1 5973 1 1 1 1 10581 1 1 1 26749 1 4477 1 1 1 9068 7511 1 1 1 8572 7365 4484 4774 9463 1 1 1 1 1 1 1 1 1 1 1 6334 1 5612 1 1 1 1 6807 1 5919 1 1 4739 1 1 1 1 1 578.48 *578.4847* 578.4847@1.0559578 7143 45387 1 1 95150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83819 1 1 64981 1 1 1 1 1 1 1 1 19590 19544 195293 1 1 1 1 1 1 25653 1 126495 84496 1 16373 1 1 1 1 1 1 1 285279 1 1 1 1 68009 1 1 1 1 1 1 1 1 1 1 40351 1 1 1 138977 1 1 1 49207 1 56591 1 90186 7488 95991 1 1 1 578.4847 *578.9386* 578.9386@1.0303421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.9386 *579.0111* 579.0111@1.0852401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11072 10891 1 1 1 10016 1 1 1 8791 1 1 1 1 1 1 1 1 1 1 4357 1 1 1 579.0111 *579.1047* 579.1047@0.7184379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2554 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5734 5091 1 1 1 1 1 1 579.1047 *579.2492* 579.2492@1.2034345 8193 7871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.2492 *579.2501* 579.2501@3.5129132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5467 4511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.2501 *579.3344* 579.3344@1.0422454 1 5037 3495 3855 1 1 1 1 1 1 6475 6839 1 1 5135 1 1 1 1 1 1 1 1 1 1 5260 1 5557 1 1 1 7432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4844 1 1 1 1 1 1 2871 1 1 1 1 1 1 1 1 1 5144 1 1 4759 1 1 5921 1 1 1 1 1 1 1 1 1 1 1 579.3344 *579.3833* 579.3833@2.6290805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6969 1 1 1 1 579.3833 *579.4483* 579.4483@1.0933661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.4483 *579.4865* 579.4865@1.0672331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.4865 *579.4899* C35 H66 Cl N3 O 10109 1 3659 3969 1 19125 1 1 15845 1 1 21472 8256 8452 1 1 9662 9110 9753 1 1 1 1 1 13041 1 16124 14953 36727 1 1 1 19816 19387 1 1 1 1 11948 1 10793 16163 5035 1 31856 1 1 17838 1 1 1 1 10096 1 13472 1 1 1 5553 1 14491 1 3691 1 1 20123 13480 1 1 23452 1 1 1 9559 12070 12165 1 29026 19505 19136 1 10046 1 11816 1 18126 1 1 1 6004 579.4899 *580.1548* 580.1548@1.0596528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3769 1 1 1 1 1 1 1 1 1 1 1 1 580.1548 *580.2351* C31 H48 S5 6075 5434 11108 10930 6771 7485 1 1 1 1 3864 9051 9692 9066 6345 6164 1 1 8918 13430 7987 8275 16553 10057 1 1 7824 8589 17181 16084 8904 9133 10960 14274 1 1 4344 6614 5911 6630 1 1 1 1 13372 12288 1 5198 1 1 1 1 1 1 1 1 7218 6690 8974 12592 1 1 1 1 1 1 1 1 1 1 10209 12392 6447 10512 6582 6621 5928 6219 7640 7105 8889 9196 7411 6844 1 1 1 1 7115 7226 580.2351 *580.2404* 580.2404@1.1541827 1 1 1 1 1 1 1 1 1 1 5542 1 1 1 1 1 1 1 1 1 1 1 1 7568 1 7057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.2404 *580.268* 580.268@0.91567385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14042 14656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.268 *580.3068* 580.3068@1.0443885 1 8798 7737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10397 27932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.3068 *580.312* 580.312@1.0388557 1 1 1 20674 26055 8042 1 30918 1 1 27249 7208 1 1 20885 1 1 1 22483 1 9566 23608 26984 28538 24333 24327 9666 29998 1 1 1 8915 1 19547 1 1 32150 1 29448 1 1 1 1 17516 1 26527 1 36877 1 18549 34506 32993 1 22720 20492 20715 1 1 1 26189 1 1 16173 1 39980 40576 33490 32026 1 1 1 1 6321 1 1 24951 27348 28918 23931 25482 25599 1 1 1 11213 37285 1 1 1 1 580.312 *580.4081* 580.4081@1.1111598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.4081 *580.4204* 580.4204@1.1028979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4669 580.4204 *580.4296* 580.4296@1.1049697 1 1 1 1 7127 1 1 1 1 1 1889 1 2939 1 1 1 1 1 1826 1 2771 1 5438 1 1 1 1 1 31363 14508 1 1 46100 1 1 1 1 3062 1 1 22664 1 1 1 1 14807 2532 1 1 3274 1 1 1 1 4926 1 1 1 1 1 1 1 1 1 1 6839 6257 1 1 1 14423 1 3347 1 4961 1 1 1 1 1 1 1 1 20187 1 1 1 1 9266 1 580.4296 *580.447* C28 H62 Cl2 N8 2754 1 1 1 1 6756 1 2303 16099 1 16356 1 1 1 3720 3122 3193 8114 1 8280 1 1 1 6103 4900 1 7982 10828 1 1 14764 6128 1 1 1 1 1 1 10116 1 1 15307 11310 2975 14218 1 1 1 6344 1 13879 13049 14011 12823 1 14725 24838 40203 13120 4389 1 16200 1 1 1 1 1 1 1 4421 1 1 1 7545 1 7218 17862 19763 8044 3570 1 1 16082 1 1 4392 1 1631 1 1 580.447 *580.4968* C33 H65 Cl N6 14758 1 4276 6202 1 32400 1 1 24972 1 1 32004 11838 11339 1 1 14215 14006 14643 1 1 1 1 1 18396 1 26475 24449 52214 1 1 1 33874 30696 1 1 1 1 17443 1 25220 22867 7623 1 48282 1 1 29464 1 1 1 1 16102 1 20723 1 1 1 41948 1 20171 1 5116 4298 1 24820 18499 1 1 34323 1 1 1 11821 20420 17864 1 42860 27912 27818 1 17231 1 19964 1 28573 1 1 1 8282 580.4968 *580.9435* 580.9435@1.030839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2454 1 1 1 1 1 1981 1 1 1 3400 1 1 1 1 1 1 1 1 1 1 1 1 580.9435 *581.0126* 581.0126@1.0826814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8049 1 1 1 8054 1 2020 4885 4785 5243 1 1 1 1 1 1 1 4053 1 1 581.0126 *581.1297* 581.1297@2.9875476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9593 5259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.1297 *581.1299* 581.1299@3.0825956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7687 6942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.1299 *581.1726* C23 H39 N3 O6 S4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3712 1 1 1 3403 4145 1 1 8879 10528 1 1 15189 14701 1 1 5834 7773 1 1 3763 3904 7423 9185 1 1 1 1 1 1 7947 6511 4221 3502 1 1 16028 14758 1 1 1 1 1 1 1 1 1 1 1 1 4458 4209 1 1 1 1 1 1 15906 13035 1 2828 10349 8866 3157 1 1 1 5307 4988 581.1726 *581.3164* 581.3164@1.0495323 1 1 1 1 1 1 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.3164 *581.3268* 581.3268@1.0372794 1 1 1 1 1 1 2989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 2703 2390 1 1 1 2537 1 1 1 1 1 1 1 1 1 1 1 2724 2481 1 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 1 3080 1 1 1 1 1 1 1 2281 581.3268 *581.3364* 581.3364@1.029252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5216 5231 1 1 581.3364 *581.4162* 581.4162@1.1125811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.4162 *581.4521* 581.4521@1.0788376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.4521 *581.4612* 581.4612@1.0748013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1676 1 1 1 1 1 1 1 1 581.4612 *581.4925* 581.4925@1.051315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3671 1 1 1 1 1 1 1 4522 1 1 1 1 1 5595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.4925 *581.4999* 581.4999@1.0525604 1 3220 1 1 13247 1 5669 10808 1 1 7345 1 1 1 1 4792 1 1 1 3963 3548 4234 1 5356 1 1 1 1 1 10739 1 1 1 1 1 1 1 13161 1 1 1 1 1 1 1 9958 5946 1 6724 5910 1 12921 1 1 1 4535 1 16234 1 8823 1 1 1 1 6832 1 1 1 1 1 1 1 2779 1 1 1 9639 1 1 1 3150 1 3709 1 1 1 8370 8562 1419 1 581.4999 *582.2408* 582.2408@1.2511227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44508 45305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.2408 *582.2439* 582.2439@1.6082935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3983 1 1 1 582.2439 *582.244* Biliverdin IX - 1.6412624 9981 1 10713 11274 9116 8466 1 1 7472 6864 11784 13783 6124 1 1 1 1 1 7829 11277 1 8040 14442 11671 1 1 9340 8602 14034 13296 9670 8464 12503 14360 1 1 1 1 8115 9199 10270 10436 1 1 9761 10463 1 8679 10282 7360 8313 5505 6262 1 1 1 9889 2702 13341 9753 1 1 1 1 1 6202 1 1 1 1 10400 10108 1 9106 10387 11009 10850 9968 13981 13874 13401 16097 13451 15728 7721 8152 7978 7625 1 12372 HMDB02309 C00500 582.244 *582.2445* Biliverdin IX 15455 14712 23839 23764 14330 17488 7624 12040 12169 11759 23184 24453 13154 16275 13061 10623 8440 7246 24913 23887 13581 13692 18716 39906 8178 11151 16636 19648 22076 21890 12735 13466 33456 31647 10408 9349 10980 13249 12097 7005 16424 18350 10294 11445 18130 18486 13478 7390 18878 17833 11525 9123 9642 11117 9953 10934 19428 17690 22679 19170 9907 10082 6594 1 8959 11892 10584 12210 15836 16430 22794 25623 14131 15039 17210 22052 17168 17963 21716 23947 34971 30759 27345 31207 15052 13049 13189 17185 31740 16740 HMDB02309 C00500 582.2445 *582.2447* 582.2447@2.0749643 1 1 1 5687 1 1 1 1 1 1 9264 12110 1 1 1 1 1 1 9881 8969 1 1 14135 9989 1 1 1 1 1 1 1 1 16470 16230 1 1 1 1 1 1 1 1 1 1 1 4685 1 1 1 1 1 1 1 1 1 1 8915 8270 8996 8539 1 1 1 1 1 1 1 1 1 1 9794 7683 1 1 1 1 1 1 9476 13727 13169 12983 7849 11179 1 1 1 1 1 1 582.2447 *582.2454* Biliverdin IX - 1.1844323 6762 1 10097 10338 5351 5023 1 1 3396 3194 7829 6841 5480 4246 3921 4145 4659 1 5402 6269 6619 7514 1 6408 3797 1 6178 5855 15219 22730 1 7911 8899 8865 1 1 1 6272 5865 5980 1 3734 8335 4698 6758 8635 4684 3895 6551 5926 1 1 4397 4275 3912 2210 1 16169 8230 15204 3431 1 1973 2388 124546 125160 3302 3438 3886 4468 1 6050 1 5754 5225 5587 5095 1 6033 6640 8151 7155 4958 4024 1 4544 4882 3905 5402 5797 HMDB02309 C00500 582.2454 *582.2507* 582.2507@1.1865814 1 5853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7692 1 1 1 1 8030 1 1 1 1 1 1 1 5975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.2507 *582.2908* 582.2908@0.9412146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20002 28549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.2908 *582.3209* 582.3209@0.8140886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.3209 *582.3225* C21 H34 N20 O 14922 14685 13574 1 1 17845 19861 1 12808 11791 1 18536 15027 15517 1 12251 8758 9291 1 1 15373 1 1 1 1 1 20899 1 16127 16690 1 16708 12678 1 9047 8764 1 1 1 20229 12640 12553 11254 1 16357 1 24856 1 10241 1 1 1 14627 1 1 1 12060 12374 17803 1 12761 12195 1 10399 1 1 1 1 14163 14781 16426 1 11859 12571 16020 1 1 1 1 1 1 1 14511 13777 27800 1 18349 18100 10055 9431 582.3225 *582.4168* 582.4168@1.0983844 1 2125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.4168 *582.4355* 582.4355@1.1169136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3867 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 582.4355 *582.4387* 582.4387@1.0955018 1 1 1 4990 6909 15098 1 5103 1 9421 1 12224 1 1 7320 6824 6588 1 1 1 6051 4085 8740 14037 12981 10046 1 1 1 9946 1 12337 1 1 1 1 17588 12804 1 1 1 1 1 1 1 11541 4970 5638 1 1 1 1 1 1 10321 1 1 1 1 6702 10022 1 1 1 20624 8417 16349 1 1 1 1 6429 5182 1 4628 1 1 1 1 1 6412 5519 1 1 1 8850 1 1 7572 6666 582.4387 *582.4506* 582.4506@1.0791585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13620 1 1 1 6782 1 1 1 1 1 13085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5379 15895 14787 1 1 1 1 1 1 1 1 1 8960 1 1 1 1 1 1 1 1 1 1 582.4506 *582.4597* 582.4597@1.0682452 1 4241 1 1 1 1 1 1 1 1 1 1 1 5544 1 1 1 1 11808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.4597 *582.4765* 582.4765@1.0536729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4962 1 4281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3696 1 1 1 1 1 1 1 1 1 1 1 5760 1 1 1 1 1 1 2336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.4765 *582.4963* 582.4963@1.0513598 1 1 1 1 1 1 5965 1 1 1 7159 1 1 1 1 5158 1 1 1 2309 1 1 1 1 1 1 1 1 1 8256 1 1 1 1 1 1 1 12468 1 1 1 1 1 1 1 8536 6779 1 4819 5431 1 1 1 1 1 4141 1 12999 1 9167 1 3129 1 1 5008 1 1 1 1 1 1 1 1 1 1 1 7405 1 1 1 4337 1 1 1 1 1 35166 23507 1 1 582.4963 *583.237* 583.237@1.186495 1 1 1 1 1 1 1 1 2888 2492 1 1 1 2659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.237 *583.2477* 583.2477@1.4980404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6239 583.2477 *583.2935* 583.2935@0.92697793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.2935 *583.296* 583.296@0.9770662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.296 *583.3216* 583.3216@1.0371748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.3216 *583.4457* 583.4457@1.0894129 1 1 1 1 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6577 1 1 1 1 1 1 1 1 1 1 3853 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4209 1 1 1 1 1 1 1 1 3950 1 1 1 1 1 3504 1 1 1 1 1 1 1 583.4457 *583.4561* 583.4561@1.0771661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7296 3012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.4561 *583.5048* 583.5048@1.0505348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 1 1 1 1 1 1 1 1 583.5048 *584.1666* 584.1666@0.8985623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.1666 *584.2597* 584.2597@3.9709425 1 1 6681 6884 1 3381 1 1 1 1 5460 5543 5831 5162 1 1 1 1 3928 4113 4479 4441 4216 4447 1 1 1 1 8796 9417 4496 4326 5706 6139 1 1 3671 4159 1 1 1 1 1 1 5712 5650 1 1 1 1 1 1 1 1 1 1 1 1 7134 6868 1 1 1 1 1 1 1 1 1 1 1 1 3737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2597 *584.2599* 584.2599@2.220762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2599 *584.2607* Bilirubin - 1.1929219 10803 6698 15408 1 1 6444 1 1 10801 9468 1 1 6658 6521 4612 3916 1 1 1 6862 10780 9992 1 14843 5080 1 9621 9662 1 1 1 1 12184 1 5454 6487 1 1 8715 5511 1 2891 1 4812 8255 11731 6323 6676 10877 12308 5562 8889 7078 1 6347 6469 9889 1 8634 1 306641 1 5074 4318 8192 4820 1 1 1 1 5068 1 9188 1 1 1 1 1 1 1 14604 15019 1 1 4303 4072 1 1 1 10925 HMDB00054 C00486 584.2607 *584.2608* 584.2608@2.202983 1 1 1 1 1 1 1 1 1 1 4496 6053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7559 4762 1 1 2065 9106 1 1 6617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6295 9967 1 1 1 1 1 1 1 1 1 1 6729 1 1 4784 1 1 1 1 1 1 1 9754 1 1 1 1 1 1 1 1 584.2608 *584.2628* 584.2628@1.0633265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457296 584.2628 *584.2635* Bilirubin 467601 465518 483255 500994 258278 253951 106123 86362 281346 281417 462985 458410 414464 421641 242438 236634 238928 251729 624381 619724 442946 451714 701784 710477 210294 227987 493642 490544 614468 619184 366681 381412 753304 744914 303247 300949 8786 9320 502072 499082 352559 347769 353233 363120 542089 551082 297383 294096 418466 403633 384423 375066 333768 324338 303974 319195 359906 375650 735043 738258 4827 305762 154728 158148 259719 271748 224817 224343 317708 313297 826966 813317 411322 413320 441458 467966 372975 369569 538992 556783 747879 725302 508974 520942 170715 191671 407407 400535 570893 116247 HMDB00054 C00486 584.2635 *584.2662* 584.2662@1.1936352 1 1 1 1 1 1 4299 1 1 1 10210 10197 1 1 1 1 1 1 1 1 1 1 1 1 1 5340 1 1 1 1 1 6408 1 1 1 1 1 1 1 1 4429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4530 1 1 1 1 6988 7555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2662 *584.2714* C35 H40 N2 O4 S 6216 6454 8286 10162 5245 4727 4716 1 4418 4053 8108 8076 7246 7241 5441 5314 1 1 8488 14793 10847 9920 5881 6546 9475 9379 7689 8139 1 6512 5415 6923 9310 6181 1 1 9498 9713 7365 7304 6029 1 11128 7187 9718 7219 5684 1 4475 1 7666 1 7155 7217 8783 8591 7153 6399 9501 8238 1 1 1 1 6043 5713 5702 5791 1 1 7667 7736 1 6898 4873 5152 9784 9409 8115 7376 12995 12639 10550 11137 7515 6628 8542 8578 1 1 584.2714 *584.2732* 584.2732@2.1788142 5682 1 1 1 1 1 6108 8954 1 1 5670 1 1 1 1 1 1 1 5068 7838 1 1 1 1 1 1 1 1 1 1 1 1 7890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2732 *584.2751* 584.2751@2.1520684 1 1 1 1 1 1 3370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2751 *584.2991* 584.2991@0.98879087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8583 13656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2991 *584.3166* 584.3166@5.8301897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6151 5914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.3166 *584.4398* 584.4398@1.137318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.4398 *584.4551* Rhodovibrin 1 1 1 1 7069 7453 1 1 6297 4948 8154 7897 1 1 4015 4337 3761 1 3000 1 7318 1 4814 1 1 1 3769 3615 10116 13703 3820 5268 1 9632 1 1 1 1 1 1 1 4933 1 1 7481 5529 4369 4606 1 4998 1 14487 2302 5429 1 3771 16817 14583 10698 5119 4745 3708 1 1 1 12270 8012 10772 9983 6946 5205 1 1 1 1 2823 8925 8248 4669 5351 1 3881 4854 3632 4330 1 1 1 4583 1 584.4551 *584.467* 584.467@1.0690931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2494 3153 1 5328 1 1 1 1 1 1 1 1 1 1 7163 1 3852 9108 1 1 1 1 1 4026 6868 1 1 1 1 1 1 1 1 1 1 1 3711 1 2778 1 1 1 1 1 1 6387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3988 1 1 1 1 584.467 *584.6892* 584.6892@1.0493082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.6892 *584.7037* 584.7037@1.0470196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.7037 *584.7467* 584.7467@1.0521581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3614 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4059 3772 1 1 1 1 1 1 1 1 584.7467 *584.7566* 584.7566@1.0539917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1420 1 1 1 2827 1 1 1 1 1 1706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3817 1 1 1 1 1 1 1 1 1 1 4908 4929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 584.7566 *584.8313* 584.8313@1.0603511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.8313 *584.8499* 584.8499@1.0544511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.8499 *584.8811* 584.8811@1.0524353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.8811 *584.8979* 584.8979@1.0514477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.8979 *584.9173* 584.9173@1.046665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.9173 *585.0514* 585.0514@1.103289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7305 8970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7965 6542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.0514 *585.0719* 585.0719@1.0548204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 1 1 3804 1 1 1 1 1 1 1 1 1 1 1 1 5866 1 1 1 1832 1 1 1 3511 1 1 1 1 1 1 1 2644 1 1 585.0719 *585.2377* 585.2377@2.7989678 1 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8136 8616 1 1 1 1 585.2377 *585.2385* 585.2385@1.7592113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3978 3462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.2385 *585.2397* 585.2397@1.7038466 1 1 1 1 1 1 1 1 12140 7399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2382 10897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13802 15950 1 1 1 1 585.2397 *585.2483* 585.2483@1.6415198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.2483 *585.2633* 585.2633@1.1860573 1 4028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3775 1 1 1 1 1 1 1 1 2678 1 2820 1 1 1 1 4216 1 1 1 1 1 3962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3481 3389 1 1 1 1 1 1 1 1 1 1 1 1 1 585.2633 *585.3832* 585.3832@1.1045748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.3832 *585.4278* 585.4278@1.092342 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4057 3286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.4278 *585.4527* 585.4527@1.1355999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.4527 *585.5899* 585.5899@1.062413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.5899 *585.8096* 585.8096@5.5331044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1153 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1523 1 1 585.8096 *586.2734* 586.2734@1.0729342 1 1 24417 1 1 1 1 1 1 1 1 1 1 1 1 13166 1 1 1 1 1 1 1 1 12228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12912 1 1 1 1 1 1 18404 1 1 1 1 1 1 1 1 1 7753 1 18416 1 1 1 1 1 1 4858 17053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.2734 *586.2748* 586.2748@2.1254554 1 1 1 1 1 1 1 1 1 1 20727 16919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15832 19356 1 1 1 1 1 1 1 1 1 1 8406 9720 1 1 1 1 1 1 1 1 1 1 586.2748 *586.2903* 586.2903@1.069644 1 1 1 1 1 18495 6690 16357 1 1 1 1 1 1 16587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9908 1 1 1 1 1 586.2903 *586.305* 586.305@1.04733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23076 1 1 1 1 1 1 1 1 1 1 1 1 1 22923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.305 *586.3238* 586.3238@1.0299852 1 1 6950 1 1 1 1 1 1 1 8135 13241 7735 1 1 1 1 1 1 1 1 1 1 1 1 1 5898 3738 2861 4346 1 9229 1 4371 1 1 20064 1 1 1 1 1 4370 1 1 10568 1 1 1 1 1 1 8441 1 1 1 4517 8452 13848 1 1 2636 1 6909 21009 1 1 1 14035 1 1 4675 6558 1 6572 1 1 1 1 1 1 5406 6640 4480 1 1 1 1 1 1 586.3238 *586.3253* 586.3253@1.0300776 1 1 1 4108 10035 1 1 1 1 1 1 1 1 3126 1 1 8856 8718 2431 4213 4668 5364 1 1 1 1 1 1 1 1 9523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20291 21684 1 4328 1 1 1 1 1 6277 1 1 1 9292 1 1 1 1 1 22060 1 17923 1 1 1 1 1 1 1 1 8394 12260 5294 6118 1 1 1 1 16636 1 16338 16348 1 1 586.3253 *586.3378* 586.3378@1.0309762 1 1 1 1 1 1 28028 26594 11895 3747 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4057 6326 1 1 1 1 1 1 1 7186 1 1 1 11685 1 1 7736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16493 1 1 1 1 586.3378 *586.3883* 586.3883@1.0900054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.3883 *586.4144* 586.4144@1.0773823 1 1 1 1 1 1 1 1 2198 1 1 1 1 1 1 1 1 1 1 1 1 1 5250 4888 1 1 3265 1 1 1 1 6932 1 2328 1 1 1 2112 3601 1 3758 1 1 1 1 1 1 1 1 2299 1 1 3190 3356 3140 2928 1 1 1 1 6046 4043 1 1 4293 2378 1 4199 1 1 1 1 1 1 1 1 3010 1 1851 2166 1 1 1 1 2906 1 1 1 1 1 586.4144 *586.4203* 586.4203@1.0739726 1 1 1 1 5406 11614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3667 8337 22126 1 1 1 1 1 1 1 1 1 2570 1 1 1 1 5121 10217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2309 1 19618 18403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.4203 *586.4292* 586.4292@1.071995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9829 37327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.4292 *586.4713* 586.4713@1.044194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.4713 *586.4869* 586.4869@1.0597581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 3567 1 1 1 1 1 1 6382 7539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5281 1 1 1 1 1 1 1 1 1 1 586.4869 *586.4965* 586.4965@1.0667623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4353 1 1 1 3416 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 4796 1 1 1 3150 1 1 1 1 1 3361 3160 1 1 1 1 1 2870 1 1 1 1 1 1 1 1 1 1 3201 3163 1 1 1 1 1 1 1 1 4472 1 1 1 1 1286 1 11317 1 1 586.4965 *586.5017* 586.5017@1.0718529 1 1 1 1 1 1 4254 3956 1 1 1 1 1 1 1 1 1 1 3398 1 4093 4467 3084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1 1 1 1 7328 1 1 1 586.5017 *587.0735* 587.0735@0.75868547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5888 5504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.0735 *587.2726* 587.2726@1.0779102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.2726 *587.2803* 587.2803@1.0682073 1 1 1 1 1 1 1 1 1 2047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4362 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1427 2991 2364 1 1 1 4379 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.2803 *587.305* 587.305@1.0540172 1 1 1 1 1 1 1 1 1 1 5657 1 1 1 1 1 1 1 1 5753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 1 1 1 1 4098 1 1 6690 1 1 1 4555 1 1 1 1 1 1 1 1 1 1 1 3406 3581 1 1 1 1703 1 1 1 1 1 1 1 1 4715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.305 *587.3063* 587.3063@1.0472465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4580 1 1 1 1 1 1 1 1 1 1 1 1 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.3063 *587.3192* 587.3192@6.362099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3426 3853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.3192 *587.3197* 587.3197@6.4651275 19087 19569 9432 9269 5722 5681 5383 4992 6685 6784 14390 13167 7863 8387 3714 3610 4244 4156 30840 31334 11645 12602 24893 25670 11964 12685 5502 5394 11091 10768 6460 6397 6925 6638 5471 5343 4507 4905 3950 3382 3337 3426 10720 11222 19354 20143 12990 12609 9344 9627 8152 8290 1 1 5726 5800 8270 8039 7534 7717 6994 6910 4298 4547 16936 17277 9507 8816 11337 10889 41619 49258 5280 5417 5818 5561 9017 9617 5878 6825 11815 10529 5150 5180 5272 4958 5686 5648 5014 5189 587.3197 *587.3242* 587.3242@1.0373093 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.3242 *587.3356* 587.3356@1.0352169 1582 1 1 2855 1 1 1 1 1 3567 1 1 1 1 3393 1 1 1 1845 1 3646 3830 2637 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 5093 3792 1 1 1 1 1 1 1 1 1 1 1 1 6523 1 1 1 1 1 1 1 5166 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 587.3356 *587.3491* 587.3491@1.0202142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.3491 *588.1675* 588.1675@3.3637202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9423 3773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.1675 *588.2905* 588.2905@2.0326207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.2905 *588.2917* 588.2917@2.0576499 1 1 1 1 1 1 1 1 1 1 2195 12290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14677 10437 1 1 6876 7487 1 6563 1 1 1 1 1 1 1 1 1 1 9269 9215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11208 5877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.2917 *588.2921* 588.2921@1.3354244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.2921 *588.2922* 588.2922@5.4219565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2945 3188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.2922 *588.2925* 588.2925@1.1592517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13066 11731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 1 1 1 1 1 1 1 1 1 1 1 1 1 5367 4831 7986 1 1 1 1 1 1 1 588.2925 *588.3014* 588.3014@1.0935006 7991 1847 42088 10305 23265 8163 10107 1 1 1 16736 18654 8230 8130 20683 1 1 1 1 10924 6275 3944 1 9135 1 3200 9696 27839 13108 6727 4294 4707 15301 10747 1 1 1 1 9234 10413 1 1 1 1 6372 11832 1 3022 7761 9650 1 4655 14774 6121 8936 1 3249 1 1 1 5499 5626 6817 3190 1 1 21703 31364 1 2210 11017 11558 25343 20494 2257 4532 1 5047 7738 7145 20245 20375 5748 7337 6409 12663 1 1 17152 15306 588.3014 *588.3057* 588.3057@1.0676489 2513 1 1 1 1 1 1 1 6574 5391 15487 15157 1 1 1 3967 1 1 14191 1 1 1 4826 1 1 49035 1 1 43991 7446 1 1 1 1 2909 7631 11709 3777 1 1 37548 1 1 1 1 1 1 1 1 1 17392 1 1 13716 1 14058 1 1 1 1 2655 1 1 14727 1 1 38323 1 1 23200 1 1 1 1 7937 9447 22115 1 15284 4068 1 1 1 21702 1 1 1 1 1 1 588.3057 *588.3183* 588.3183@1.0614994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7028 15078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.3183 *588.3324* 588.3324@1.0365515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.3324 *588.3422* 588.3422@0.7018212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4976 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.3422 *588.3523* C31 H54 Cl2 N2 O4 1 1 4663 4511 4177 3585 1 1 1 4398 1 5469 3697 1 1 3380 1 1 1 1 3634 1 1 1 3851 1 2113 1 1 1 6453 5038 1 6638 1218 1 1 1 1 5304 1 3029 1 1 4749 4431 1 7689 2846 3539 1 7544 1 1 5554 4637 5492 1 7086 7524 1288 1454 1 1842 5058 1 1 1 3744 1 3446 2817 3108 3145 1 3539 1 1 3474 5418 5025 4132 3943 2318 1 4289 1 7772 1 2747 588.3523 *588.3554* 588.3554@1.0341412 1 7162 1 1 1 1 1 1 1 1 4057 1 1 3532 1 1 1 1 4012 1 1 5568 1 3215 1 1 1 1 1 1 1 1 1 1 1 1 7355 6820 1 1 1 1 1 1 1 1 8580 1 1 1 6786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7331 1 1 1 588.3554 *588.3592* 588.3592@1.0319338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3083 1 1 1 1 1 1 1 1 1 1 3767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 5005 1 1 1 1 1 588.3592 *588.3895* 588.3895@1.0039327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.3895 *588.4006* 588.4006@1.0936332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56952 57213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66984 1 1 1 1 1 1 1 1 1 1 1 1 1 6746 1 1 1 1 39592 42137 1 1 1 1 1 1 1 1 1 1 80570 77852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.4006 *588.4191* 588.4191@1.0787116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10045 1 1 1 1 1 1 1 1 1 1 1 12673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.4191 *588.4335* C37 H61 Cl O3 3085 5304 3564 1 11676 12158 4761 5118 7878 5539 10638 10443 1 6875 7247 7109 1 1 6962 5879 28377 31833 11307 10756 9413 10144 10243 10549 89074 5286 12149 1 1 6409 1 1 8760 8764 9950 10637 1 1 4464 5061 90420 92403 1 4484 8743 8936 1 1 3958 1 1 1 28482 1 1 12207 2894 24459 18839 4452 1 5869 14723 15530 1 1 1 7933 7047 6591 1 9083 13580 1 10523 1 1 1 8664 9286 12819 14435 6362 7961 5842 5327 588.4335 *588.4431* 588.4431@1.0661166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100455 99111 1 1 69263 68504 1 1 1 1 18449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.4431 *589.3342* 589.3342@6.4636755 1 1 1 1 1 1 1 1 1 1 1 1 1 12203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4221 1 1 13356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5832 1 1 1 589.3342 *589.3357* C24 H55 N5 O5 S3 147828 148451 92509 124495 82441 109786 123489 117287 156495 159747 125659 102227 103109 100398 126467 124085 52802 54113 193155 192452 104853 105549 98443 125842 122414 152119 127898 123758 119424 94666 138101 138822 90068 89665 81703 87042 113304 104336 108987 107634 106729 109523 100778 125315 92853 92250 164399 165113 93614 95273 276678 275452 47286 47877 123376 121815 247457 249187 174354 175311 160831 161343 95868 96139 78562 79883 123932 125917 197768 201632 117851 82895 109674 110559 98777 98447 164702 165428 99081 104067 154673 152682 118481 118511 105928 73374 253119 204883 101250 80366 589.3357 *589.3359* C28 H55 N5 S4 9688 11188 7658 9802 7120 9509 8478 8350 13103 13067 8615 9956 7928 7564 7622 8014 1 1 12864 12644 11550 11503 9396 8912 10090 9971 8002 7660 6813 8478 11038 11076 5423 6397 7122 6882 11250 9540 9742 8239 7306 5628 10050 10261 6956 5934 12866 11050 9434 9303 14590 23310 3443 3100 9783 9978 20371 16844 9862 14262 11608 13601 7451 8514 6195 6518 8636 9525 13846 13758 9883 9255 7416 8415 8442 7883 12221 11512 7817 8436 9176 11792 9947 9408 8302 8508 21203 18069 8322 7879 589.3359 *589.351* 589.351@1.040539 1 1 1 1 1 1 1935 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.351 *589.3907* 589.3907@1.0261041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 6755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.3907 *589.4052* 589.4052@1.0947138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.4052 *589.432* 589.432@1.071682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 1 1 1 1 1 1 1 1 1 1 1 1 589.432 *589.9031* C20 H2 N2 O18 S 50948 50003 50076 50184 53856 53951 57952 57666 55905 56434 46767 47949 53285 51314 59300 57889 54522 56392 68750 68991 55329 54653 53628 55293 66030 65357 54082 52731 52406 53048 50046 48571 52286 53238 54157 53097 52635 53760 52852 51545 56458 55714 47566 47845 53035 53248 51670 50789 54211 53957 56018 57582 58136 57593 51470 50154 52329 54911 52839 50944 46805 48896 53712 54252 53827 55843 60908 62467 60181 59438 67784 66660 47844 48858 52121 52446 50277 50286 51735 52716 55923 57231 54812 54767 57409 56924 64249 63137 49251 49977 589.9031 *590.1676* 590.1676@1.9516579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 8869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.1676 *590.1686* 590.1686@1.9673877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.1686 *590.181* 590.181@1.136167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 590.181 *590.3058* 590.3058@1.3429571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.3058 *590.3074* 590.3074@1.149762 1 1 1 1 1 8350 1 1 1 1 1 1 1 5201 1 1 1 1 1 1 1 1 6997 8581 1 1 1 1 1 1 1 1 1 15977 1 1 1 1 1 1 1 1 1 1 1 1 1 2570 1 4374 1 7274 1 1 1 1 1 1 1 1 1 1 1 1 1 3880 1 1 2611 1 8300 8540 1 1 1 1 1 1 1 3914 1 1 1 1 1 1 1 1 1 1 590.3074 *590.3097* 590.3097@2.0821877 1 1 1 1 1 1 1 1 1 1 7333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.3097 *590.3108* 590.3108@2.1039534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13500 13899 1 1 19111 5363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10364 9057 7947 34518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.3108 *590.3117* D-Urobilinogen 8927 3298 2490 16925 3614 14481 14475 13046 15401 8694 1 1 15969 6323 1 17622 5021 3908 1 1893 12647 41585 9507 8323 19245 1 19897 1 1 17330 10867 11741 15358 10959 4518 1 6820 7137 6385 6955 1 54362 1 1 90725 20297 11860 8224 16900 8916 8056 36492 3232 1 5216 1 9132 8490 7566 6738 11910 11075 10713 1 9866 24549 17366 18902 45053 1 48293 46040 1 1 13649 11291 4466 19194 3289 10277 1 1 21630 1 1 1 1 3031 1 1 HMDB04158 C05791 590.3117 *590.3204* 590.3204@1.0632437 1 1 1 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4011 1 1 1 1 6952 38495 40279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5326 1 1 1 590.3204 *590.3796* 590.3796@1.0242897 4646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.3796 *590.3889* 590.3889@1.0279866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 590.3889 *590.4125* 590.4125@1.0207479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4125 *590.4332* 590.4332@1.0991802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6205 7632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4332 *590.4438* 590.4438@1.1089802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4448 1 1 15590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5003 4071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4438 *590.4513* C34 H67 Cl O3 S 30115 30054 15540 14863 51695 52705 205373 204022 381029 150886 45904 43725 131146 29956 31585 336231 18720 18088 51212 51281 4643 1 51699 52170 39181 39416 175680 40459 1 97834 45845 48237 74383 55908 119328 18567 45372 45323 48235 49049 58178 56955 18823 19544 1 1 42135 40658 58834 47134 1 1 50949 50797 1 1 137362 126414 62676 60599 98963 96284 4187 117347 66848 66853 57099 58805 64982 271716 29637 29324 28357 26400 45963 46496 60033 58765 43091 212380 36815 36603 36143 36095 70031 71043 36461 138277 29607 30962 590.4513 *591.2672* 591.2672@1.0662682 1 1 1 1 1 1 6810 7952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3465 1 3872 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4098 1 3779 4501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3001 4387 1 1 1 1 1 1 1 1 5989 6136 591.2672 *591.2789* 591.2789@1.0663351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4501 4285 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 1 1 3966 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5395 1 1 1 1 1 1 1 1 1 1 1 1 5731 1 1 1 1 1 1 1 1 1 4362 3754 1 1 1 1 591.2789 *591.2943* 591.2943@1.0692415 1 1 1 1 1 1 1 1 1 4322 5373 4997 1 1 1 1 1 1 1 1 1 1 5057 4168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3380 1 1 1 3992 4380 1 3770 1 1 1 1 3541 3614 3106 1 4033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5898 1 1 1 1 3922 5179 1 5420 1 1 1 1 1 1 591.2943 *591.3104* 591.3104@1.125753 1 1 1 1 1 1 1 1 1 1 1 1 1 4640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6484 1 1 19843 10107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3479 6844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.3104 *591.3491* 591.3491@6.4142303 1 1 24341 1 18824 1 1 1 1 1 1 20486 1 1 1 1 1 1 1 1 33439 23403 21101 1 22328 1 1 1 1 23742 1 1 1 1 1 1 20065 20021 1 1 1 1 20034 1 1 1 1 1 29981 30619 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3517 3123 1 22691 1 1 1 1 1 1 1 1 2856 1 1 1 1 28001 1 43096 1 21645 591.3491 *591.3492* 591.3492@6.333141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4838 1 1 591.3492 *591.4551* 591.4551@1.0673671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.4551 *591.9134* 591.9134@1.1163464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.9134 *592.101* 592.101@3.4993682 1 1 1 1 1 1 4826 4510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.101 *592.321* 592.321@1.2748703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5644 1 1 1 1 1 1 1 1 1 1 1 1 1 5554 6644 1 1 1 1 1 1 1 1 592.321 *592.3276* C27 H51 Cl3 N8 26141 1 1 41107 42279 40006 61630 54986 67158 65868 59112 55920 36294 39842 77238 75036 44436 43620 28027 28765 29819 1 42548 39422 50322 1889 52311 38212 1 48173 48929 58532 48777 40550 22190 20928 19934 22477 3715 2316 1 1 28648 27361 1 85427 44303 50310 30547 31838 25271 1 30223 25963 31151 38488 62966 61909 32579 29487 23311 27564 37890 33815 11999 1 95898 105450 1 51818 1 1 39491 20518 35515 33220 62510 67811 50887 48870 44852 45661 52374 51419 20219 19936 25086 28992 50091 51641 592.3276 *592.3521* 592.3521@6.430149 1 1 8408 1 7647 1 1 1 1 1 1 7953 1 1 1 1 1 1 1 1 1 10112 9241 1 9272 1 1 1 1 8694 1 1 1 1 1 1 9178 8864 1 1 1 1 7509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16876 1 1 592.3521 *592.3656* 592.3656@1.0203427 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.3656 *592.3946* 592.3946@2.1054518 1 1 1 1 1 1 1 13056 1 1 1 1 6676 1 5516 1 1 1 28091 31220 1 1 1 9772 1 1 1 1 11999 3608 1 1 1 6282 1 1 1 1 1 1 1 1 1 1 1 6215 1 1 1 1 1 1 1 1 5985 1 5214 1 10238 10969 1 1 1 1 1 1 1 1 1 1 16399 18584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.3946 *592.3947* C38 H56 O3 S 20113 19228 1 1 8749 1 28028 15626 1 1 1 1 9982 18107 7411 10457 11040 11702 1 1 12917 10874 24500 12896 16171 20820 1 1 4156 9437 1 1 16112 12427 1 1 33949 41006 42837 42840 7835 12685 1 1 22098 9008 9446 1 1 1 9880 10927 14387 14683 4251 8163 15140 23319 47831 38163 9166 10283 1 1 35186 34559 21069 1 22878 21697 1 1 1 1 17092 17519 14496 11701 10066 12136 27132 31023 9058 1 64125 67020 12397 13154 22919 25234 592.3947 *592.3947* 592.3947@2.4610782 1 1 1 1 1 1 1 1 1 1 1 1 1 8574 6185 1 1 1 11058 8765 1 1 7893 1 5820 12595 1 1 1 1 1 1 5173 1 1 1 11537 19166 16784 14586 1 5847 1 1 5895 8483 1 1 1 1 1 1 1 1 1 1 10990 6517 19525 16610 1 1 1 1 8306 13318 6355 1 1 1 7766 5411 1 1 1 5486 1 1 1 1 12421 11647 5178 1 20146 26889 1 1 8480 9958 592.3947 *592.3953* 592.3953@2.240503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.3953 *592.4639* 592.4639@1.1151578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11922 1 1 1 1 1 1 1 11418 1 1 1 17544 10688 1 11649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9407 1 1 1 1 1 1 1 1 1 1 1 1 4083 1 1 1 7268 1 1 1 1 1 1 4392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4639 *592.4673* C31 H65 Cl N4 O4 85365 85171 42791 42174 201821 203717 1 1 3850 1 141291 138971 1 106814 99619 1 72674 60976 126704 129640 76278 78189 177201 177175 122417 110349 6164 137537 451200 436164 102156 116450 542944 537301 1 42400 198800 194630 188193 188651 217941 214493 51364 51789 264253 272666 109996 107784 185867 148019 320118 319953 211250 211169 211116 210038 563626 577821 202797 206748 399296 390837 37596 1 208581 205906 254895 260109 208570 1 74470 1 82364 76042 153190 154377 208319 204644 160816 1 100041 99315 117162 118472 269218 270912 103736 1 71580 72399 592.4673 *592.7549* 592.7549@1.065601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 3247 1 1 3178 2981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5023 5621 1 1 3610 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.7549 *592.7677* 592.7677@1.0633698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.7677 *592.8489* 592.8489@1.0640574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 5695 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 3455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.8489 *592.8544* 592.8544@1.0716513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.8544 *592.9771* 592.9771@1.0647855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.9771 *592.9856* 592.9856@1.0667446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6699 1 1 1 4831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3607 5410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.9856 *593.0777* 593.0777@1.5619102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11533 593.0777 *593.0779* C29 H11 N11 O3 S 22143 21392 22614 17713 29080 29797 34150 31459 33631 28805 22709 22850 28155 21525 29860 30971 25385 29711 18772 23138 26731 27569 26505 22875 26745 26347 20344 27952 19520 22904 36058 34349 18873 19668 36679 36397 26633 23345 23674 23094 29748 30865 32431 38002 13302 23106 36528 36436 28558 22707 28622 20490 36671 22690 32494 33270 23490 18883 22572 26657 35382 31917 37008 36741 25083 23586 24297 24967 35825 7713 30895 30646 24246 26245 20448 25341 24030 25902 23152 19843 20162 19571 25814 21810 29009 22676 34190 36492 21125 16935 593.0779 *593.102* 593.102@1.0666422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.102 *593.1253* 593.1253@2.167717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6712 6631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.1253 *593.1268* 593.1268@1.0687517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.1268 *593.2132* 593.2132@2.9809155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.2132 *593.214* 593.214@2.9368634 1 1 1 1 1 1 1 1 13701 5875 1 1 1 1 1 1 1 9743 1 1 1 1 13066 13222 1 1 1 1 1 1 12363 9834 1 1 1 1 1 1 9923 12297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12790 1 1 1 1 1 1 1 1 7598 10871 2314 1 10472 15109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.214 *593.3236* 593.3236@1.0829948 1 1 5509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.3236 *593.3287* 593.3287@1.0981122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8369 1 1 8091 1 1 1 1 1 1 1 1 1 1 1 5536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.3287 *593.3617* 593.3617@6.423107 3186 1 1 2902 1 1 1 3909 2961 1 1 1 1 1 1 1 1 1 3665 4060 1 1 1 3020 1 3575 3714 1 2919 1 1 1 1 1 1 1 1 1 3033 3366 1 1 1 1 1 1 3918 3848 1 1 3812 3528 1 1 3352 1 5678 5568 4254 3429 1 1 1 1 1 1 1 1 4401 4297 3655 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 6441 6206 1 1 1 593.3617 *593.4682* 593.4682@1.1092392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.4682 *593.8647* 593.8647@1.0647465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.8647 *593.9183* 593.9183@1.1037273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.9183 *594.0734* 594.0734@1.5072792 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 1 1 1 1 2327 2692 1 3529 1 1 3401 4373 3518 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 5400 1 1 1 1 8199 1 9263 1 8851 1 1 1 8244 1 1 1 4477 1 1 1 1 1 1 1 9055 1 1 9571 1 5664 4440 1 1 1 1 1 1 1 1 1 1 1 1 9268 1 594.0734 *594.0741* 594.0741@1.5505062 1 1 1 1 1 1 1 1 1 1 1 1 1 5951 1 1 1 1 1 1 1 1 1 1 1 4392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.0741 *594.1501* 594.1501@1.0558517 1 1 1 1 1757 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11328 11439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16783 17047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19401 19700 1 1 1 1 67621 70900 1 1 1 1 1 1 1 1 1 1 1 1 594.1501 *594.2558* 594.2558@1.1585374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14451 13792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.2558 *594.2605* 594.2605@3.3038251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7468 6889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7905 8231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.2605 *594.3329* 594.3329@1.0684549 1 1 19700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31029 1 1 18320 1 1 1 1 1 1 1 1 1 1 1 17602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18011 15803 1 1 37495 1 1 1 1 23427 1 1 1 1 1 1 1 1 1 1 1 1 2041 1 1 1 594.3329 *594.3378* 594.3378@1.3264334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11350 9736 7679 11459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.3378 *594.481* 594.481@1.1240046 1 1 1 1 1 71331 1 1 1 1 7213 1 9716 1 1 1 1 1 1 1 1 13697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18110 1 1 1 1 6421 7672 6124 9320 1 1 1 1 1 11438 1 1 1 1 1 34450 21672 1 1 1 13640 1 1 1 19546 1 1 1 4813 1 1 1 1 1 7575 1 10256 1 1 1 1 10656 1 1 1 1 1 9335 1 594.481 *594.4839* C31 H68 Cl2 N6 376612 371292 149686 132340 621685 880589 1 1 1 645350 416394 850561 220955 404135 555574 1 386808 385341 706057 727657 395507 209323 665209 678985 541702 288211 747134 754367 1832779 981467 470842 481733 1086708 1060140 1 133003 739915 752160 437852 439399 960466 940779 174595 180423 520305 535994 311293 688894 1150843 1124424 803923 536938 668910 663187 574160 336437 1346528 1377756 1309250 1323967 964400 949307 58038 1 948970 935848 414782 418113 1282011 1283650 182905 272955 450636 250686 440251 437022 649492 1397744 849736 880633 267653 448617 562702 581875 587641 599475 342625 655825 352382 367301 594.4839 *594.765* 594.765@1.0629803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 4176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.765 *594.7826* 594.7826@1.0647321 1 1 1 1 7110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 5255 4126 1 1 1 1 7671 1426 1 1 5925 1 3150 1 3747 1 1 1 1 1 1 1 5225 9181 3588 1 1 1 1 1 1 1 1 1 1 7854 1 1 1942 6181 1 1 1 11299 1 1 1 1 1 1 4609 5467 1 1 1 1 1 1 3974 1 1735 1 1 1 594.7826 *594.7868* 594.7868@1.0606234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.7868 *594.862* 594.862@1.0601487 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 594.862 *594.8972* 594.8972@1.0648732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4791 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 594.8972 *594.9024* 594.9024@1.0631968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.9024 *594.9154* 594.9154@1.0622135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.9154 *594.9269* 594.9269@1.066299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1 4165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8271 1 1 1 1 1 1 1 1 1 1 1 1 1 594.9269 *594.984* 594.984@1.0656401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3125 1 1 1 1 1 10287 1 2365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.984 *594.992* 594.992@1.0594962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.992 *595.0107* 595.0107@1.0624945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.0107 *595.0232* 595.0232@1.0654409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 2861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.0232 *595.0462* 595.0462@1.0626715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.0462 *595.0591* 595.0591@1.0584126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 4715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.0591 *595.0763* 595.0763@1.0614492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.0763 *595.0931* 595.0931@1.076811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.0931 *595.118* 595.118@1.0947012 6899 6024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.118 *595.1323* 595.1323@1.0976394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9530 3653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10217 1 1 1 1 595.1323 *595.1469* 595.1469@1.0615723 1 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.1469 *595.3276* 595.3276@1.0650654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.3276 *595.334* 595.334@1.0648397 1 1 1 1 1 1 1 1 1 1 1 1 1 2199 1 1 1 1 1 1 3810 1 1 1 1 1 1 4817 1 4505 1 1 1 6285 1 1 1 1 1 1 1 3928 1 1 8458 1 1 1 3658 3557 1 2625 1 3682 5140 1 1 1 1 1604 1 1 1 1 1 1 4816 1 1 9263 4112 3963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 3559 1 1 595.334 *595.3807* 595.3807@6.383565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3367 3583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2768 1 1 1912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.3807 *595.486* 595.486@1.0833106 1 1 1 1 1 1 41119 40500 83780 1 1 1 1 1 1 75028 1 1 1 1 1 1 1 1 1 1 1 1 1 5024 1 1 1 1 22087 1 1 1 1 1 1 1 1 1 1 1 2293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21701 21999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4908 1 1 1 1 1 595.486 *595.7847* 595.7847@1.0602272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3241 3277 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 1 1 1 5691 5738 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.7847 *595.8* 595.8@1.0783881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.8 *595.8537* 595.8537@1.0627813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.8537 *595.8645* 595.8645@1.0814131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.8645 *595.8775* 595.8775@1.0594461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.8775 *595.8918* 595.8918@1.0536522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.8918 *595.9116* 595.9116@1.0567361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.9116 *596.0158* 596.0158@1.0623506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.0158 *596.0302* C20 H20 O19 S 6721 6041 6544 6731 12336 12533 13000 13287 15017 13701 8321 8100 13744 13993 8171 8361 4390 4599 10489 10629 11695 11656 9891 9987 9939 10229 8800 8613 9020 8440 13743 14889 7532 7377 15160 15634 9593 10368 7720 7940 12946 13611 15448 14539 9676 8970 16939 16412 10567 11214 8803 8886 16489 15936 11534 11863 10257 10511 8668 8423 12043 12086 12625 14456 11398 11993 14030 13240 15002 15070 15443 15595 13645 13378 15251 15131 11303 11653 9336 8757 8252 8337 11326 11184 10346 10136 11584 11428 15163 14500 596.0302 *596.0654* 596.0654@1.9336267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21398 30101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.0654 *596.1219* 596.1219@1.0632155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.1219 *596.1538* 596.1538@1.058619 1 1 1 1 6342 5018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.1538 *596.2318* 596.2318@1.1929517 1 1 1 1 1 1 1 1 6712 1 10650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.2318 *596.2397* 596.2397@1.1883006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10400 10261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.2397 *596.3147* 596.3147@1.0517889 51587 5845 1 1 115034 71971 1 107924 1 1 1 1 85887 1 1 1 1 1 3715 54387 1 4266 100518 69062 109975 1 1 116585 1 1 1 1 50551 1 2757 2806 1 1 97746 97431 31028 87176 1 1 1 1 1 1 1 1 126297 76148 95454 1 51897 1 1 1 1805 5104 91510 91565 1 51407 1 1 166908 1 1 1 71314 109338 54959 1 105465 110199 122820 1 1 5062 95320 92328 1 1 101762 97726 2561 2353 1 1 596.3147 *596.3292* 596.3292@1.0493209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78815 120594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.3292 *596.3537* 596.3537@1.3166139 1 1 1 1 6967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2916 1 1 1 8565 8795 16734 18791 1 1 1 1 1 1 1 1 1 1 7882 8808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.3537 *596.4963* 596.4963@1.1111368 1 1 1 1 6872 1 13687 1 8696 1 1 1 1 1 1 1 1 1 1 1 1 1 4995 1 1 5355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590114 24780 7964 1 1 1 1 5264 1 1 1 8149 1 1 1 1 1 1 5822 3537 1 1 1 9060 1 1 4208 1 1 1 1 1 21338 1 1 1 5375 1 1 1 1 1 1 1 1 1 596.4963 *596.498* 596.498@1.0872035 1 1 1 1 235572 1 102882 114818 315576 1 300809 1 164775 1 7098 264826 1 1 6459 1 1 184383 1 8054 1 249998 8887 1 16110 608479 6804 7512 15058 19583 51818 1 655268 658753 4680 8385 9891 8243 1 1 68632 436977 373838 1 8087 24498 1 191576 1 1 13205 167633 1790110 1828587 13522 1 7206 1 57610 60978 1 1 219167 210067 14772 1 62591 5030 1 128721 5848 1 737193 1 7407 1 181622 5581 1 6448 5186 5097 318713 1 4550 1 596.498 *596.7732* 596.7732@1.0676863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.7732 *596.7856* 596.7856@1.05941 1 1 1 1 1 1 1 1 1 1 2834 4482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4965 1 1 1 4162 1 1 1 2375 1 1 1866 1 1 3020 1 1 1 1 1 1 1 8218 1 1 1 1 1 1 2149 1 5509 1 1 1 1 1 1 1 7597 1 1 2969 1 1 1 1 1 1 2344 1 1 1 596.7856 *596.7969* 596.7969@1.0581847 1 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7194 1 1 1 1 1 1 1 1 1 1 1 1 1 7660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.7969 *596.8109* 596.8109@1.0546546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.8109 *596.8555* 596.8555@1.0578724 1 1 1 1 2064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.8555 *596.8845* 596.8845@1.0606692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.8845 *596.9146* 596.9146@1.0608207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 596.9146 *596.9365* 596.9365@1.0621865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.9365 *596.9947* 596.9947@1.0586047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2617 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 596.9947 *597.0007* 597.0007@1.0607413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.0007 *597.0032* 597.0032@1.0609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.0032 *597.0652* 597.0652@1.0596703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.0652 *597.0727* 597.0727@1.0586939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.0727 *597.1197* 597.1197@1.0640343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6252 1 2754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.1197 *597.1434* 597.1434@1.0867661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 1 4058 6105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4115 3892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4307 1 1 1 1 1 597.1434 *597.154* 597.154@1.0582163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.154 *597.1669* 597.1669@0.8883107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5460 5156 1 1 3849 3155 1 1 1 1 1 1 1 1 1 1 1 1 4061 3904 1 1 1 1 9620 1 1 1 1 1 1 1 1 1 1 1 1 1 4504 4530 1 1 1 1 1 1 1 1 1 1 1 1 4955 4824 1 1 1 1 597.1669 *597.2305* 597.2305@1.0727568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.2305 *597.3226* 597.3226@1.0507015 1 4391 1 1 1 1 1 1 1 1 4251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4893 5212 1 4821 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.3226 *597.3264* 597.3264@1.0465677 1 1 1 1 1 1 1 1 1 1 1 4003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4903 1 3287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6254 1 1 1 1 3181 1 1 1 1 1 1 1 597.3264 *597.3324* 597.3324@1.0397197 1 1 1 1 1 1 1 1 2915 2746 1 1 1 1 3981 3948 1 1 1 1 3852 3878 1 1 1 1 5914 1 1 1 1 1 1 1730 5084 5241 4129 1 1 1 1 1 1 1 1 1 1 4494 4299 4454 1 1 1 1 1 1 1693 7227 3812 4367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 3316 1 1 5694 6965 1 1 597.3324 *597.4824* 597.4824@1.129595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.4824 *597.5015* 597.5015@1.0590129 1 1 1 14421 107987 1 1 1 1 1 135600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213393 1 1 1 1 1 87078 1 1 1 79727 1 1 1 1 1 1 1 1 1 1 96971 100690 1 1 33872 1 1 62304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.5015 *597.7831* 597.7831@1.0623506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.7831 *597.7921* 597.7921@1.0582061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.7921 *597.8052* 597.8052@1.0603359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.8052 *597.8385* 597.8385@1.0574975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.8385 *597.8632* 597.8632@1.0570952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.8632 *597.8775* 597.8775@1.0680627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.8775 *597.8868* 597.8868@1.0604477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.8868 *597.9278* 597.9278@1.0603441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.9278 *597.9612* 597.9612@1.0616577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 597.9612 *598.0642* 598.0642@1.991039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.0642 *598.0789* 598.0789@1.0630523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.0789 *598.0976* 598.0976@1.0557349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.0976 *598.1472* 598.1472@1.0624509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.1472 *598.1916* 598.1916@3.813091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11612 11285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.1916 *598.2294* 598.2294@1.1654636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.2294 *598.2394* 598.2394@1.1948031 1 1 6664 6545 3621 1 1 1 1 1 1 7971 1 1 1 1 1 1 1 1 3492 4503 5699 6180 1 1 1 1 8597 7170 4235 4369 1 1 1 1 5987 5799 5341 5384 1 1 1 2625 5629 5949 1 1 3979 5088 3651 1 1 1 1 1 5388 5702 7274 7572 1 1 3565 4608 1 1 1 1 1 1 5180 5121 6143 5600 1 3716 1 1 1 1 7589 5910 1 1 1 1 1 1 1 1 598.2394 *598.2398* C37 H42 O S3 1 1 12986 15759 1 1 1 1 1 1 9841 10476 9427 1 1 1 8212 8967 1 10379 1 1 16769 18997 1 1 12902 10914 18543 16887 1 1 16284 15104 1 1 1 1 1 1 1 1 8486 8377 13700 14207 1 1 12392 10746 1 1 1 1 1 1 12211 7869 15889 6455 1 1 1 1 1 1 1 1 1 1 13966 11540 7651 9346 7029 5519 1 9678 15264 12878 13775 4630 12564 11790 1 1 1 1 11139 10500 598.2398 *598.2401* 598.2401@2.0532732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4700 1 9712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3294 4453 1 11936 1 1 1 1 1 1 1 1 598.2401 *598.25* 598.25@1.1917228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.25 *598.3068* 598.3068@1.1997973 1 1 1 1 1 1 1 1 1 1 1 1 1 5427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.3068 *598.3187* Arbekacin 1 48142 109442 113227 1 1 97302 1 49222 71515 116657 114486 1 96876 69321 68876 56009 58574 90408 1 72147 89113 1 1 1 97419 103365 1 1 1 97516 54591 1 95638 34978 35694 127400 135222 1 1 1 1 1 1 1 96928 1 125346 75561 75187 1 1 1 86113 1 84452 79813 80039 56731 24160 1 1 68479 1 181914 180406 1 146265 113691 1 1 1 1 74895 1 1 1 109642 80490 108445 1 1 90663 91073 1 1 56599 60414 35886 62755 598.3187 *598.4251* 598.4251@1.1119194 1 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.4251 *598.4362* 598.4362@1.113978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 2539 1 1 1 1 1 1 598.4362 *598.4486* 598.4486@1.1073258 1 1 1 3733 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1772 1 1 1 1 1 1 1 1 2116 1 1 1 4109 4136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.4486 *598.4617* 598.4617@1.1148483 1 1 1 1 1 1 1 1 1 1 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3262 3547 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 2126 1 1 1 1 1 1 1 1 1643 1 1 1 598.4617 *598.4993* 598.4993@1.0771098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5415 1 12040 12536 1 1 1 1 1 1 1 2006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.4993 *598.785* 598.785@1.0617425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.785 *598.9037* 598.9037@1.0572041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.9037 *599.1843* 599.1843@0.8903916 7806 1 1 1 1 1 4449 3859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3702 1 1 4053 4529 1 1 1 1 1 1 1 1 1 1 1 1 3722 3801 1 1 1 1 1 1 4387 4442 1 1 6277 6282 1 1 1 1 1 1 1 1 1 1 1 1 3927 4163 1 1 1 1 1 1 6413 6368 1 1 1 1 599.1843 *599.3118* 599.3118@1.201863 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.3118 *599.4552* 599.4552@1.0972133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.4552 *599.928* 599.928@0.70066446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3553 3523 1 1 1 1 1 1 1 1 1 1 1 1 599.928 *600.0967* 600.0967@2.1670337 1 1 1 1 1 1 6050 5617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.0967 *600.286* 600.286@1.1739244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2443 2768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.286 *600.3286* 600.3286@1.0789462 1 1 3555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 1 1 1 1 1 1 29674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.3286 *600.38* 600.38@1.1032916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.38 *601.1983* 601.1983@0.8996335 1 3982 1 1 1 1 22641 22289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5612 5995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.1983 *601.2818* 601.2818@5.4828234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3921 3894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.2818 *601.2875* 601.2875@2.0410101 1 1 1 1 1 1 1 1 1 1 8229 6191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8476 8436 1 1 1 1 1 1 1 1 1 1 9294 9243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5575 8669 601.2875 *601.2896* 601.2896@1.9812125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3739 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6467 601.2896 *601.3306* 601.3306@1.0522634 8231 1 1 1 1 11356 1 1 1 1 1 1 1 1 1 1 1 1 1 8466 1 1 1 9429 1 1 1 1 11690 1 1 1 8811 1 1 1 1 1 1 1 1 1 1 6343 1 1 10439 1 1 1 1 11762 1 1 7615 1 1 1 1 1 1 1 1 7771 1 1 1 1 1 10386 10608 1 8585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.3306 *601.3855* 601.3855@1.0895213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2403 3053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.3855 *601.3981* 601.3981@1.1575191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5485 5468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6740 6965 1 1 1 1 1 1 3508 5331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.3981 *601.7838* 601.7838@5.5439672 1 2283 1 1 1892 1 1 1 1 1 1 1 1 1 1985 1 1 2242 1 2325 1 1 1694 1 2436 2519 1 2186 1946 1 1 1 1 1731 1 2087 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 2300 1 1 2196 1 1 1 1 1 2097 1 1 2106 2196 1 1 2180 2233 2459 1 1 1 1 1874 1 2138 1877 1 2219 1 1 2464 1999 1 1 1 1 601.7838 *602.3434* 602.3434@1.0502208 48316 17932 1 1 1 67318 1 1 32428 1 1 1 3090 1 1 1 1 1 1 43011 1 1 1 52623 1 1 1 1 73366 1 1 25996 56361 1 1 1 1 1 1 1 20171 1 1 35571 1 1 63414 1 1 1 1 67508 1 1 41912 1 1 1 15371 1 1 1 1 40043 1 1 1 1 1 59024 54377 1 39825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31767 1 602.3434 *602.3554* 602.3554@1.0546682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.3554 *602.3646* 602.3646@1.076073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59305 39384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.3646 *602.3784* 602.3784@1.0996168 1 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 7924 7786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8935 8387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5340 4917 1 1 1 1 1 1 2231 1 1 1 14872 15720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.3784 *602.3928* 602.3928@1.0860152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6349 11612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.3928 *602.4131* 602.4131@1.0846381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 1 1 1 1 1 3881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.4131 *603.1555* 603.1555@0.8573481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.1555 *603.1849* 603.1849@2.1642108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3967 1 1 1 603.1849 *603.281* 603.281@1.110336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.281 *603.285* 603.285@1.1105545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4767 4616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.285 *603.3472* C24 H41 N15 O4 1 6679 1 1 9562 1 10262 10361 1 7826 1 1 7263 1 7536 7435 1 1 1 1 7482 1 7771 1 8960 8968 9318 9149 1 10189 1 9033 1 1 3230 2904 1 1 6814 7704 6860 6639 5557 1 8928 8466 1 1 7705 7484 10667 1 7567 7273 1 1 8582 1 1 1 5965 6275 6472 1 1 1 13207 13356 1 1 1 9207 1 6977 9195 9577 11228 12186 7829 1 7804 7745 9504 8947 7606 7812 6833 6919 1 1 603.3472 *603.4012* 603.4012@1.0911101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.4012 *603.9176* C18 H15 Cl3 N2 O11 S2 2225 1 2382 2244 2520 1 2758 2519 1 2601 1 2158 2345 1967 2696 2559 2292 2429 2924 3194 2262 2332 2543 2307 3002 2896 2395 1 2257 1 1 2093 1 2520 2261 1 2527 2245 2298 1 2730 2514 2337 1 2326 2371 1 2512 2577 2305 2536 2619 2778 2601 2528 2341 2311 2448 2114 1 1 1 2356 2176 2343 2222 2951 2828 2730 2776 3082 3110 2167 1 2081 1 1 2493 2391 2566 2559 2528 2519 2514 2740 2476 2819 2857 1892 2282 603.9176 *604.0393* 604.0393@1.1950676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 604.0393 *604.1631* 604.1631@2.046865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3261 3594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.1631 *604.2279* 604.2279@1.163542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6232 6790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.2279 *604.3007* 604.3007@1.2013023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8784 10361 1 1 604.3007 *604.3568* C32 H57 Cl O6 S 1 19360 1 1 28119 1 35438 34160 21174 22390 1 1 18795 1 24028 19348 1 1 1 1 19226 1 20837 1 22995 22298 18221 20325 1 27361 1 29444 1 1 8490 9168 1 1 18521 18176 17210 20966 14068 1 26154 23792 1 1 18823 18571 29857 1 18740 17033 1 1 21290 21501 26540 1 10261 10776 14815 1 1 1 32010 31400 1 1 1 24836 1 16659 24066 23032 30963 30353 22146 1 22043 20258 24328 23176 17303 17886 13724 17882 1 1 604.3568 *604.3652* 604.3652@0.7615814 9466 9883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4821 4851 1 1 1 1 1 1 29587 29716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.3652 *604.3955* 604.3955@1.0857514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 2669 1 1 1 1 4983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5569 1 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1900 3375 604.3955 *604.4036* C30 H52 N8 O5 2836 1992 1 1 1 1 1 1 6226 5515 1 1 1 1 1 3847 7297 8219 2721 2765 1 1724 7139 7111 4107 1 3434 4946 1 1 1 1 1 1 1 1 6086 4310 3806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9641 7499 6286 1 1 4559 1759 1 1 1 1 15714 17335 1 1 1 1 1 1 1 1 3687 2017 1 1 1 5263 4185 3552 1 1 1 1 5906 2397 1 1 604.4036 *604.4263* 604.4263@1.0848485 1 1 1 1 5324 5790 1 1 1 1 6220 3344 1 1 3014 1 1 1 1 1 1 1 1 1 1 1 1 1 15434 15386 11464 1 12502 12352 1 1 1 1 1 4624 9129 7830 1 1 6511 1 1 1 1578 6547 1 1 8220 1 1 1 1 1 1 1 12358 1 1 1 1 1 10091 8290 6571 6344 1 3241 2583 1 1 2317 6469 7197 6001 1 1 1 4432 7457 6380 7612 1 1 1 1 604.4263 *604.4346* 604.4346@1.0805002 1 1 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10317 1 1 1 1 10386 7656 1 1 1 1 1 129880 1 1 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.4346 *604.955* 604.955@0.70953065 1 1 1 1 1 1 3224 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.955 *605.3587* 605.3587@1.0473133 1 1 4092 4242 1 1 1 1 1 1 5512 5557 1 4342 1 1 2934 2837 3988 1 1 3880 1 1 1 1 1 1 1 1 4883 1 1 1 1 1 6880 7840 1 1 1 1 1 1 1 1 1 5514 1 1 1 1 1 1 1 5759 1 1 1 5708 1 1 1 1 7672 12627 1 1 1 1 1 1 4151 1 1 1 1 1 1 8884 1 1 1 1 1 1 1 1 1 2588 605.3587 *605.3967* 605.3967@1.0610102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 1 1 605.3967 *605.4146* 605.4146@1.0756595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.4146 *605.4268* 605.4268@1.0686297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.4268 *605.4421* 605.4421@1.0754081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.4421 *605.8765* C27 H7 Cl O7 S4 1462 1547 1 1351 1480 1397 1647 1568 1 1 1 1 1 1 1725 1723 1534 1677 1945 1910 1697 1 1550 1575 1 2066 1718 1474 1438 1720 1610 1 1508 1789 1520 1632 1 1685 1803 1605 1604 1712 1532 1470 1526 1745 1605 1700 1682 1724 1887 2002 2087 1860 1 1563 1797 1627 1578 1 1680 1 1892 2048 1858 1779 2070 1778 1850 1832 2385 2459 1665 1511 1 1541 1721 1790 1693 1895 1890 1 2043 1944 1760 1827 2026 2206 1524 1762 605.8765 *606.2447* 606.2447@3.3435209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6614 7692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.2447 *606.2468* C32 H26 N14 4276 3836 3976 3872 1 1 1 1 1 1 1 1 5051 6252 1580 1 3070 1 7000 6490 5527 6635 3745 3872 1 1 3870 3962 1 1 1 3954 5466 3314 5590 5632 1 1 6897 7175 1 1624 6371 7356 1 1 1 1 2829 2101 2464 1 2603 2238 1 3626 1 1 5152 5406 1 1 1 1 1 1 1 1 1 1 2498 4944 4412 2741 2578 1 1 1 4532 4224 6141 8590 2262 1 1 1 8793 7215 7474 7002 606.2468 *606.3512* 606.3512@1.0543333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5050 606.3512 *606.3643* 606.3643@1.0426898 1 7292 5491 3989 1 1 1 1 1 1 6587 7007 1 6537 1 1 2286 2910 1 1 1 4653 1 1 1 1 1 1 1 1 1 1 1 8174 1 1 7640 1 1 1 1 1 1 1 1 1 1 3684 1 1 1 1 1 1 1 1 1 4989 1 5960 1 1 1 1 6742 1 1 1 4520 1 1 1 5922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.3643 *606.3687* 606.3687@1.0358685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97406 1 1 1 1 1 1 1 1 1 1 1 1 1 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.3687 *606.3807* 606.3807@1.0365366 1 1 1 1 1 1 1 1 1 1 1 1 1 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8083 6445 1 1 1 1 1 1 106192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5864 1 1 1 606.3807 *606.4027* 606.4027@1.0782201 1 1 1 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4027 *606.4088* 606.4088@2.078305 1 1 1 1 1 1 1 1 1 1 21088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15059 1 1 1 3018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4088 *606.4096* 606.4096@1.7946271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11211 9006 1 1 1 1 60108 29172 1 1 1 1 1 1 1 1 1 1 12650 9851 1 1 14744 12947 1 1 21601 28948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11688 12791 1 1 18721 18692 8087 7447 1 1 606.4096 *606.41* 606.41@1.9925781 1 1 1 1 5381 1 1 1 1 1 4078 5279 9329 1 3095 1 1 1 1996 2339 16674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4878 8306 1 1 1 1 26854 1 6981 1 1 1 5538 4475 1 1 1 2722 9926 12106 2551 3042 14441 11218 1 1 18854 17049 14412 1 3971 4254 1 1 1 1 5048 1 1 1 1 1 1 8988 7436 8843 24117 28999 1 1 1 1 606.41 *606.4104* C31 H62 N2 O5 S2 1 1 17483 17993 8610 12445 11515 12160 14837 17806 22639 42634 34737 53376 17525 20200 8468 1 47129 51422 31140 53345 36138 37814 11000 11395 18020 17261 1 1 21332 21821 1 1 1 1 1 1 109358 107614 24489 22417 1 1 370468 409004 19505 23022 10139 7384 33243 32992 1 5149 30582 11794 70475 71563 26644 23607 115658 117076 17759 18782 191765 190907 10912 34717 47770 47797 12010 11697 1 1 15918 20964 4521 1 19412 21425 95703 91516 50599 53602 151033 155610 67662 65385 1 1 606.4104 *606.4208* 606.4208@1.055484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4208 *606.4367* 606.4367@1.0778177 9192 8907 1 1 1 1 1 8500 1 1 1 1 11070 1 1 13540 1 11589 1 15618 11967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8145 7839 1 1 1 1 1 1 1 1 11563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4367 *606.4389* 606.4389@1.1150101 1 1 1 1 1 1 1 1 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4389 *606.444* C28 H60 Cl2 N10 1 1 6903 1933 19925 19387 8481 1 14969 14433 51925 14654 1 42533 13194 1 10613 1 1 1 1 11193 26565 19341 15156 14484 15102 14661 151147 90698 56121 87959 29155 27668 5902 1 1 25592 17923 1 89209 89518 29263 1 27798 25478 13089 1 18899 18056 1 87638 18866 17193 18330 74799 314854 1 90608 93758 159388 1 1 1 26606 25869 27800 98928 109675 22762 1 9191 1 9753 24908 11849 1 131640 61983 15959 1 15917 72967 17459 23968 18151 12769 12390 12174 49094 606.444 *606.4529* 606.4529@1.0652368 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4529 *607.0334* 607.0334@1.0758088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.0334 *607.0426* 607.0426@1.0792888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6416 1 1 1 1 1 1 11695 9381 10191 8878 1 1 1 1 1 5623 12957 2779 1 10134 16779 17290 1 1 13285 13675 9538 2088 13919 14529 9967 11203 9845 10280 1544 1 2640 11415 1 1 607.0426 *607.1431* 607.1431@1.0959321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 13791 1 1 1 1 1 1 1 1 1 1 5774 5524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17272 13088 1 1 1 1 607.1431 *607.2784* 607.2784@2.0488546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13565 13525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.2784 *607.362* 607.362@1.0410349 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.362 *607.3862* 607.3862@1.0391488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1 1 1 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.3862 *607.4147* 607.4147@2.0288885 1 1 1 1 1 1 1 1 1 1 1 1 5207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10280 1 1 1 1 1 8631 1 1 2922 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 1 1 1 607.4147 *607.4513* 607.4513@1.0771451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8432 1 1 1 1 1 1 1 1 3703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.4513 *608.3198* 608.3198@1.089317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 1 1 1 1 1 1 4880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.3198 *608.3239* 608.3239@1.0550308 1 1 1 1 2065 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 2307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13594 13213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5266 6302 1 1 3812 2985 1 1 1 1 1 1 2402 7147 1 1 1 1 1 1 1 1 1 1 608.3239 *608.3326* 608.3326@1.0540198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5340 1 1 1 1 1 1 1 1 1 1 1 608.3326 *608.3423* 608.3423@1.0416983 1 11012 1 1 1 2098 1 1 1 1 2415 1 1 1 1 11620 8101 1 1 1 21725 1 1 1 1 1 12051 19978 1 1 1 1 11699 1 1 1 1 1 1 1 1 1 1 1 27056 9669 4559 4441 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 21818 1 1 1 1 1 1 1 8529 15454 19635 1 1 1 1 13681 7907 1 1 12996 18537 1254 1 1 1 608.3423 *608.3496* 608.3496@1.0404359 16874 1 1 1 1 1 32631 20076 23789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30565 1 1 19847 15013 1 1 1 1 1 1 1 3871 1 1 1 1883 1 1 1 1 1 1 1 1 22869 1 1 1 1 12027 1 1 22111 1 1 1 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 16353 9092 1 1 1 1 1 1 1 1 1 1 1 1 608.3496 *608.4155* 608.4155@2.038937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.4155 *608.4548* 608.4548@1.1041238 1 1 3090 1 1 13424 1 11488 1 1 1 11041 1 3987 1 4488 1 1 1 1 4141 3713 1 1 4021 1 1 1 1 1 1 5133 1 1 1 1 5160 7668 4326 6062 1 1 1 1 19736 1 1 1 1 1 1 1 1 1 1 1 11659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19158 4688 1 1 1 1 1 1 1 1 1 608.4548 *608.462* 608.462@1.0767057 43816 16571 41038 37680 100963 20724 15209 3264 27352 81999 1 40736 18706 1 24310 18927 62471 66009 30446 78455 43646 29964 24139 80920 64946 24228 68170 67040 1 1 1 1 141124 134155 8649 9117 31352 70118 61197 60743 1 1 1 12702 75022 31906 19873 21420 101626 99875 1 1 84875 89320 30010 1 1 1 1 1 1 127034 11453 32866 113577 111606 132625 11674 1 117119 19143 18667 48087 48432 1 27089 35534 1 4267 7293 57732 61199 1 74352 68536 29128 19719 20433 59818 1 608.462 *608.4656* 608.4656@1.0575975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.4656 *609.0454* 609.0454@1.0788052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4843 1 1 1 1672 1636 4154 1 1 1 1 1 1 1 4507 1 1 1 1902 1 3504 1884 5668 5341 1 3813 1 1 1 1 1 1 5015 5090 6886 1 1 9779 7071 1 1 1 5299 5275 1 1 1 8034 1 1 1 1 1 1 2418 3184 8436 1 6427 5945 609.0454 *609.15* 609.15@1.1100078 13225 1 1 1 1 1 1 1 1 1 7858 7744 1 1 1 1 1 1 1 1 14254 14807 11273 1 8642 7944 1 1 1 1 1 1 1 14998 8924 8888 7165 4543 1 1 1 1 1 1 1 1 1 1 1 1 13992 12812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.15 *609.1532* 609.1532@1.1087536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.1532 *609.2589* 609.2589@1.0730884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 3283 1 1 609.2589 *609.2696* 609.2696@1.1928163 1 1 1 1 1 1 1 1 1 1 1 1 2190 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.2696 *609.324* C26 H43 N9 O8 11024 10825 10133 10646 10171 11227 11114 11013 11527 11538 1 10508 12169 12307 1 13505 8900 9064 17307 17102 13403 13963 12583 14157 1 11155 13959 13588 14409 15518 13222 1 14073 14290 8590 8624 11613 11812 15227 15012 13705 13712 13017 1 11360 11317 12672 12640 11541 11227 13776 1 8205 8507 10280 11333 1 12944 15093 16262 1 8729 5969 5834 12450 12337 10113 10963 1 1 11073 10918 1 9798 7574 7698 9615 9848 12472 12446 11889 11951 10719 10551 13650 14269 17740 17236 8196 8360 609.324 *609.4618* 609.4618@1.0889404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.4618 *609.4654* 609.4654@1.0724099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4602 1 1 1 1 1 1 1 1 1 1 1 23520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.4654 *610.2102* 610.2102@2.0383735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3402 3397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.2102 *610.3552* 610.3552@1.0379636 1 1 10236 15631 19410 15241 1 1 10499 4605 12303 15613 12128 15027 12166 1 1 1 10479 13295 9390 11063 12585 1 11814 12913 1 1 1 13908 16224 12014 10152 9009 6258 5803 38383 39738 14132 80121 9454 10123 6522 12124 1 1 30412 9677 3925 4565 1 31167 11616 18227 18601 1 14000 9673 1 31656 13043 11950 8003 3168 22107 1 17054 6669 15925 21760 19300 17007 10982 16396 1 16392 1 1 11176 5842 1 1 9551 9516 1 33561 13210 25795 7003 5296 610.3552 *610.3676* 610.3676@5.0644803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.3676 *610.3922* 610.3922@1.2089384 3058 3039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.3922 *610.4703* 610.4703@1.1198145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.4703 *610.4733* 610.4733@1.0958478 1 1 1 1 1 1 1 1 1 1 12003 1 1 1 7016 5459 1 1 1 1 1 1 1 1 1 5704 1 1 1 12019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5572 1 1 1 1 1 1 23177 1 1 1 610.4733 *610.4763* C32 H62 N6 O5 1 33512 1 1 1 73398 18616 25269 58494 1 15428 6680 23175 1 52097 27945 1 1 42695 6059 1 1 50272 1 1 46889 1 1 1 47595 42121 1 1 1 19504 17502 83744 1 1 1 1 1 1 13834 1 76750 30244 59244 1 1 1 1 1 1 58971 1 1 241990 1 1 1 1 21907 1 1 1 1 1 1 1 22936 23261 1 1 48768 44034 90455 1 1 57573 1 1 1 1 1 54164 3306 27151 1 1 610.4763 *611.045* 611.045@1.0767205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 2061 1 1 1 1 611.045 *611.145* 611.145@1.1080424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8064 7620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6737 1 1 1 1 611.145 *611.1528* 611.1528@2.0594664 1 1 1 1 1 1 1 1 1 1 1 1 2779 1 4705 4734 1 1 1 1 1 1 1 1 4050 4205 1 1 1 1 1 1 1 1 1 1 1 2802 1 1 4046 3611 1 1 1 1 1 1 2957 2907 1 1 2820 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2903 2602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2980 1 1 1 611.1528 *611.2856* 611.2856@1.197825 1 1 1 1 1 1 1 1 1 1 1 1 4280 6776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.2856 *611.4798* 611.4798@1.0768392 1 1 1 1 1 1 1 1 1 1 10104 10819 1 6605 1 1 1 1 1 1 1 5955 1 1 1 1 1 1 22685 22254 1 12585 1 1 1 1 1 15943 1 1 12535 12282 3891 1 1 1 1 1 1 1 10383 10399 1 1 1 10036 1 1 13917 13926 1 1 1 1 1 1 1 14510 17377 1 1 1 1 1 1 1 1 1 9966 1 1 1 9279 1 1 1 1 1 1 7827 611.4798 *612.1508* Glutathione, oxidized 4435 1 1 1 1 2772 1 1 4783 4301 2967 1 4637 4381 9674 9204 3998 4170 3398 1 2757 3348 1 1 8007 7606 2945 1 4013 4400 1 1 1 1 1 1 5219 5020 3966 1 7003 7157 1 1 1 1 3531 3024 5373 5048 3502 1 5095 5672 4424 4493 4232 4591 3414 3446 3799 4265 3800 4039 1 1 1 1 4306 5087 3467 3948 1 1 4527 4915 3603 3919 1 1 4288 4201 1 1 1 1 5101 5209 1 1 C00127 612.1508 *612.1683* 612.1683@2.0569072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3823 3162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612.1683 *612.1882* 612.1882@1.1455257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3558 4435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612.1882 *612.2927* 612.2927@1.1998585 1 1 1 1 1 1 1 1 1 1 1 1 2946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612.2927 *612.3199* 612.3199@1.0807955 1 1 6882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612.3199 *612.3603* 612.3603@1.0366169 1 5772 1 1 1 1 1 1 1 7671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18266 1 23202 7289 4933 1 1 1 1 1 1 1 1 1 1 1 1 1 5414 1 1 1 9531 1 1 1 1 1 1 1 1 1 7363 1 6146 1 7564 1 1 23669 1 1 6677 1 1 612.3603 *612.4855* 612.4855@1.1039069 1 1 1 1 1 1 1 1 1 1 7440 5039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6327 7760 1 1 1 1 1 1 1 6398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 612.4855 *612.491* C35 H69 Cl N4 S 1 1 1 1 1 1 10065 1 4564 1 18368 18980 21392 22446 1 17965 1 1 21856 3948 1 12067 1 1 1 2459 1 1 34503 48298 21671 23974 1 1 1 1 1 25557 1 1 30494 32018 6633 6994 43238 1 18335 1 1 1 4798 24527 1 1 1 23714 1 1 29226 43995 1 1 1 1 1 1 1 36166 41066 6757 14524 14569 1 1 1 1 1 1 18842 1 1 1 16763 1 1 1 1 1 1 19058 612.491 *612.4961* 612.4961@1.0801044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9626 1 1 612.4961 *612.5089* 612.5089@1.0715914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18192 8706 1 1 612.5089 *613.1757* 613.1757@1.1430233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8831 8911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.1757 *613.2359* 613.2359@1.0734391 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 2655 2879 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 3092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3846 3315 613.2359 *613.3045* 613.3045@1.6013591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10522 7867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.3045 *613.3347* 613.3347@6.300159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2991 3351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 1 1 1 1 1 1 613.3347 *613.3352* C28 H48 Cl N7 O6 18726 25113 21090 21280 17994 16674 22560 20197 18090 20512 22133 28113 11429 12158 14204 12394 5817 5554 48635 49175 31685 32566 30858 21948 22988 21494 18463 18930 35752 35540 32366 33086 23227 23142 11569 10722 18368 18161 23781 23458 15651 17150 21871 20711 25855 29946 39070 39255 24219 24137 34602 35135 7063 6882 21950 21827 48459 47786 24307 37054 19163 17656 13805 14838 28077 29619 20006 21691 28835 27512 47254 47005 17184 19403 19341 17654 15630 22866 38147 39611 27496 26294 22297 23501 17747 17687 44622 29032 11198 11382 613.3352 *613.3498* 613.3498@1.0339739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 3397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2843 1 1 1 1 1 5052 5712 1 1 613.3498 *613.3551* 613.3551@1.0363387 2932 2388 1 1 1 1 1 3748 2699 1 2743 1 2591 1 1 2785 1 1 2878 1 3216 2666 4113 4303 2690 1 1 3791 1 3830 1 1 1 2221 1 1 1 1 3874 1 2347 2472 1 1 1 1 1 1 1 2086 4165 1 2923 1 1 2896 1 1 4297 1 1 1 1 1 1 3852 1 1 1 1 1 1 1 1 3067 1 3646 3797 2935 2883 1 1 2574 2999 1 1 1 1 1 1 613.3551 *613.4878* 613.4878@1.0865602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.4878 *613.4926* 613.4926@1.0810956 2629 1 1 1 6448 1 1 2989 1 4249 1 1 1 1 1 1 1 1 1 5704 2845 1 4419 4200 4862 1 3877 3736 1 1 1 1 8230 7045 1 1 1 1 4364 4272 1 1 1 1 1 8219 1 1 6810 6591 1 1 5412 1 1 1 21512 1 1 1 7678 7423 1 1 1 5242 1 1 1 7905 1 1 3199 3027 1 1 1 7593 1 1 4433 4309 1 4100 4345 1 1 1 5101 1 613.4926 *614.0306* 614.0306@0.84953445 1 1 1 1 1 1 3143 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.0306 *614.0498* 614.0498@0.82657266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6432 6553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9644 10168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27463 26607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.0498 *614.1674* 614.1674@1.6295578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5858 5187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.1674 *614.1789* 614.1789@1.1430233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89708 84171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.1789 *614.1835* 614.1835@1.2451171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8938 7808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.1835 *614.2185* 614.2185@1.2035787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 4788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.2185 *614.2328* 614.2328@1.4781598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.2328 *614.2339* 614.2339@1.5693294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.2339 *614.2347* C36 H38 O7 S 8202 7956 15095 15327 8587 8633 5161 4658 7692 7070 14670 14925 11848 11688 10369 9564 5793 7218 21240 20388 9687 8409 15634 11483 9092 7874 13856 13042 27219 26693 12037 12140 23013 22822 1 1 15660 14191 8830 9050 9095 11362 6134 5504 11658 10897 5747 6356 8949 9906 7538 7855 5698 5574 5788 5967 16287 17193 28189 26397 5455 4861 5107 4668 1 1 9448 9890 11474 11507 7774 8582 13979 13693 8915 8499 11956 11470 11887 13367 21613 20740 18231 17177 4955 4177 13817 14873 7173 7063 614.2347 *614.3123* 614.3123@1.0735753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3094 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.3123 *614.3206* Dodecaprenyl phosphate-galacturonic acid 1 30234 1 4441 3373 2068 1 26908 2575 3621 1 1 8707 3691 1 1 1 1 3112 1 2963 2379 1 1 50210 62370 4884 1 1 2001 13681 15609 1 1 1 1 1 1 2548 1 2683 3790 1 59100 53795 3810 5108 19513 16347 1 1 1 3970 5868 1 1 1 1 1 1322 1 1 19849 40504 3866 3597 37610 1 17077 3727 115750 59566 3987 1 26077 26389 3680 1902 3634 2551 6337 1 1 1 1590 32624 1 1 1 39796 614.3206 *614.3338* 614.3338@1.0624545 1 1 1 1 1 1 1 1 1 1 3612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80231 1 1 1 1 1 1 1 1 1 1 1 1 1 9883 22527 1 1 1 1 1 1 1 614.3338 *614.3527* 614.3527@1.0464506 20090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51911 9435 1 1 1 1 28130 1 1 1 1 1 3338 21927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4772 1 1 1 1 1 4341 1 1 1 1 1 1 1 1 6547 1 1 1 1 1 1 1 10299 1 1 1 1 1 1 614.3527 *614.3604* 614.3604@1.0367328 1 1 3085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7619 1 1 1 1 1 1 1 1 9387 1 1 1 1 1 1 1 1 1 6646 5697 1 3858 1 1 1 1 1 1 1 1 1 6268 1 1 6078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4359 1 1 1 1 1 8643 1 7687 1 1 1 1 1 1 1 1 1796 2604 614.3604 *614.3638* C29 H55 Cl N8 S2 1 8100 1 1 1 7029 1 9787 6323 5183 6459 6503 5561 4675 6079 4429 6234 5632 7600 4766 1 7119 1 1 1 3098 1 1 1 1 1 6370 5421 5832 1 1 1 1 6532 1 1 5232 1 1 1 1 1 1 5905 6162 10521 1 1 1 1 1 8849 7306 12954 1 1 1 1 1 6714 8324 1 1 7155 1 1 1 2868 1 6271 1 8998 1 6198 1 4008 1 1 1 1 1 7003 9772 1 1 614.3638 *614.4561* 614.4561@1.1195395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4561 *614.4917* 614.4917@1.0953927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4917 *614.5053* 614.5053@1.0788018 1 1 1 1 1 1 1 1 1 6448 1 1 1 1 1 1 1 1 1 1 1 1 1 5931 1 1 1 7063 1 1 1 1 12742 12227 1 1 1 1 8143 1 1 1 1 1 1 9860 1 1 10237 9133 1 1 10420 10082 1 1 30556 1 1 1 13175 13704 1 1 8303 4088 1 1 1 12767 1 1 1 5080 1 1 1 10518 1 1 1 1 7430 8180 7977 1 1 1 1 1 614.5053 *614.5072* 614.5072@1.0804005 1 1 1 1 16088 16841 1 1 1 1 1 1 1 1 1 1 4560 1 1 1 1 1 7400 1 1 1 5670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8231 8405 614.5072 *614.51* 614.51@1.0765862 3845 1 1 6040 1 1 1 1 1 1 1 1 1 1 1 8235 1 1 11705 13874 1 1 1 1 9348 1 1 1 12773 1 1 1 1 1 3800 1 1 1 1 6866 1 1 1 1 1 1 10831 1 1 1 1 1 1 1 1 1 1 1 15582 1 1 1 1 1 1 1 1 1 1 1 14276 14342 1 1 1 1 1 1 10056 1 8719 8349 1 1 1 1 1 1 1 1 614.51 *614.5294* 614.5294@1.0713191 1 1 1 1 1 1 6843 6967 1 1 1 1 1 1 1 1 1 1 1 1 8271 6890 1 1 1 1 1 1 1 1 1 1 1 1 1 3736 1 1 1 1 1 1 4601 4948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12117 12573 1 1 614.5294 *615.0584* 615.0584@0.83653414 1 1 1 1 1 1 5472 5666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.0584 *615.2408* 615.2408@1.2071719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.2408 *615.3473* 615.3473@1.0380354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2832 1 1 1 615.3473 *615.3491* 615.3491@6.40755 6254 1 1 1 1 1 1 1 1 1 5462 1 4404 4711 1 1 1 1 1 1 1 1 1 8291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4432 1 1 1 1 1 1 1 1 1 1 1 1 1 11569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6315 1 1 1 1 1 1 1 1 1 1 15451 1 1 615.3491 *615.3732* 615.3732@1.035795 1 1 1 1 1 1 3134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3419 3379 1 1 1 1 1 1 1 1 2718 1 1 1 1 3053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.3732 *615.4899* 615.4899@1.0756595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.4899 *615.505* 615.505@1.07611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7652 1 1 1 1 1 1 1 1 2371 1 1 1 1 1 1 1 1 1 2269 1 1 1 1 1 1 1 1 1 1 1 1 1 615.505 *616.1066* 616.1066@3.1013675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7274 1 1 1 1 16384 16571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14255 12164 1 1 1 1 1 1 616.1066 *616.1612* 616.1612@2.8816543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5619 5760 1 1 1 1 616.1612 *616.2561* 616.2561@1.1989745 1 1 1 1 1 1 6156 5964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4860 5711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.2561 *616.282* 616.282@1.1171514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7043 6935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.282 *616.2903* 616.2903@1.1186037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.2903 *616.2988* 616.2988@1.1164669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.2988 *616.331* 616.331@1.0626215 1 1 61813 8089 13328 49380 149082 1 1 11055 1 13509 12563 14022 124364 1 6069 59273 11907 13245 102805 12575 1 1 1 1 1 1 1 14652 1 1 9644 68804 1 1 1 118449 1 1 11763 12420 1 1 1 16112 132321 1 1 1 1 1 5485 14748 12000 11762 1 10867 1 1 128856 127154 1 1 12200 12728 1 1 1 43821 1 1 12588 115745 1 1 107384 109865 76426 12002 137988 12933 1 16013 60343 1 1 1 12468 1 616.331 *616.34* 616.34@1.0564014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117697 1 1 1 1 1 1 1 1 1 1 1 1 1 145494 136390 1 1 1 1 1 1 1 6923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81062 25850 1 1 616.34 *616.3788* 616.3788@1.0274047 1 1 1 1 1276 1 2982 2162 1 1 1213 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1478 1603 1863 1203 2527 1446 1 1 1 1 4549 1 1 1 1 1 1 1202 1321 1 2428 1 1 2274 4793 1 1 1 1 7027 3737 1 2764 1 1 1 1 1622 1 1495 1 3293 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1555 2621 2651 1 1 616.3788 *616.3868* 616.3868@1.016923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 616.3868 *616.408* 616.408@1.0921466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4781 1 1 1 1 1 6559 5697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.408 *616.4576* C34 H66 Cl2 N4 O 8686 6877 1 1 12565 13047 4049 2348 9718 9245 13415 10641 1 8398 9567 10054 11352 1 12079 9024 7349 9178 12410 11286 11451 10625 12835 14098 23952 21754 12832 6700 13480 12963 1 1 17259 17048 11023 10005 12660 13573 4835 5171 19896 8418 12726 12001 13911 14884 14247 13188 10950 11446 14411 11485 28667 13237 1 4688 14831 13212 1 1 12299 11984 6872 7606 19531 14973 4135 3741 8988 6634 4996 5749 19722 17485 13804 13448 6111 4768 5440 5059 10863 1 7980 14305 1 1 616.4576 *617.1868* 617.1868@1.1474453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.1868 *617.3359* 617.3359@1.0655829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.3359 *617.3651* 617.3651@6.379042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3826 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4506 3844 1 1 617.3651 *617.7582* C16 H Cl3 O14 S3 3268 3535 2373 2551 2995 2913 2713 2612 3086 2764 3392 3434 2975 1 3294 3248 2929 2824 3481 3179 2847 2723 2559 2671 3234 3318 2889 2784 2956 3022 2955 2927 2990 3182 3530 3309 2686 2660 3271 3041 2858 2854 2634 2433 2688 2637 2540 2655 2698 2336 2841 2734 2842 2902 2464 2501 2976 2970 2950 2894 3417 3206 3773 3470 2729 3095 2862 2760 2647 2349 3983 4076 2733 2698 2744 3165 2742 2767 3043 3340 3113 1 3119 3247 3098 3093 3392 3361 2920 2895 617.7582 *618.1791* 618.1791@1.1456081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.1791 *618.2504* 618.2504@0.99880284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.2504 *618.3442* Cucurbitacin B 21686 1 1 114756 36942 1 1 40682 31528 31886 1 28141 33101 33715 1 27803 21956 1 104244 34301 1 26791 1 27389 1 1 1 38549 33739 36418 17125 25015 21848 1 1 1 1 1 24618 1 29299 28483 54323 1 1 32317 1 33856 36332 36581 1 1 33099 34466 22538 22080 27809 29093 25388 25112 1 1 26327 1 36420 37660 55934 1 31805 1 1 1 29475 1 107086 46626 1 1 2514 27026 1 31264 183491 41838 1 1 1 1 28447 1 C08794 618.3442 *618.3622* 618.3622@1.124123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51033 51913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.3622 *618.3725* 618.3725@1.1167763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.3725 *618.3929* 618.3929@1.119818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.3929 *618.4001* 618.4001@1.0254459 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2763 1 1 1 1 1 1 1 1 1 4034 4503 1 1 1184 2645 1 1 1 1 1 1 1 1 2549 1 1 1 1 2354 3593 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 2137 1 1 618.4001 *618.4065* 618.4065@1.0203924 1 1 1 1 1 1 1 1 1 1 4105 4203 1 1 4974 1 1 1 1 1 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.4065 *618.4089* 618.4089@1.0389181 4735 1 1 1 1 1 3307 3323 1 1 1 1 2989 3133 1 5069 1 1 1 1 1 1 5070 5212 4478 4848 1 1 6219 7661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1916 1 1 1 1 9778 9900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.4089 *618.4671* 618.4671@1.0653255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5003 1 1 1 1 1 1 1 1 1 1 1 1 1 8035 1 1 1 1 1 1 1 1 1 1 1 1 1 7521 1 1 1 1 1 1 1 1 1 1 1 18998 9934 10194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8737 1 1 1 618.4671 *619.1431* 619.1431@1.1008089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 21097 20596 16603 12790 1 1 1 1 1 1 1 1 20199 16898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10826 10087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4633 4305 1 1 1 1 1 1 12477 6214 1 1 1 1 619.1431 *619.1946* 619.1946@2.9900472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12014 4732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.1946 *619.3432* 619.3432@1.0584481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.3432 *619.3475* 619.3475@1.071158 1 6411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9703 1 1 1 1 1 5784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 1 1 1 1 1 1 1 1 1 1 1 7351 1 1 1 14524 1 1 1 11437 1 1 1 1 1 1 1 1 1 1 1 1 1 5978 1 1 1 7447 619.3475 *619.406* 619.406@1.1467192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4197 1 1 1 1 1 1 1 1 1 1 1 1 1 619.406 *619.4713* 619.4713@1.0632089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 2391 2976 1 1 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 1 1 619.4713 *619.9365* 619.9365@0.88503706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 3297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.9365 *620.1212* 620.1212@1.1455412 1 1 1 1 1 1 4857 4272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.1212 *620.1912* 620.1912@3.0979638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.1912 *620.1913* 620.1913@2.9975548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41500 72732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.1913 *620.3532* 620.3532@2.5164547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7577 12743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.3532 *620.3542* 620.3542@2.4673629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.3542 *620.3584* C30 H50 Cl2 N10 38435 66531 54417 1 120926 121715 1 104538 115078 110712 113713 114390 102658 50249 1 90665 68202 1 1 74973 1 67878 88360 95208 108999 109947 1 67676 108229 104852 114293 124579 100962 1 28338 28160 1 1 55467 1 84031 89615 1 1 114599 108491 1 96423 150652 144733 1 1 83228 86530 70716 75095 133018 130146 93364 59138 1 1 64671 66163 50764 79989 176785 167199 129651 123982 1 85199 82451 1 1 96752 1 1 1 99858 1 101554 1 133021 1 50876 1 65141 98086 97651 620.3584 *620.3601* 620.3601@1.0526125 1 1 1 1 1 1 1 1 1 1 1 1 1 12813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.3601 *620.3606* 620.3606@0.8323473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17034 17166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.3606 *620.3687* 620.3687@1.1135211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 1 1 1 1 1 1 620.3687 *620.378* 620.378@1.1217446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.378 *620.3921* 620.3921@1.1186864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 1 3611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 1 1 1 1 1 1 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.3921 *620.4029* 620.4029@1.1148777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1 1 1 1 1 1 1 3918 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 7576 8767 1 1 1 1 1 1 6174 5663 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 620.4029 *620.4314* 620.4314@1.094769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45824 69356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7903 1 1 1 1 1 1 1 2589 1 1 620.4314 *620.4493* 620.4493@1.0904297 1 1 2302 1 8353 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 2275 1 1 1 1 7208 8617 1 1 1 1 1 1 1 1 1 1 1 1 8154 1 14838 6648 1 1 1 1 1 1 1 1 3896 11422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3532 1 1 1 1 1 1 1 1 1 1 1 620.4493 *621.1647* 621.1647@0.8763856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3898 4254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.1647 *621.1946* 621.1946@3.1099687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.1946 *621.3623* 621.3623@1.0592077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13341 1 1 1 1 1 1 1 1 1 7839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14449 1 1 1 1 1 20374 21085 14475 1 1 1 1 1 8702 1 1 1 1 1 621.3623 *621.3947* 621.3947@1.1022835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.3947 *621.4061* 621.4061@1.0995868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.4061 *621.4542* 621.4542@1.0918941 1 1 2348 2382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.4542 *622.3325* 622.3325@5.653992 1 1 1 1 3188 3412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9299 8851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4104 4175 1 1 1 1 1 1 1 1 2678 1 622.3325 *622.363* 622.363@1.0545495 28845 1 24521 1 1 1 1 1 1 1 1 1 1 49880 1 1 1 28574 1 1 1 1 1 1 1 1 1 72621 1 1 1 1 1 53607 1 1 1 1 1 1 1 1 16606 17680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45091 1 1 1 1 62038 1 1 1 1 1 28879 1 1 1 30670 1 61257 59489 47771 1 1 1 1 1 19848 1 1 1 1 1 622.363 *622.388* 622.388@1.1981988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4203 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7419 7755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.388 *622.3991* 622.3991@1.0999825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.3991 *622.4041* 622.4041@2.1793072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.4041 *622.4094* 622.4094@1.0982125 1 1 1 1 6979 1 1 1 1 5873 1 1 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 3855 2847 1 1 1 5928 1 1 1 1 1 1 1 1 1 1 1 1 6853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3483 1 1 5275 5842 1 1 1 1 1 1 1 4004 3296 1 3486 622.4094 *622.4181* 622.4181@1.095749 1 1 1 1 1 5496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6736 1 1 1 1 12417 16326 10084 1 1 1 1 1 1 12462 6593 8356 9800 1 1 2865 1 11119 1 1 1 1 1 1 4528 1 1 1 22695 1 1 1 10829 10108 1890 3118 1 1 8222 1 1 4018 1 1 1 3251 1 3516 1 1 1 1 4544 6229 1 1 7716 6548 1 1 4045 1 622.4181 *622.4286* 622.4286@1.0919538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4392 1 1 1 1 10109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21686 1 1 1 1 1 1 1 1 1 1 1 1 1 6573 3867 1 1 1 1 1 1 1 1 1 7237 1 1 1 1 1 1 1 622.4286 *622.4332* 622.4332@1.0922595 3352 1 1 1 1 1 1 1 1 1 38232 1 4317 3322 1 5727 5358 5051 5986 1 20390 5933 1 1 1 1 1 1 1 1 1 2047 1 1 4071 1 11215 1 1 1 1 1 1 1 1 1 2987 5253 9143 1 8371 5840 1 1 8774 8055 1 1 10550 9239 1 1 1 1 43855 14786 1 13787 8892 1 1 1 1 1 1 1 6283 1 1 1 1 1 1 1 1 1 1 1 1 3641 622.4332 *622.4956* 622.4956@1.048655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6133 7342 1 1 1 1 1 1 2888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.4956 *623.1528* 623.1528@1.1126869 12701 12190 1 1 1 1 1 1 1 1 7497 7002 1 1 1 1 1 1 1 1 13000 13836 1 1 1 5656 1 1 1 1 1 1 13788 14946 1 3925 7225 6128 1 1 1 1 1 1 1 1 1 1 1 1 20330 9235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12741 1 1 1 1 623.1528 *623.1812* 623.1812@0.90597284 1 1 1 1 1 1 6216 5983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4183 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.1812 *623.291* 623.291@3.3032525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9369 9421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.291 *623.3642* 623.3642@1.0520735 1 1 1 6879 1 1 12420 1 1 1 1 1 1 1 11097 1 1 1 6996 1 7798 1 1 1 1 1 12957 1 1 1 1 1 1 1 1 1 7980 9205 1 6664 1 1 1 1 1 1 11706 1 1 1 15523 15280 1 1 1 1 1 1 1 1 9579 9683 1 1 1 1 1 1 1 1 1 1 1 9570 1 1 1 1 1 1 12147 1 1 1 1 1 6864 1 1 1 623.3642 *623.4114* 623.4114@1.0893883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4114 *623.4193* 623.4193@1.094618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 1 1 623.4193 *623.4441* 623.4441@1.0884848 1 1 1 1 1 2518 1 1 1 1 1 3765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4840 1 1 3617 1 1 1 1 1 1 1 1 1 3490 1 1 3738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4441 *623.4846* 623.4846@1.0583557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4846 *623.4979* 623.4979@1.0511703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4979 *624.1533* 624.1533@1.1137518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.1533 *624.2596* 624.2596@2.966537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28084 28582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.2596 *624.4531* 624.4531@1.0753719 1 3829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.4531 *624.4585* C31 H66 Cl2 N6 O2 13704 4599 8935 1 3558 1 18011 18208 33948 34572 1 1 1 1 1 1 1 1 7938 29817 1 20242 1 35616 25875 24647 1 1 62481 2696 1 40853 1 1 11352 12284 50050 45203 1 1 29023 35713 1 1 43220 42226 26007 25566 44108 44524 1 34465 29940 1 24357 25724 2259 5524 39118 34954 1 1 14672 15110 8832 48111 41229 47968 1 34076 19599 10462 16768 16064 17709 23653 1 38271 23764 23580 26525 26148 27018 35367 28672 26167 1 1 27261 29790 624.4585 *624.4627* 624.4627@1.0832882 1 1 1 1 30655 1 1 1 1 1 1 1 1 1 1 1 1 1 20180 1 1 1 1 1 1 1 1 1 1 1 35834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34790 1 1 1 1 1 73939 73023 1 1 1 1 1 1 1 1 1 1 33257 1 1 1 1 1 1 1 37899 1 1 1 1 1 1 1 1 1 1 19715 1 1 624.4627 *624.4723* 624.4723@1.061366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.4723 *624.4827* 624.4827@1.0545763 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.4827 *624.4994* 624.4994@1.0502605 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.4994 *624.5053* 624.5053@1.0416332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2975 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.5053 *624.9584* 624.9584@1.079908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.9584 *625.1513* 625.1513@1.1116318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4300 1 1 1 1 1 625.1513 *625.3426* 625.3426@6.123565 1 1 1 1 6551 6437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.3426 *625.449* 625.449@1.1132505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.449 *625.4618* 625.4618@1.0947138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.4618 *626.2071* 626.2071@1.2621329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6361 6593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.2071 *626.2357* 626.2357@1.1652386 10731 1 5356 16037 1 1 1 1 1 1 5645 1 1 1 1 1 1 1 4374 1 10119 1 1 1 1 1 1 1 1 1 1 1 4741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5913 1 1 1 10678 5074 1 1 5217 1 1 1 1 1 1 1 1 5340 1 1 1 10440 1 9258 1 1 1 5938 13021 4455 4982 1 1 1 1 1 1 626.2357 *626.2794* 626.2794@1.1987758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12674 12198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8902 8681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.2794 *626.3508* 626.3508@1.0471036 13269 22774 1 31577 47937 39583 29436 1 4050 38228 19026 1 27366 1 16081 20770 1 1 23620 22977 4686 4143 1 1 40523 31182 1 29646 1 42831 5523 24852 28888 17449 5136 5726 44313 9207 14378 23771 11444 43181 11050 10223 20671 18804 1 46230 1 28370 21320 36378 37631 27192 37147 1 6776 7851 38487 21005 1 23579 10139 13131 30481 74847 1 43745 1 30993 28462 46490 22392 14270 37289 37361 1 25983 48688 19978 12798 20341 17814 18191 8452 30352 3862 5277 3508 3929 626.3508 *626.3616* 626.3616@5.7506757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3811 3657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.3616 *626.4579* 626.4579@1.1330775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2351 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.4579 *626.4695* 626.4695@1.1072735 1 8377 1 1 2571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3568 1 1 1 1 1 1 1 1 3870 1 1 1 30803 1 1 1 1 1 1 1 1 1 1 9088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.4695 *627.1084* 627.1084@1.5925457 1 1 1 1 1 1 3201 4108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.1084 *627.2264* 627.2264@3.0435777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5837 6355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.2264 *627.3547* 627.3547@1.0501266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.3547 *627.4587* 627.4587@1.085063 1 1 1 1 1 1 1 1 1 1 4421 1 1 1 1 1 1 1 1 1 1 1 4172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.4587 *627.4683* 627.4683@1.0890216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6749 1 1 1 1 1 1 5153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11643 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 7614 1 1 1 1 1 1 1 627.4683 *628.2196* 628.2196@3.1149704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.2196 *628.2199* 628.2199@2.9569023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.2199 *628.2203* 628.2203@3.0295706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12619 25154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.2203 *628.3616* 628.3616@1.0465842 1 1 5809 1 1 1 1 36275 9341 1 1 1 1 1 9233 1 4855 5370 9802 10679 8912 9752 1 36489 1 1 12816 1 1 1 9202 1 1 1 1 1 1 18280 10101 1 1 1 1 1 1 1 1 1 11502 1 1 1 1 1 1 9647 13310 13498 1 1 1 1 1 1 1 1 16666 1 53101 1 1 1 1 9121 1 1 1 1 1 1 1 1 1 1 11998 1 4521 1 6659 6719 628.3616 *628.3672* 628.3672@1.0440463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4564 1 1 628.3672 *628.3926* 628.3926@1.2008302 1 1 1 1 1 1 1 1 1 1 1 1 3482 2907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.3926 *628.4574* 628.4574@1.0845847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3341 1 1 1 1 1 1 5345 4523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.4574 *628.4686* 628.4686@1.1050369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9881 1 1 3223 1 1 1 1 1 1 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.4686 *629.2277* 629.2277@0.90838933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3644 6070 1 1 1 1 1 1 1 1 1 1 629.2277 *629.2278* 629.2278@1.9727036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3526 3481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.2278 *629.334* 629.334@1.0296808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5930 6263 1 1 629.334 *629.3576* 629.3576@1.046244 3401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3031 1 1 1 1 1 1 1 1 1 4831 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3571 3876 1 1 1 1 1 1 1 1 629.3576 *629.9023* 629.9023@1.1118537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8482 8382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7527 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.9023 *630.2331* 630.2331@1.1991132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3779 1 1 1 1 1 1 1 1 1 4562 3688 1 1 1 3542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.2331 *630.2438* 630.2438@1.2043042 1 3245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.2438 *630.3267* 630.3267@1.1032258 1 1 1 10437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.3267 *630.3773* C25 H56 Cl2 N10 O4 28512 2578 14430 1 1 1 1 1 36557 1 34793 1 1 1 32041 1 19848 25713 31031 31897 31298 29043 1 1 1 1 29975 1 23976 1 43997 1 1 16611 10611 6299 1 78747 25187 1 38464 1 7535 18299 37388 16144 1 1 34607 1 44991 1 1 1 1 35535 81544 81731 1 43404 1 1 11675 7294 52870 1 52878 1 1 1 1 1 1 25814 1 1 1 21589 1 28516 37902 33471 14830 13656 35191 1 37649 37331 14038 12186 630.3773 *630.4199* 630.4199@1.0795295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1752 1 1 1 1 1 1 1466 1 2807 6175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.4199 *630.4247* 630.4247@1.0742884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.4247 *630.4294* 630.4294@1.0854783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6894 2725 1 13716 1 1 1 1 1 1 1 1 5509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 5119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.4294 *630.4437* 630.4437@1.077167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3298 1 1 1 1 1 1 1 1 1 1 7893 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19070 20289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 630.4437 *631.2101* 631.2101@0.907 1 1 1 1 1 1 1 3745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.2101 *631.2839* 631.2839@1.9591763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49205 65983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.2839 *631.3709* 631.3709@1.0433964 1 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3312 3624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.3709 *631.3788* 631.3788@1.0406398 1 1 1 1 1 1 3899 1 1 1 1 1 2825 2980 1 3145 1 1 1 1 1 1 1 1 1 1 1 3695 1 6625 1 4092 4660 1 1 1 6927 1 1 2680 1 1 1 1 1 1 4441 1 1 4183 1 5157 1 3460 1 1 1 1 7454 1 2206 2797 1 1 1 1 1 5720 1 5333 1 1 3002 1 7543 4402 6040 1 1 1 1 1 1 1 1 4100 1 1 1 1 631.3788 *631.8998* 631.8998@1.1117469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.8998 *632.2445* 632.2445@2.4970767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8701 4187 1 1 1 1 1 1 1 1 1 1 1 1 1 7875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15924 1 1 1 1 1 1 1 1 1 1 10638 9955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.2445 *632.2448* 632.2448@2.8249197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3028 4340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5084 1 5745 1 1 1 1 1 1 632.2448 *632.2462* 632.2462@2.5314622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7602 7780 1 1 9844 8820 1 1 5624 7451 9261 7493 1 1 9413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11330 5822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7712 13404 13913 11557 16384 1 1 1 1 12231 12273 632.2462 *632.251* 632.251@1.2005422 1 1 1 1 1 1 7667 7718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.251 *632.2682* 632.2682@1.0091102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4137 1 1 24452 1 2483 1 1 1 1 1 1 1 1 1 7637 1 1 1 1 1 1 1 1 6208 1 1 1 1 1 1 1 1 1 1 1 3752 1 1 1 1 1 1 3296 1 1 1 24585 25433 1 1 1 1 1 2762 1 1 1871 1 2853 3187 1 1 3706 1 1 1 1 1 1 1 632.2682 *632.285* 632.285@1.8968824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.285 *632.3261* 632.3261@1.0972044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.3261 *632.3758* 632.3758@1.0443718 1 1 1 8602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7912 1 1 1 1 1 1 13479 26633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.3758 *632.3853* 632.3853@1.0371817 1 16387 1 1 1 10199 32595 1 1 1 1 1 22306 16536 1 27027 1 1 1 1 1 1 1 1 1 9087 1 18638 64133 41755 1 31594 29018 27807 1 1 34608 1 1 14578 1 1 10447 1 1 30149 23111 1 1 19750 1 28450 1 17378 1 1 1 1 31654 33025 11593 12450 1 1 1 1 1 26608 1 43371 1 1 23725 1 21296 20980 27556 33195 1 1 1 1 20624 25485 1 22258 1 1 1 1 632.3853 *632.3946* 632.3946@0.80932796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8310 8411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.3946 *632.4302* 632.4302@1.0832323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2227 1 1 1 1 1 1 1 1 1 1 1 1 2136 1 1 1 1 1 1 1 6156 4638 1 1 1 1 1 2047 1 1 1 1 1 1 4404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 632.4302 *632.4387* 632.4387@1.0807738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17634 1 3855 12478 1 1 1 1 1 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9217 1 1 1 2584 2915 1 1 1 1 1 1 1 1 1 4658 1 1 1 1 1 1 1 3071 1 1 632.4387 *632.4528* 632.4528@1.0825481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.4528 *632.4614* 632.4614@1.0836025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.4614 *633.0938* 633.0938@1.1906912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10368 10050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.0938 *633.2223* 633.2223@0.7642172 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.2223 *633.2964* 633.2964@1.9844271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.2964 *633.3219* C25 H35 N19 O2 5329 5082 5424 5612 3534 3757 8284 7656 6277 6083 6242 5355 5155 5068 7297 7643 4785 4690 5418 5347 4553 4411 5934 6046 5883 5787 5137 5243 5740 5827 6228 6366 6030 5776 3102 3144 5942 6162 4188 4587 9299 9195 3520 3413 4208 4299 6670 6396 6036 5295 6464 7188 4868 4761 6973 6948 9238 9033 6125 6380 8307 8620 6118 5735 3712 1 5215 5173 8767 7565 6065 6317 5110 5117 4837 4516 5311 5039 3963 4436 5812 5602 4903 5081 6669 6498 6403 6646 6087 5748 633.3219 *633.3872* 633.3872@1.0362257 1 1 1 1 3658 3973 1 3669 1 3968 6663 6403 1 1 1 1 1 1 1 1 1 1 4499 4104 3337 3210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4977 1 1 1 1 1 3690 1 1 1 1 3028 1 3824 1 1 1 1 1 1 1 1 1 1 6754 1 1 1 1 1 1 1 1 1 1 1 1 4525 4466 1 1 1 1 1 1 1 1 1 1 633.3872 *633.7336* C20 H Cl3 O8 S5 3495 3491 1870 2054 2487 2639 1729 2053 2112 1842 3345 3543 2465 1954 2275 2580 2371 2104 2467 2451 2213 2110 2297 2438 2482 2565 2497 2411 2438 2608 2531 2286 2477 2422 2489 2668 1998 1 2488 2126 2450 2414 1881 1973 1966 1998 1726 1 1596 1 2002 1861 2392 2254 1994 1 2119 2116 2455 2342 2998 2980 2949 3049 2197 2227 2126 1 1 1 2844 3098 1 2012 2046 2107 2012 1974 2704 2668 2260 1 2738 2894 2299 2203 2513 2706 2381 2349 633.7336 *634.0489* 634.0489@1.176085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5651 7109 1 1 1 1 1 1 1 1 1 1 634.0489 *634.3174* 634.3174@0.86287487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14449 15019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.3174 *634.3389* 634.3389@1.0889465 1 1 6020 1 1 1 5252 4614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2316 1 1 1 5835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.3389 *634.3816* 634.3816@1.167356 1 1 1 1 1 1 9807 9619 1 1 1 1 1 1 1 1 4314 5328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8048 8407 3986 1 634.3816 *634.3913* 634.3913@1.0369451 1 1 1 1 11358 11387 1 24864 1 1 21825 1 1 1 1 1 1 1 1 1 1 1 19200 48405 17042 17656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17275 1 1 29432 1 1 19682 1 1 1 1 17355 1 14977 1 1 1 1 1 1 1 1573 1 23729 59122 1 9345 12837 1 1 1 1 1 1 1 1 1 16928 18715 1 1 1 1 1 1 1 1 1 3966 634.3913 *634.3965* 634.3965@1.0381808 1 1 1 1 1 1 1 1 1 17488 1 21491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.3965 *634.4328* 634.4328@1.0821035 1 1 1 1 1 1 1 1 1 1 3427 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 2644 2500 1 1 1 2501 1 1 1 1 1 1 1 1 6789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30683 1 1 8463 1 1 1 1 1 1 1 1 1717 2356 1 1 1 1 1 1 2350 1999 1 1 1 634.4328 *634.4379* 634.4379@1.0820132 1 1 1 1 11322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4808 1 1 22365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5963 1 1 1 1 1 1 1 1 1 6782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.4379 *634.4522* 634.4522@1.0865784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7170 1 1 1 1 1 1 1 2762 1 1 1 1 1 1 1 23108 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5612 1 1 1 1 5841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 1 1 1 2127 1 1 1 1 1 1 1 634.4522 *634.4666* 634.4666@1.078136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5058 1 1 1 1 1 1 1 1 1 1 1 1 1 3900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.4666 *635.338* C26 H54 Cl N3 O12 3591 6053 4399 6438 2976 3536 4760 4970 4530 7301 3795 3723 3690 1 5549 6014 1 2744 5752 6374 7069 3506 3928 3440 4138 3764 3822 3943 5062 4716 6444 6749 4875 4855 1 1 4595 1 8959 4458 5471 5394 1 3737 1 3250 5205 5007 3406 3575 4887 4854 1 1 4478 4408 9775 6791 5259 9826 4544 4133 1 2676 3775 4052 4124 3475 5701 5671 5290 5117 3869 3662 2418 1 7080 4825 4856 4132 3914 3790 3604 3373 4718 4718 5981 6470 3221 3443 635.338 *635.3996* 635.3996@1.032986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5783 6049 4391 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4056 1 1 1 1 1 1 1 1 1 1 2274 1 1 635.3996 *635.7309* 635.7309@5.558525 1 1 1 1 1 1 1 1 1 1 1959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.7309 *635.9325* 635.9325@0.8820313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.9325 *636.16* 636.16@1.249121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6368 6509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.16 *636.1643* 636.1643@1.0975002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6635 5149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8817 8332 1 1 1 1 8960 9317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.1643 *636.3149* 636.3149@1.0890536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4605 4644 1 1 636.3149 *636.3285* 636.3285@0.89039874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6951 7176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.3285 *636.3409* 636.3409@1.0844874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.3409 *636.3824* 636.3824@1.0366566 75560 75349 50221 20776 1 1 1 1 1 1 1 1 1 9529 1 1 53107 1 84222 86691 1 31134 1 1 1 1 12617 11492 1 1 52288 52122 1 1 30006 1 1 1 9935 97032 59767 1 1 1 1 117757 148169 1 6207 5339 17331 17017 1 9923 1 86058 60115 1 1 1 8259 8051 14636 1 1 1 9806 8333 124223 1 61703 1 1 71989 12384 132407 12892 12461 1 1 80175 11131 82851 1 241353 241711 1 1 39875 4525 636.3824 *636.3839* C39 H56 O5 S 1 1 6434 1771 11906 1 1 8291 25171 10004 16196 21400 8667 6199 9404 12532 1 1 23717 21463 17749 31142 44289 51050 1 1 12300 4850 8494 12175 1 26843 1 1 1 1 23450 12322 31079 23482 24723 10378 1 1 153986 1 10798 1 1 1 1 26155 1 1 5047 13715 43583 29075 4333 5644 208983 183850 1 8299 1 1 38714 3397 43588 1 1 1 4140 11406 28121 18206 1 13568 65224 57533 52182 81657 26891 28242 1 97662 1 8915 5079 12151 636.3839 *636.3844* 636.3844@2.08398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.3844 *636.3847* 636.3847@2.2541704 1 1 2228 1 1 1 1 1 1 7857 1 1 1 3988 1 1 1 1 1 1 1 1 10886 11797 1 1 1 5282 1 1 1 1 1 1 1 1 1 1 1 1 7482 1 1 1 59045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14225 1 40077 1 7083 1 1 7850 6816 1 1 1 1 8789 1 1 1 1 1 16862 1 16266 1 7270 9691 1 1 1 1 9631 1 636.3847 *636.3858* 636.3858@2.234601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6659 1 1 1 1 1 1 636.3858 *636.3868* 636.3868@1.0358728 1 1 1 1 1 1 1 1 30255 1 1 1 1 1 78304 1 1 1 1 1 53885 1 1 1 1 1 1 1 1 106947 1 1 6255 6027 1 1 17793 1 1 1 1 1 41169 56336 1 1 1 1 1 1 1 1 1 1 1 1 1 58944 145340 10331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54937 136964 1 1 636.3868 *636.4214* 636.4214@1.0895151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5198 1 1 1 1 3219 1 1 5807 1 1 1 5759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5118 1 1 1 1 1 1 1 8325 4885 1 1 1 1 1 636.4214 *636.4286* 636.4286@1.081734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6365 1 1 1 1 1 1 1 1 1 4711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.4286 *636.4302* 636.4302@1.085983 1 1 1 1 1 3792 1 1 9289 1 8991 5907 1 1 1 1 1 1 6819 1 1 9376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32114 1 3428 1 1 1 1 1 17449 12334 1 1 1 9274 1 1 6879 1 1 1 1 1 14326 2816 1 4097 1 1 27780 1 1 19339 1 1 1 1 1 1 6853 1 4488 9478 1 1 1 1 7095 1 1 1 1 1 1 1 636.4302 *636.4586* 636.4586@1.0861443 1 1 1 1 1 1 1 1 1 4014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10535 1 29056 1 1 1 1 1 1 1 10188 11779 1 1 1 1 1 1 1 1 1 6692 1 1 1 1 1 33808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.4586 *636.4727* 636.4727@1.0785022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.4727 *637.1256* 637.1256@0.8275756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14586 14334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18299 17031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43783 41048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.1256 *637.172* 637.172@1.1121062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5295 5451 1 1 1 1 1 1 1 1 1 1 6596 7557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9391 10467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.172 *637.2575* 637.2575@1.9752109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20844 16876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.2575 *637.2592* 637.2592@2.0859294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18757 24766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.2592 *637.3536* C25 H39 N19 O2 1 1 1 1 1 1 4346 3773 3160 1 1 1 1 3184 4465 4707 1 1 5930 5445 1 1 3398 3188 3742 3447 3672 3709 3837 1 3953 4003 4041 3795 1 1 1 1 1 4575 3782 4026 2981 2739 1 1 1 3358 1 1 3285 1 1 3416 1 2893 1 3415 4010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 5056 4853 4749 1 1 1 637.3536 *637.3732* 637.3732@1.0383925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.3732 *637.3875* 637.3875@2.118487 1 1 1 1 1 1 1 1 1 1 12576 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10721 1 1 1 1 1 1 1 1 1 8750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25048 7712 1 1 1 1 637.3875 *637.3877* 637.3877@2.3342874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9627 4637 1 1 1 1 637.3877 *637.3897* 637.3897@1.0420043 1 1 1 1 1 1 5070 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5377 1 1 1 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.3897 *637.983* 637.983@1.121564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9891 9758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.983 *638.263* 638.263@2.10246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37059 35435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.263 *638.3495* 638.3495@1.0899752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.3495 *638.3855* C34 H64 Cl2 O4 S 1 1 1 1 111854 96835 143033 52223 1 16780 88002 86118 88676 88905 1 71482 1 80115 1 1 1 1 105125 1 92618 82679 171327 68227 112828 1 1 1 32967 83060 1 36998 86815 230526 86828 1 1 76557 1 1 137750 1 1 138943 89286 78098 74998 70847 108598 107572 79220 1 1 1 1 134131 42012 41633 1 37454 122915 1 101320 113963 1 128698 1 75431 65253 1 43167 1 161497 162816 78897 82142 1 78243 1 75216 1 1 1 1 1 36250 638.3855 *638.3913* 638.3913@2.152934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.3913 *638.3993* 638.3993@2.8460178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19319 22959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11699 8722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7860 1 1 1 1 1 1 1 1 638.3993 *638.422* 638.422@1.0970049 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.422 *638.4321* 638.4321@1.1096258 1 1 1 7199 1 1 1 1 1 12158 1 1 1 1 10220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2702 1 1 1 1 6307 7357 6135 1 1 1 1 1 1 1 1 1 1 1 1 1 13306 11396 1 1 1 1 1 1 1 1 6542 3174 1 1 1 1 1 1 1 1 5926 1 1 1 2725 1 1 1 1 1 638.4321 *638.4458* 638.4458@1.0912886 1 1 1 1 4561 13950 1 1 1 1 1 1 1 1 1 1 1 1 1 14785 1 1 1 1 1 1 1 1 22479 1 1 1 1 1 1 1 1 34221 1 1 1 1 1 1 1 1 1 1 1 1 7112 1 1 8786 7909 2596 4885 1 1 10716 1 1 1 1 1 1 1 1 8269 1 1 1 1 1 1 1 4784 1 1 1 1 7436 1 1 5821 2175 1 1 3702 1 638.4458 *638.4551* 638.4551@1.0862682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15598 1 1 9618 1 1 1 1 1 1 1 1 1 8660 1 1 1 1 1 1 1 1 1 1 638.4551 *638.4648* 638.4648@1.0856427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.4648 *638.4805* 638.4805@1.0712306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.4805 *638.5168* 638.5168@1.0644649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 2555 2569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.5168 *638.5274* 638.5274@1.0660726 1 1 1 1 1 1 1 1 1 1 1 1 2338 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 1 1 1 1 638.5274 *638.5381* 638.5381@1.0641413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 11720 10796 1 1 638.5381 *639.0837* 639.0837@1.543691 1 1 1 1 1 1 1 1 1 6498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 6615 1 1 1 1 1 1 1 1 1 1 6038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.0837 *639.387* 639.387@1.0332361 1 1 1 1 1 1 1 1 1 6219 1 1 1 1 1 1 1 1 1 1 1 1 1 10580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.387 *639.4629* 639.4629@1.0842553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.4629 *640.3221* 640.3221@1.1745522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7595 6847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 640.3221 *640.3811* 640.3811@1.0874918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 640.3811 *640.3904* 640.3904@1.037995 1 1 1 32182 1 1 1 113986 38291 37290 6049 3452 1 1 1 1 1 1 1 1 1 20670 1 61209 1 1 1 91556 1 1 1 1 53552 1 1 1 162407 1 1 1 1 1 1 1 1 1 1 1 1 1 128226 121285 1 1 1 1 85569 95697 1 1 57346 62084 22752 1 1 86719 1 1 1 1 1 1 1 1 38501 1 1 1 1 1 1 1 1 1 1 1 82791 1 1 1 640.3904 *640.4049* 640.4049@1.1230251 1 1 1 1 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 640.4049 *640.4327* 640.4327@1.0910603 1 1 3903 1 1 1 1 1 8014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3353 1 1 1 1 1 1 1 1 1 1 2525 1 1 1 1 640.4327 *640.4449* 640.4449@1.0932562 1 1 1 1 7063 1 1 1 1 1 1 1 1 1 1 5016 1 6176 12044 1 1 1 1 1 1 1 1 1 1 6435 1 1 1 1 1 1 1 1 9340 7980 4298 7282 1 1 1 1 1 4318 1 7955 1 1 6382 1 1 4962 1 1 1 1 1 1 1 4054 1 1 1 1 1 1 1 1 1 1 1 4073 7947 6737 4619 1 1 1 7121 8661 1 1 1 1 1 4908 640.4449 *640.4581* 640.4581@1.0933238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6156 1 1 7156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 640.4581 *640.5524* C36 H73 Cl N6 O 1 1 1 1 2314 1 4411 4899 1 1 1 1 3382 4201 3207 3102 1 1 7696 7706 8567 7823 3763 4489 3279 4092 1 1 2971 3123 1 4526 1 1 1 1 1 1 8198 8985 1 1 3915 4246 3358 4365 3106 3432 1 1 6739 9302 2573 3458 1 1 1 1 2868 4049 1 1 1 1 1 1 1 1 1 1 4408 4073 1 1 3220 2535 1 1 6323 6325 2999 4275 1 1 4392 5195 24332 21436 1 1 640.5524 *641.3966* 641.3966@1.0339141 11308 11874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8405 1 1 1 8331 7721 1 1 1 1 1 1 1 12915 8006 8525 1 1 4932 1 1 1 1 1 1 1 6201 1 1 16887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9428 1 1 1 14220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.3966 *641.4534* 641.4534@1.0927477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.4534 *641.4629* 641.4629@1.093784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.4629 *642.1958* 642.1958@1.3459401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.1958 *642.3424* 642.3424@1.1925687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 3018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.3424 *642.3849* 642.3849@1.088768 1 1 1 1 1 1 1 1 1 1 13177 6222 1 1 1 1 1 1 1 1 1 1 11530 11792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.3849 *642.386* 642.386@2.1224086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2965 1 1 1 1 1 642.386 *642.3874* 642.3874@2.0900893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7740 8824 1 1 1 1 28943 29212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10966 11396 1 1 19229 17423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10181 13319 1 1 1 1 642.3874 *642.4035* 642.4035@1.0330082 26195 23448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24303 1 1 1 22861 21981 1 1 1 1 1 1 1 30586 22333 24485 1 1 12455 1 1 1 1 1 22883 1 17930 1 1 35510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19558 1 1 1 34398 1 1 1 1 1 18011 1 1 1 1 1 1 1 1 1 642.4035 *642.4524* 642.4524@1.0958126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4672 1 1 1 1 1 1 4866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.4524 *642.4594* 642.4594@1.0946403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9953 6520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.4594 *643.3882* 643.3882@1.089964 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.3882 *643.4086* 643.4086@1.0328465 1 1 3265 1 1 5055 10638 1 3667 3699 4245 11430 5119 5241 4922 5385 1 1 4884 4958 1 1 1 1 1 4943 1 13270 5505 1 1 1 1 3640 1 2456 1 11628 5010 4639 1 4206 1 3693 7515 1 7892 7919 1 4650 1 1 10140 5360 7287 4322 8527 1 8791 8837 9738 1 2347 1 6524 1 6076 1 6945 1 1 4563 3598 3845 1 6984 8599 8818 5081 4742 1 4224 4220 4037 8468 19723 9557 9287 2522 2603 643.4086 *644.1323* 644.1323@1.1580415 1 1 1 1 1 1 5233 4651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.1323 *644.2954* 644.2954@1.1020637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68571 69551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27841 28964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26492 26472 1 1 1 1 1 1 1 1 1 1 11999 11161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.2954 *644.3067* 644.3067@1.1031924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2464 2955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.3067 *644.377* 644.377@1.0598286 1 1 19888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22563 1 1 1 1 1 1 1 1 1 17272 18946 1 20256 30791 45217 1 1 29918 1 1 1 1 1 1 1 1 1 1 1 1 18611 1 1 1 1 8979 1 644.377 *644.3846* 644.3846@1.0598991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3142 1 1 1 1 1 1 1 644.3846 *644.3957* 644.3957@1.0658108 1 3134 1 1 1 1 1 1 6627 1 1 4772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 644.3957 *644.4019* 644.4019@0.7190882 6546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4019 *644.4107* C36 H58 Cl2 N6 1 1 2331 3070 1 6360 19035 1 3029 6310 6974 1 4499 6977 7887 8928 1 1 6716 7802 1 1 1 10807 1 10354 1 1 9754 1 1 1 7090 6792 1 3124 1 17122 5083 5842 1 9543 1 4420 11840 1 12983 12402 1 6263 1 1 1 7312 4186 6353 18947 20952 14568 15069 1 7772 1 1 5989 1 4545 1 7739 1 1 6889 5129 4888 1 8987 12751 11084 9274 7457 4166 7987 4739 3796 8563 1 11530 16844 2184 2726 644.4107 *644.4165* 644.4165@1.0149899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 644.4165 *644.4252* 644.4252@1.1880646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43578 43342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4252 *644.4391* 644.4391@1.0983957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4391 *645.1903* 645.1903@0.89320993 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.1903 *645.3198* 645.3198@1.0252943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 645.3198 *645.396* 645.396@1.0322143 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 1 1 1 1 1 645.396 *645.4072* 645.4072@1.0282462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.4072 *645.4133* 645.4133@1.0284613 1 1 1 1 1 1 1 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4743 1 1 1 1 1 1 1 1 2779 1 1 1 1 1 3251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3356 2725 1 1 1 1 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.4133 *646.1239* 646.1239@1.1233855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 3221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7116 7967 1 1 646.1239 *646.2247* 646.2247@2.87148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15225 15274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.2247 *646.2386* 646.2386@1.1750339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.2386 *646.2544* 646.2544@0.9084744 1 1 1 1 1 1 5423 4972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.2544 *646.3713* 646.3713@1.0682179 1 1 1 20932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.3713 *646.3832* C30 H63 Cl N2 O6 S2 23163 18763 1 1 25267 24048 31920 31211 16970 5573 31988 21365 27464 32868 27491 23774 15677 17850 27232 25225 22857 20988 32474 1 29068 28668 20971 21124 35772 36290 1 6176 23142 24106 11148 1 41559 28019 1 1 27265 25266 13116 14300 42690 29065 33067 31282 35359 37816 26706 26898 1 22856 21211 22111 1 1 43562 39770 18095 18901 1 1 27610 1 1 1 36811 46664 1 35172 15735 25948 23504 32558 39205 44234 37090 31405 29196 24127 30608 1 19736 23237 1 1 1 21073 646.3832 *646.3847* 646.3847@1.0774679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2627 1 1 1 1 1 1 1 1 646.3847 *646.3942* 646.3942@1.0715041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3024 1 1 1 1 1 1 19543 1 1 1 1 1 1 1 14217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44062 51240 22630 24271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.3942 *646.4041* 646.4041@1.0665618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19604 1 1 1 1 1 1 1 1 1 1 1 1 1 3557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24381 1 1 1 646.4041 *646.4269* 646.4269@1.0853472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5641 1 1 1 1 1 1 1 1 1 1 1 18437 1 1 8760 7694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8549 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 646.4269 *646.4372* 646.4372@1.0870996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5361 10215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.4372 *646.4487* 646.4487@1.0924495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.4487 *647.1268* C39 H31 Cl2 N S2 1 1 1 1 1 2495 1 1 3803 3613 1 1 4101 4357 6112 6705 3230 3778 2959 2684 2871 3013 3077 3301 5951 6039 2818 2730 3522 3377 2497 2544 1 1 1 1 3707 3854 3013 2840 5043 5080 1 1 1 1 3012 2761 4031 4214 3174 2860 4693 4218 3375 3421 3247 3162 3163 3086 3140 3072 3000 3122 1 1 1 1 3358 3309 2956 1 1 1 3390 3323 3155 2934 1 1 3165 3498 1 1 1 1 3828 4169 1 1 647.1268 *648.1254* C43 H21 Cl N2 O3 7261 7550 5544 6035 6218 6310 1 1 9910 9042 6153 6070 10940 10281 17982 16937 9501 9869 7444 6908 7778 7612 8022 7861 16892 16818 7045 7079 9241 8838 6396 6795 1 1 1 1 9638 10198 7795 7702 14574 13245 1 1 1 1 7719 7470 11377 11463 7929 7743 11868 11382 9737 9685 8299 7957 7489 7051 7521 8056 8336 8210 1 1 4956 5346 8772 9554 7939 7949 1 1 9436 8836 8302 7588 3475 3864 7994 6596 1 1 4259 4280 11440 10343 1 1 648.1254 *648.238* 648.238@2.0200226 1 7033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3672 4710 24579 2431 1 1 1 1 4134 1 1 1 2240 1 1 1 1 1 1 1 2533 1 1 2244 1 21568 6201 26854 1 1 1 1 14723 2263 648.238 *648.2385* 648.2385@1.9861188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 1 1 1 1 4816 1 648.2385 *648.2386* HYDROLYSIS PRODUCT OF BUSSEIN - 1.1705549 4271 4530 3850 4312 1 1 1 1 1 1 3579 3614 4561 4433 4773 4458 2908 1 32656 31119 1 1 7047 7839 4132 4369 4170 4824 4922 5915 1 1 9100 8683 1 1 1 1 1 1 11283 12342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3356 6877 7073 3193 2896 1 1 3324 3259 3837 1 4834 4681 8780 8469 1 1 4495 4155 5089 4573 1 1 5826 5426 12766 12733 1 1 5388 6070 7388 8138 648.2386 *648.24* HYDROLYSIS PRODUCT OF BUSSEIN 20388 8217 20569 21677 12479 12802 9054 8724 7448 1 16353 11541 18540 20311 17929 17335 13350 13013 59647 59037 11082 15552 26192 25504 20356 20278 20777 20809 25182 28078 12029 11637 39031 23242 1 1 13270 13678 8612 8319 39521 38125 11841 12575 15320 14925 11603 11580 14530 13336 12057 10562 10790 9844 12554 14780 16068 16069 3697 27687 16245 15421 9146 8946 9951 17104 18576 21846 22407 24504 34258 33031 16513 15745 22843 24589 24581 22869 14285 15394 23098 2632 38658 11093 10325 10913 20330 20379 4998 23872 648.24 *648.3895* 648.3895@0.82784367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10347 10190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.3895 *648.3923* 648.3923@1.0525885 1 1 1 1 1 1 1 1 1 26469 1 1 1 1 1 1 1 1 1 1 1 1 1 27310 1 1 1 1 1 1 1 20512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19820 13812 1 648.3923 *648.4009* 648.4009@1.0775765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.4009 *648.4157* 648.4157@1.0775268 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3221 1 1 3370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3357 1 1 648.4157 *648.436* 648.436@1.0930223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3348 1 1 1 1 1 1 1 1 1 1 1 1 1 4824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4739 5492 8365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.436 *648.4552* 648.4552@1.0922266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4375 1 17318 6361 1 1 1 1 1 1 1 1 1 1 6961 1 1 1 1 1 1 1 1 1 1 1 4438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.4552 *649.2424* 649.2424@2.0174456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2702 1 1 1 1 1 1 1 1 1 1 1 1 1 12520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.2424 *649.3955* 649.3955@1.0572008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 3451 4653 1 1 1 3453 1 1 1 1 1 1 1 1 1 1 1 1 3046 1 1 1 1 1 1 649.3955 *649.4455* 649.4455@1.086775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.4455 *649.4595* 649.4595@1.0752382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.4595 *650.211* C37 H35 Cl N4 O3 S 11063 11039 11437 11414 5532 6343 2624 2505 4831 4259 17002 15885 9389 10376 6910 7174 6883 8177 18844 20049 9916 9375 13566 14188 6970 8248 12810 11475 22583 23206 6766 7889 15907 15913 1 1 9149 9340 5694 5806 4019 8789 4291 3627 9390 8323 4252 4124 4927 5674 3052 2977 1 2284 3208 1 10400 10811 18458 21051 1 1 1 1 1 3037 5102 6191 8485 8734 7340 7493 10837 11368 5316 5659 8748 8034 6642 7400 13295 13977 15118 13954 1 1 9664 8275 5043 4919 650.211 *650.3128* 650.3128@3.504509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9867 10791 1 1 1 1 9932 9616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.3128 *650.3862* 650.3862@1.0353506 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.3862 *650.3968* 650.3968@1.0553693 1 7877 5702 1 1 1 1 1 10686 1 1 15080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7899 5984 1 1 1 1 1 1 1 1 1 11363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6648 1 1 18427 9874 1 18645 22639 1 1 1 14152 1 8147 1 7365 1 1 1 1 1 1 1 1 10368 1 1 1 1 1 1 650.3968 *650.4287* 650.4287@1.1066769 1 1 1 1 1 1 1 1 1 1 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.4287 *650.438* 650.438@1.0915195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6977 1 1 1 1 1 1 1 1 2362 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.438 *650.4492* 650.4492@1.0851512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7350 1 1 1 1 1 1 1 1 1 1 1 1 1 7761 1 1 1 1 1 1 1 1 1 1 10176 4618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.4492 *650.4725* 650.4725@1.0894109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.4725 *651.4005* 651.4005@1.05231 1 1 1 1 1 1 1 1 1 1 4506 1 1 1 3080 3148 1 1 1 1 1 1 1 1 2912 2595 1 1 1 4238 1984 1 2043 1 1 1 1 1 1 1 2224 1 1 1 1 3230 2586 3086 1 1 1 1 1 1 1 1 5179 1 1 1 1 1 1 1 2899 1 1 3865 3825 1 1 1 1 1 1 1 4205 4559 1 3180 1 1 1 1 1 1 1 1 1 1 651.4005 *652.231* 652.231@1.213752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 652.231 *652.2701* 652.2701@1.2038823 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 1 1 1 652.2701 *652.3496* 652.3496@1.0971063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9489 10200 1 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5832 1 1 1 1 1 1 1 1 1 1 1 3979 4545 1 1 1 1 1 1 1 1 1 1 652.3496 *652.3533* 652.3533@1.6294843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21264 21603 1 1 1 1 1 1 1 1 1 1 4275 1 1 1 4532 4432 1 1 1 1 1 1 1 1 1 1 1 1 6056 5739 1 1 1 1 5748 5751 32402 40714 1 1 1 1 8078 7501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.3533 *652.3759* 652.3759@1.048126 1 1 1 1 1 1 1 1 1 1 1 1 65193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95687 1 1 1 1 1 1 1 1 1 1 28538 1 1 1 1 1 1 1 1 1 1 1 1 1 79815 78684 1 67876 1 1 1 1 129954 84350 1 1 1 3620 1 1 1 1 1 1 1 1 138688 95903 1 1 1 1 1 1 1 1 10668 168589 1 1 1 1 652.3759 *652.383* 652.383@1.0440209 51790 1 15474 1 27613 5212 1 64932 22018 1 128100 1 1 1 1 1 1 1 57819 59771 1 1 74073 1 53651 92373 1 1 204758 1 1 1 1 38797 20776 1 1 1 1 1 4007 113087 32400 30581 1 1 1 1 1 1 165379 160834 1 1 109957 1 1 20620 1 1 1 1 1 1 100933 1 1 1 1 1 1 1 81163 1 1 1 1 1 1 1 96009 7318 1 1 1 1 1 1 28671 1 652.383 *652.4002* 652.4002@1.0444847 1 1 1 1 1 1 1 1 1 1 1 4939 1 1 1 1 56229 1 1 1 1 1 1 1 1 1 1 1 1 1 39423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46050 1 1 1 652.4002 *652.4136* 652.4136@1.0889736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.4136 *652.4298* 652.4298@1.1016672 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.4298 *652.4413* 652.4413@1.0934725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11788 12601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.4413 *652.4593* 652.4593@1.0914463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.4593 *652.4681* 652.4681@1.0852001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10026 1 1 1 1 1 1 1 1 3649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.4681 *652.9924* 652.9924@1.0756258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6598 5804 1 1 7022 7599 1 1 4492 2235 1 1 1832 4429 1486 1 1 1 1 1355 1 1 1 1 652.9924 *653.2157* 653.2157@1.2036598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.2157 *653.355* 653.355@1.601096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.355 *653.387* 653.387@1.0422387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 1 1 1 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.387 *653.3982* 653.3982@1.0456645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.3982 *654.3055* C37 H50 O6 S2 17197 17519 6330 7344 5127 5254 24556 24652 11741 11563 11072 11493 8664 9188 40699 40093 28465 29795 37421 37879 7077 7432 22675 23596 65837 66789 19307 19211 36906 37793 2623 2778 6289 5272 1 1 1 1 1 1 10484 10490 1 1 2788 1952 2354 2229 3984 3990 8485 8281 5372 5512 4772 4493 5757 5926 1885 2560 3769 3507 3454 3508 4123 3515 11149 11171 1 1 6490 6302 4040 3929 3836 4053 2296 2501 5164 5124 3311 3496 7738 8403 5897 6257 14829 14946 7460 7720 654.3055 *654.3818* 654.3818@1.075496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2961 1 1 1 1 1 1 1 1 1 1 1 654.3818 *654.3819* 654.3819@1.0432515 1877 1 1 75274 1 32468 1 1 1 83873 1 118873 1 95232 1 1 1 1 1 1 1 1 1 145607 1 1 1 1 1 1 1 90711 1 1 1 31453 223978 1 1 81863 102935 1 1 1 209211 1 1 1 121159 121332 1 1 1 1 1 1 49055 299159 148636 193721 1 1 1 57585 1 187878 204931 1 1 190397 87219 85841 1 99609 1 1 1 1 138674 1 1 26664 70572 98078 50443 1 1 111555 1 15389 654.3819 *654.4299* 654.4299@1.1017632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.4299 *654.4552* 654.4552@1.1027365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.4552 *654.4769* 654.4769@1.0922706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.4769 *654.9893* 654.9893@1.0768827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 1 1 1833 1 1 1 1 1 1 1399 1 1106 1 1 654.9893 *655.3318* 655.3318@3.864383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41456 40538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.3318 *655.3858* 655.3858@1.0455322 1 1 5187 1 9444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13197 12896 1 1 1 1 6026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.3858 *656.1525* C35 H28 O13 2550 2428 2595 1 7566 7982 3348 1 1 1 3244 1 2957 1 7931 7740 1 1 9793 10032 9198 8689 2649 2633 9557 9595 7977 7481 6573 6285 4505 4934 1 1 4972 5098 3337 3161 4202 3769 1 1 5050 5352 3772 4011 4346 4746 1 1 1 2458 1 1 1 1 6046 6294 4686 4433 2676 2825 10096 10228 1 1 3424 1 4238 4826 9719 9970 6839 6918 3045 3046 7137 6704 10062 10820 6136 5919 9545 9550 10976 11361 12726 12103 8801 8342 656.1525 *656.3917* 656.3917@1.0442798 1 1 60863 1 135863 132561 1 1 93123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137418 147769 1 1 1 1 74693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255300 1 1 1 1 1 48314 1 1 1 1 1 6390 1 1 1 1 1 1 1 1 1 1 1 1 28157 1 1 145939 1 1 1 1 14614 656.3917 *656.4044* 656.4044@1.0142922 1 1 1 2693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.4044 *656.4406* 656.4406@1.1029971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5296 5265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.4406 *657.158* 657.158@1.1308335 13023 12547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5697 3486 1 1 1 1 1 1 1 1 1 1 1 1 5008 5651 1 1 1 1 1 1 1 1 1 1 1 1 13164 12320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.158 *657.3227* 657.3227@6.4272165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4202 4480 1 1 2158 1 3693 3940 2916 1 2732 1 1 1 1 1 1 1 3652 3809 1 1 1 1 1 1 1 2960 1 1 1 1 1 1 1 1 3756 3859 1 1 657.3227 *657.3475* 657.3475@4.3867707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9623 10014 1 1 1 1 1 1 54653 49078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.3475 *657.3477* 657.3477@4.2318096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.3477 *657.3481* 657.3481@4.2129273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12899 4876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.3481 *657.3487* 657.3487@4.048915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12818 12665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.3487 *657.3955* 657.3955@1.0427774 9459 10155 1 1 1 1 12283 12928 1 1 1 1 12544 1 8922 1 1 7408 11325 12526 9483 1 14383 1 10570 1 19179 19275 1 1 8492 1 1 1 4047 1 1 22582 1 1 1 1 5923 5778 1 18636 1 14050 1 1 1 1 15077 15145 1 12849 1 1 1 1 1 15724 1 1 19056 1 1 1 17485 1 1 1 1 1 1 17230 20068 21551 1 14394 1 11181 1 1 1 1 10333 1 5592 5892 657.3955 *657.8904* C19 H6 N4 O17 S3 28588 28147 28956 29101 31319 30270 32958 33174 31951 32352 26973 26538 28816 29392 33385 32602 31300 30929 38757 40517 30948 30935 29889 30620 36951 36714 29910 29597 29535 29912 27544 27714 29551 30127 30276 29542 30330 30061 29197 29388 32015 31771 26702 26842 30057 30532 29205 28882 31237 30493 32223 33745 34390 33179 29047 28748 30586 30926 29836 29699 27417 27490 30084 30320 30744 30748 34722 36060 32906 34262 39656 38769 27218 27295 28795 29795 29262 28491 29028 30367 32494 31789 29764 30661 31833 31951 36331 35676 27612 28213 657.8904 *658.3352* 658.3352@2.8878815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11894 9948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.3352 *658.4028* 658.4028@1.0433167 53330 51932 1 2975 1 1 84869 82384 1 1 1 1 56429 1 63116 1 1 44616 50672 50954 57963 1 61538 1 62775 1 98708 98965 1 1 53353 1 1 1 22085 1 1 146494 1 1 1 1 30630 34241 1 117160 1 90127 1 1 1 1 64564 65364 1 68541 1 4820 1 1 1 64489 1 1 96557 1 1 1 112273 1 1 1 1 1 1 77375 129340 130542 1 85640 1 62379 30966 1 1 1 79152 1 32819 34083 658.4028 *659.3592* 659.3592@4.4228473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.3592 *659.3629* 659.3629@4.569887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7924 7599 1 1 1 1 1 1 17379 17638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.3629 *659.3783* 659.3783@2.066287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6056 6464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.3783 *659.4063* 659.4063@1.0395997 1 1 1 1 1 1 1 1 1 9864 14043 14024 1 8866 1 9340 6583 1 1 1 1 8239 1 1 1 9653 1 1 21993 21207 1 1 1 1 1 3093 1 1 1 7481 11009 11063 1 1 1 1 13565 1 16480 16588 14987 13952 1 1 9865 1 1 1 18302 1 11038 1 1 1 1 1 1 15668 1 1 1 1 8880 1 11848 1 1 1 1 1 9971 1 12092 11681 1 13381 1 1 1 1 659.4063 *660.292* 660.292@1.103183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12601 12315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.292 *660.3469* 660.3469@3.6071196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14481 15640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.3469 *660.3508* 660.3508@3.2651641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3769 8736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.3508 *660.3971* 660.3971@1.1404438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8443 8821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4012 3733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.3971 *660.4151* 660.4151@1.0399451 1 1 1 1 1 1 1 1 1 32116 46265 43403 1 26594 1 32800 19013 1 1 1 1 28632 1 1 1 28018 1 1 57271 53727 1 1 1 1 1 9344 1 1 1 19146 28652 28494 1 1 1 1 38895 1 46111 47633 37435 40079 1 1 29020 1 1 1 55317 1 24396 1 1 1 1 1 1 38399 1 1 1 1 26571 1 30839 1 1 1 1 1 32512 1 35825 30167 1 35091 1 1 1 1 660.4151 *660.4289* 660.4289@1.0745765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2888 1 1 1 1 3064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.4289 *660.4525* 660.4525@1.0967879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.4525 *660.6138* 660.6138@3.688154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 660.6138 *661.3177* 661.3177@1.0220926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2759 1 1 661.3177 *661.3945* 661.3945@2.0389054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21413 19469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4588 1 1 1 1 1 1 1 1 1 1 36452 29264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 661.3945 *661.3963* 661.3963@1.978314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 661.3963 *661.4175* 661.4175@1.0397004 1 1 3034 2824 6500 7202 1 1 12244 1 1 1 1 1 1 1 1 1 5312 5428 1 1 6540 6414 1 1 1 1 1 1 1 5660 6513 1 1 1 11578 1 3602 1 1 1 1 1 10782 1 1 1 1 1 1 1 1 1 1 1 18939 18565 1 10340 1 1 1 2532 1 7485 8046 1 1 9526 3986 4028 1 5078 1 1 1 1 7560 1 1 1 1 1 6833 1 1 7628 1 1 661.4175 *661.4823* 661.4823@3.6662836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6442 1 1 1 1 1 661.4823 *661.6433* 661.6433@3.6581647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 661.6433 *662.156* 662.156@1.1142282 1 1 1 3608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.156 *662.3499* 662.3499@0.86487615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8311 8252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.3499 *662.3645* 662.3645@4.4409285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9298 10061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.3645 *662.3879* 662.3879@1.1536529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22401 22374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.3879 *662.4172* 662.4172@1.0951924 1 1 6420 6426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9323 7472 1 1 1 1 9332 11461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4172 *662.4235* 662.4235@1.041661 1 1 1 1 13181 12858 1 1 3884 1 1 1 1 1 1 1 1 1 11825 10318 1 1 10526 10467 1 1 1 1 1 1 1 7206 9849 1 1 1 22959 1 12010 1 1 1 1 1 18752 1 1 1 1 1 1 1 1 1 1 1 24053 23010 1 15806 1 1 1 1 1 11046 12018 1 1 17411 1 1 1 8942 1 1 1 1 13782 1 1 1 1 1 12029 1 1 14793 1 1 662.4235 *662.4394* 662.4394@1.0922685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4388 5054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4394 *662.4557* 662.4557@1.0894884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3569 1 3757 4990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4557 *662.4647* 662.4647@1.0887775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4647 *663.4262* 663.4262@1.0429668 1 1 1 1 1 1 3275 3367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4689 2658 5515 4891 1 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 7007 6955 6628 1 1 2533 1 1 1 1 1 1 1 1 1 1 1 1 1 4961 1 1 3494 2940 1 1 1 1 1 2465 1 7497 7449 1 2551 1 1 1 5077 1 1 1 1 1 1 663.4262 *664.1866* C30 H42 Cl2 O10 S 22709 22858 79198 77438 9284 9421 11319 10789 13023 13067 20600 21038 32160 32853 12922 12646 13265 13223 27591 26941 21499 20864 27727 28179 12298 10951 28913 28963 18049 18466 10570 11318 22308 22869 18967 17994 10430 11091 11926 11632 14330 15673 19113 18649 24268 23629 18012 18354 26614 26990 11004 10926 19142 19616 15112 14550 12581 12082 30375 30196 18166 18252 20824 21870 15236 14722 21772 20960 19696 20325 69921 71067 30598 30077 43367 44327 23130 23267 22092 23271 42025 41491 39686 37492 9168 8962 9145 9760 41640 42366 664.1866 *664.198* 664.198@0.86565375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29101 28707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14678 23700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.198 *664.2359* 664.2359@2.294305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.2359 *664.3754* 664.3754@1.0882273 1 1 1 1 1 1 1 1 1 1 1 8264 1 1 1 1 1 1 1 1 1 1 3697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.3754 *664.4137* 664.4137@1.0494797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4137 *664.4316* 664.4316@1.0428147 1 1 1 1 1 1 3805 4570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4854 4473 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 3743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 1 1 1 1 1 1 1 1 1 1 4813 1 1 1 1 1 1 1 1 1 1 664.4316 *664.4691* 664.4691@1.0935962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8738 9007 1 1 7540 5322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4691 *664.4769* 664.4769@1.0897789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4769 *666.1741* 666.1741@3.6657228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7097 7415 1 1 1 1 666.1741 *666.2107* 666.2107@0.89240515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.2107 *666.3054* 666.3054@1.1973236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6451 6220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.3054 *666.355* 666.355@1.0915482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2501 2778 1 1 666.355 *666.3744* 666.3744@1.0497539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.3744 *666.3865* 666.3865@1.085636 1 1 1 1 1 1 1 1 1 1 8033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.3865 *666.3978* 666.3978@1.0428641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11992 1 1 1 1 15325 15962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.3978 *666.4167* 666.4167@1.187486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.4167 *666.4821* 666.4821@1.0977407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7741 1 1 1 1 7927 1 1 1 1 4627 4831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.4821 *667.0239* 667.0239@1.0577523 10069 16629 3301 6996 7045 7329 1 5338 5406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.0239 *667.024* 667.024@1.0014398 4071 1 1 7793 7620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.024 *667.1896* 667.1896@1.0404114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.1896 *667.2132* 667.2132@0.8981996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.2132 *668.3691* 668.3691@1.0505921 1 1 1 1 1 7822 1 1 1 1 1 7008 1 1 21133 22248 1 1 30009 1 1 1 1 1 8544 1 1 1 14355 1 1 1 1 1 16281 1 1 1 1 1 1 10469 1 1 1 1 32143 31752 1 1 1 1 1 1 1 1 1 1 1 1 17896 1 1 1 1 30757 19407 18348 42460 14885 1 32071 1 1 16885 1 1 1 1 9502 27489 26631 8912 1 1 1 1 1 1 1 668.3691 *668.3696* 668.3696@1.0491407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8789 1 1 1 1 1 1 1 1 1 1 1 1 8819 1 1 1 1 1 34694 1 17057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9722 1 1 1 1 1 1 668.3696 *668.3798* 668.3798@1.051598 1 1 1 1 1 1 1 1 1 1 1 1 11940 1 1 1 17965 1 1 1 1 1 1 1 1 1 10197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13661 1 1 1 1 1 1 1 11309 11550 12838 1 1 1 1 1 1 1 1 22028 1 1 1 1 1 1 1 1 1 1 1 1 1 11519 1 1 1 1 1 1 1 1 1 1 1 1 668.3798 *668.4009* 668.4009@1.0857288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4885 5131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.4009 *668.5062* 668.5062@1.0926138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4694 1 1 1 1 1 1 1 1 1 1 1 4526 4373 1 1 1 1 1 1 1 1 1 1 8900 7182 1 1 1 1 1 1 1 1 5513 4619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.5062 *668.5106* 668.5106@1.0987357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.5106 *668.5194* 668.5194@1.0996255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.5194 *669.2699* 669.2699@5.482652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.2699 *670.2965* 670.2965@1.0852805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3209 1 1 1 1 1 1 1 1 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16744 17632 1 1 1 1 1 3479 1 1 1 1 1 1 1 1 1 1 3683 1 1 1 5693 1851 1 1 670.2965 *670.3062* 670.3062@0.9969522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4208 4614 1 1 1 1 1 1 1 1 1 1 670.3062 *670.3096* 670.3096@1.0768772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7203 7107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6707 6624 1 1 1 4722 1 1 9492 10161 1 1 670.3096 *670.324* 670.324@1.0787425 1 1 1 1 4026 4559 1 1 6772 6918 1 1 1 1 4314 4689 1 1 1 1 5425 4514 1 1 3771 4948 2470 3682 5405 5759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1 1 1943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4731 3367 1 2001 1 1 1 1 1 1 1 1 1 1 3325 3038 1 1 1740 2468 670.324 *670.3365* 670.3365@0.85357714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5512 5014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.3365 *670.3581* 670.3581@1.0632168 1 1 1 6843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.3581 *670.3705* 670.3705@1.0527401 8048 8869 5594 1 32427 1 8617 9321 1 4024 1 1 1 1 1 1 1 5686 1 1 1 4859 8854 7578 1 1 1 1 1 1 1 1 1 1 1 67141 1 1 26202 1 1 1 21052 1 1 1 1 1 34472 1 1 1 1 1 1 1 1 1 1 1 1 150893 49256 1 1 1 1 1 1 1 8470 1 6482 1 1 1 41670 1 1 1 1 1 1 1 11575 1 4159 1 28400 28163 670.3705 *670.3793* 670.3793@1.0524148 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 1 1 5613 1 1 1 1 1 1 1 21875 24072 1 1 1 1 1 7385 1 1 8558 1 1 19957 1 1 1 1 1 1 1 1 1 1 1 1 67815 1 41328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.3793 *670.4017* 670.4017@1.0854619 1 1 1 1 1 1 1 1 1 1 1 12664 1 1 1 1 1 1 1 1 1 1 1 5930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.4017 *670.4047* 670.4047@1.085636 1 1 1 1 1 1 1 1 1 1 10189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.4047 *670.4128* 670.4128@1.0915482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 2273 1 1 670.4128 *671.3865* 671.3865@1.0462059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3341 1 1 1 1 3522 3256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 671.3865 *671.9049* 671.9049@5.483639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 671.9049 *672.241* C39 H36 N4 O5 S 1 5870 9368 1 4800 5087 1 2768 5472 5187 10435 9545 6921 6769 4522 3753 3372 4151 9618 8048 1 6143 11366 11527 3375 4579 7740 7727 9550 8618 4808 5160 12241 12411 3594 1 4366 4697 1 4322 4714 4977 3529 3194 7760 7882 4040 4355 6333 6163 4093 3620 3864 1 3976 3975 5296 1 7928 8151 4519 1 1 1891 5727 5876 4125 4092 4455 4054 7954 7970 5372 4530 1 6889 1 5620 6515 7156 8498 1 8561 8559 3942 1 4065 3932 7728 7715 672.241 *672.271* 672.271@1.1418704 1753 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 672.271 *672.2732* C30 H41 Cl N10 O4 S 12544 11372 1 1 9986 10466 3746 5542 18666 17966 9909 9926 1 5557 13703 13660 10668 9769 19675 19015 14149 14081 15283 17783 9134 10809 13114 12719 14231 13411 5634 6455 4904 5703 5426 1 1 1 5802 4934 12232 12176 1 1 1 1 1 1 6083 6624 9881 10324 10279 8937 9603 9718 8053 8691 4664 1 5443 4969 1 1 1 1 3321 3834 1 3423 8635 8065 7401 1925 1 1 1 1 11782 9798 5041 5317 8201 7211 8151 10162 26121 23619 8409 7127 672.2732 *672.2806* 672.2806@1.0859567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 672.2806 *672.3903* C28 H48 N16 O2 S 180971 182427 161930 161301 1 278758 214364 215475 1 210410 100355 296994 273036 271229 1 1 1 183366 1 1 1 18531 254129 251529 239194 1 340029 1 489349 488428 1 1 297108 293391 1 1 369601 26424 5713 1 30937 325163 1 1 134120 130521 1 1 1 432696 255451 246921 309849 308816 229113 1 1 215937 1 130049 331831 1 1 1 1 1 448608 441007 1 451727 199355 1 21688 239743 300050 310113 1 151440 305936 328277 1 1 272835 265280 253571 249825 14222 1 1 1 672.3903 *672.3904* 672.3904@1.0872878 1 1 1 1 1 1 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 672.3904 *673.0774* 673.0774@0.7905329 1 1 1 1 1 1 2354 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.0774 *673.1511* 673.1511@1.0993769 1 4328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5809 6214 1 1 4429 4483 1 1 1 1 1 1 1 1 1 1 1 1 1 3420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5214 5508 9188 9789 1 1 1 1 673.1511 *673.3943* 673.3943@1.0525924 1 1 1 1 1 1 1 1 6134 1 1 1 1 1 5922 5803 4918 1 7998 8523 5808 1 1 1 1 7638 1 8140 1 1 1 1 1 1 3390 1 1 1 1 1 1 1 1 1 1 1 7546 7534 1 1 1 1 1 1 1 9010 1 1 1 1 1 1 1 5127 7734 7430 1 1 10030 1 1 7155 1 1 1 1 1 1 1 1 6269 6428 1 1 1 1 1 1 1 1 673.3943 *673.8507* 673.8507@1.1120263 1733 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19211 19337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14940 13419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.8507 *673.8633* 673.8633@5.5147634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1 1 1 1 1 1201 1 1271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.8633 *674.3792* 674.3792@1.2014332 2142 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.3792 *674.4038* 674.4038@1.1978104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 2375 1 1 674.4038 *674.4052* 674.4052@1.0526694 1 1 1 1 254518 1 5041 7387 222032 4666 1 1 1 1 227614 227254 175437 1 278610 276618 200176 173734 1 1 1 241580 1 309682 1 1 132205 40491 1 1 66639 1 1 394002 117067 1 89025 1 96951 93734 1 1 324304 329835 442951 1 1 1 1 1 1 195426 765846 1 430838 6164 1 1 1 104807 270338 295806 1 1 456061 1 1 171562 70791 1 1 1 511911 1 1 1 204109 215997 1 1 1 1 177857 179491 182028 168988 674.4052 *674.4085* 674.4085@1.0904949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.4085 *675.205* 675.205@0.953573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4573 4853 1 1 1 1 5577 5669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8125 10487 3126 3190 3523 1 1 1 1 1 1 1 675.205 *675.4072* 675.4072@1.0516858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31752 10542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.4072 *675.7058* 675.7058@0.954616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2934 3349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4829 5288 1 1 1 1 1 1 1 1 1 1 675.7058 *675.8481* 675.8481@1.1126065 2901 4696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.8481 *676.4207* 676.4207@1.0469536 1 1 1 1 1 1 1 1 1 1 230831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103524 1 1 1 1 1 1 1 72798 215113 1 1 1 300113 293788 1 1 1 1 1 1 1 1 1 1 1 579820 1 327355 1 193754 75231 1 1 1 1 1 1 1 1 1 147230 1 1 1 1 398442 1 1 1 1 1 1 1 1 1 1 1 1 676.4207 *676.4224* 676.4224@1.085016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 676.4224 *676.4578* 676.4578@1.1047422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 676.4578 *676.7172* 676.7172@1.0486262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 1 1 1 1 1 1 1 1 1 1 1 676.7172 *677.419* 677.419@1.0714421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 7903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.419 *678.113* 678.113@1.9752094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3479 3165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.113 *678.2251* 678.2251@0.97470677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2722 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.2251 *678.4223* 678.4223@1.0661014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.4223 *678.4776* 678.4776@1.1050943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.4776 *678.6122* 678.6122@1.974011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.6122 *678.724* 678.724@1.0421759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.724 *679.2925* 679.2925@2.1625767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4575 5154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.2925 *679.4257* C22 H53 N19 O4 S 14711 12749 8404 8917 20119 19582 18589 18572 1 21436 1 32237 20201 19809 1 1 1 17350 20752 21251 1 17226 19728 21171 22269 1 25579 25001 43703 44128 1 1 20003 19272 4988 1 36644 1 8556 1 1 26565 6994 6881 1 1 1 1 1 38523 17214 17169 19700 20171 19242 18402 1 1 1 1 19421 1 1 9672 22833 1 33559 32621 1 40287 14077 14392 19780 19386 17585 18609 1 1 30777 31748 19576 1 22639 21476 13669 14318 1 1 1 17699 679.4257 *680.2291* 680.2291@1.857447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14347 15264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7151 1 1 1 1 1 1 1 1 1 1 6228 7611 1 1 1 1 1 1 680.2291 *680.2297* 680.2297@1.9742371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5415 6202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7696 6585 1 1 1 1 1 1 680.2297 *680.2297* 680.2297@2.0436845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4794 5591 1 1 15647 18055 1 1 1 7120 4999 4858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10547 9976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6015 1 1 1 1 1 1 1 1 1 1 1 1 8835 1 1 1 1 1 5042 1 1 4993 4945 10374 9119 1 1 4639 4253 1 6405 680.2297 *680.3848* 680.3848@1.1646235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.3848 *680.4781* 680.4781@1.0887775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.4781 *680.4995* 680.4995@1.1007309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.4995 *681.1545* 681.1545@0.9495369 1 1 1 1 1 1 4541 4345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.1545 *681.9946* 681.9946@1.1530414 1 1 1 1 1 1 20004 19980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.9946 *682.1496* 682.1496@3.6622243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294616 299974 1 1 1 1 682.1496 *682.3013* C23 H38 N16 O9 303232 298304 230250 229390 284351 279841 386296 382669 472605 466860 315111 319532 238244 241653 358910 356911 265070 263110 522342 524219 390454 393886 456635 453988 323573 324302 306151 306430 397333 398218 136454 135272 149440 148161 122229 125715 82839 83948 93981 93308 310480 307961 99780 100022 123129 123185 115295 118176 185174 185768 306461 303810 239718 239890 205944 204880 218531 220469 125954 122926 165293 165400 151558 152063 86076 84800 158722 153219 95927 98394 262617 267106 208499 206477 148721 147677 112251 111369 314573 324372 131696 130146 291594 288499 253916 254724 593442 594736 261748 264759 682.3013 *682.3038* 682.3038@1.0878088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3004 3554 1 1 1 1 1 5095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 682.3038 *682.6078* 682.6078@1.0148592 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.6078 *683.1376* 683.1376@1.1044979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 4805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.1376 *683.3049* 683.3049@1.0808687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.3049 *684.3133* 684.3133@1.0562285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 1 1 1 684.3133 *684.3494* 684.3494@2.9579415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.3494 *684.3509* 684.3509@2.8993614 1 1 1 1 1 1 1 1 33360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13220 8416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10923 10541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.3509 *684.3599* 684.3599@1.0571307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13162 1 1 1 1 1 1 1 1 1 1 1 1 1 7584 1 1 1 1 1 1 1 1 1 684.3599 *684.3729* 684.3729@1.0511703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.3729 *684.4511* 684.4511@0.6899311 6765 7041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3294 3466 4839 5066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4852 4084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.4511 *685.1524* 685.1524@1.106647 13635 13008 1 1 1 1 1 1 1 1 4127 4581 1 1 1 1 1 1 1 1 8966 9556 15426 16443 1 1867 1 1 1 1 1 1 10409 12228 3897 4165 9781 10583 1 1 1 1 1 1 1 1 1 1 1 1 20202 19744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11329 11658 8898 14643 1 1 1 1 685.1524 *685.5679* C33 H71 N11 O4 13323 13056 3750 3575 3785 3392 7763 7614 15134 15584 24734 24719 5502 5554 1 1 1 2274 4532 4753 10108 10146 22156 22882 10155 9210 8473 8105 9031 8930 1 1 21698 22201 6550 6644 21240 22210 6089 5273 17734 19143 14163 14263 4035 4098 3974 4391 5264 5662 27778 28506 16056 15167 7851 8369 30297 32170 4965 5469 4262 4144 4231 4767 14772 14879 4953 5047 13449 13905 21251 21072 4641 5067 1 1 7117 7570 37494 38615 28142 26728 29059 29229 13944 14302 2705 2404 10315 11013 685.5679 *685.9305* 685.9305@0.8569851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7971 8018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.9305 *686.0703* C21 H18 N8 O19 5363 4926 1 1 1 1 2939 2675 5988 6133 10059 9395 1925 1920 1 1 1 1 1 2110 4449 4337 8612 8629 3744 3967 3079 3146 3590 3568 1 1 8440 8489 2535 2182 8941 8840 1893 1617 6952 7239 6329 6033 1 1 1 1 1955 1731 11689 11832 5663 5965 3313 2804 11686 12861 1730 1 1 1 1658 1985 5791 5446 2162 1853 5758 5601 8989 9011 1649 1770 1 1 2744 2962 14944 15425 9936 11274 11531 11281 6370 5229 1 1 4464 4239 686.0703 *686.1707* 686.1707@1.0314925 1 1 7219 6840 1 1 1 1 1 1 1 1 4203 1 1 1 1 1 1 4850 1 1 1 1 1 1 1 1 1 1 1 1 1 3006 1 1 1 1 1 1 1 1 1 1 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6159 5935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5417 4940 686.1707 *686.1876* 686.1876@0.9609489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1 686.1876 *686.3497* 686.3497@1.0454319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 686.3497 *686.3734* 686.3734@1.0569509 1 1 12223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6934 12532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11479 1 686.3734 *686.3847* C39 H59 Cl N2 O4 S 1 12109 1 1 12686 5623 16374 9310 1 6687 13466 9132 1 17874 1 12812 9379 1 1 1 11352 1 1 1 1 12668 22743 1 10830 16711 9633 6212 1 10476 1 1 15735 7703 1 7240 1 9837 1 1 14035 14492 13596 13909 1 24079 8343 14585 8472 8612 13268 8971 21889 5216 10530 9152 8663 16816 7267 10945 7723 13464 1 23024 1 28360 1 1 6857 1 10990 18171 1 22547 10768 1 1 1 14169 12848 17963 11699 1 1 1 11342 686.3847 *686.3967* 686.3967@1.0542881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15646 1 1 1 1 1 1 1 1 1 9838 1 1 1 686.3967 *686.5753* 686.5753@0.96017885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5683 5816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 686.5753 *687.0755* 687.0755@0.960179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2043 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.0755 *687.1028* 687.1028@0.82913464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.1028 *687.1523* 687.1523@1.104673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5004 5657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9892 9520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5716 1 1 1 1 1 687.1523 *688.3861* 688.3861@1.0569534 9026 1 1 1 1 1 1 1 1 1 1 1 6892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5935 1 1 1 1 10218 1 1 1 1 1 1 1 18232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26618 1 1 1 1 1 1 1 1 10592 1 1 1 1 1 1 1 1 1 1 688.3861 *688.3951* 688.3951@1.077078 1 1488 1 1 1 1 1 1 11174 1 1 1 1 1 1 1 1 1 1 1 1 1 10919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5203 1 1 1 1 1 1 1 1 7591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8674 1 1 688.3951 *689.3927* 689.3927@1.057138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.3927 *690.0735* 690.0735@1.1243598 1 1 1 4201 1 1 1 1 1 1 1 1 1 1 5512 2615 1 1 1 4235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8213 8684 1 1 1 1 1 1 5186 2323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6460 6911 1 1 690.0735 *690.2257* 690.2257@1.1794453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7211 6891 1 1 1 1 1 1 1 1 690.2257 *690.3991* 690.3991@1.0578307 1 1 17554 19477 1 17296 1 7970 1 4412 1 6778 23055 1 1 1 1 1 1 1 1 10720 1 6074 1 1 1 11643 18901 1 1 9897 1 1 1 5278 1 21502 1 1 1 7054 1 1 1 1 1 1 19698 1 10513 1 8255 8393 1 6026 1 23115 17028 1 22589 1 10264 1 11209 1 27755 1 20773 1 1 1 6153 1 5947 1 1 1 1 1 15220 4612 1 1 1 1 1 1 1 1 690.3991 *690.4088* 690.4088@1.0901928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.4088 *690.418* 690.418@1.1446443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9398 10167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.418 *691.408* 691.408@1.0546151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2822 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3964 1 1 1 1 2348 1 1 1 1 1 3600 1 1 1 1 1 1 1 1 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 691.408 *691.8848* C23 H11 Cl3 N10 S5 1 1 1 1 2134 1 2275 2038 2369 1 1 1 1 2201 2285 2607 1 2330 3139 3247 2355 1 2104 1 2932 2781 2328 2238 1 2143 1 2054 2334 1 1 2115 1 2179 1 1 2444 1 1 2075 1 2310 1 2389 1 2301 1 2544 1 2664 2300 2031 2287 2508 1 1 1947 1 2123 2179 2216 2669 2813 2521 2676 2806 3083 3018 1 2047 2214 2570 2364 2327 2271 2468 2675 1 2245 2366 2690 2146 2408 2863 1 2366 691.8848 *692.071* 692.071@1.1228261 1 1 1851 1 1 1 1 1 1 1 1 1 1 1 1 2403 1 1 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.071 *692.1592* 692.1592@2.8211536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752627 1 1 1 1 692.1592 *692.1608* 692.1608@2.713115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032694 1 1 1 1 692.1608 *692.4086* C28 H63 Cl3 N10 O3 10235 5906 1 1 12622 1 8206 7538 6753 6054 8147 7578 1 8481 16251 11322 5248 1 18762 13933 8966 1 8990 17369 6633 14167 1 1 1 15389 1 1 5565 4664 1 1 7405 1 1 1 1 18826 1 6637 14690 12695 15218 15204 1 1 1 5583 12770 13118 6495 10561 21443 1 1 1 1 17194 1 9149 1 7668 1 8441 1 1 1 14909 10379 10978 18441 19831 15389 1 9000 6572 1 9482 5994 8531 1 1 1 1 11189 12377 692.4086 *692.4181* 692.4181@1.0704695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6244 1 1 692.4181 *692.9787* 692.9787@2.0895782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9787 *692.9801* 692.9801@0.69061387 1 1 1 1 1 1 5950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 2307 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1 2630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7958 692.9801 *692.9811* 692.9811@1.3392513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 1 1 4963 1 1 1 1 1 1 1 1 1 1 1 692.9811 *692.9824* 692.9824@2.6799855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3866 1 1 1 1 1 692.9824 *692.9827* 692.9827@0.79406595 1 1 1 1 1 1 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9827 *692.983* 692.983@2.8291287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5451 4747 1 1 1 1 692.983 *692.9849* 692.9849@0.9990503 1 1 1 1 1 1 5651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3083 1 1 1 1 1 1 1 1 1 1 4563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9849 *693.0376* 693.0376@0.84255457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7339 4514 1 1 693.0376 *693.0549* 693.0549@0.8425343 1 1 1 1 1 1 34913 33844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 693.0549 *693.4145* 693.4145@1.0516243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 693.4145 *693.4779* 693.4779@2.7161162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8344 1 1 1 1 693.4779 *693.6325* 693.6325@2.7161162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3614 1 1 1 1 693.6325 *693.7014* 693.7014@2.7170663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 4222 1 1 1 1 693.7014 *693.7766* 693.7766@2.700002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1 1 1 693.7766 *693.9728* 693.9728@2.7221186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4836 1 1 1 1 693.9728 *694.4026* 694.4026@1.1994983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.4026 *694.4199* 694.4199@1.074358 1 1 1 1 1 1 1 1 1 1 26833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5495 1 1 1 1 1 694.4199 *694.4287* 694.4287@1.0680981 1 8956 9857 11357 1 1 10940 12674 8178 7350 1 8693 1 10636 1 1 9983 8674 1 1 1 1 23103 1 5458 1 8188 8101 9029 1 1 1 6427 6326 1 1 6028 1 1 1 5165 1 1 1 1 1 1 1 1 8527 10876 6453 1 1 1 1 1 13651 8094 8936 1 1 1 1 1 1 1 8421 4136 11577 1 1 1 1 1 1 1 7702 1 1 1 1 6001 1 1 1 6931 10470 1 1 694.4287 *694.453* 694.453@1.0902668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.453 *695.3538* 695.3538@2.0685692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42245 36257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24907 14477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.3538 *696.3742* 696.3742@1.1358182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6326 6349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4446 3915 3776 4307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.3742 *696.4177* 696.4177@1.0531747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.4177 *696.4261* 696.4261@1.084961 1 1 1 1 1 1 1 1 1 1 1 20942 1 1 1 1 1 1 1 1 1 1 1 17090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.4261 *696.4392* 696.4392@1.0693698 2116 1 1 1 1 1 1 1 1 1 1 1 4784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4884 1 1 1 1 1 1 1 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.4392 *696.4463* 696.4463@1.0764122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9572 1 1 1 696.4463 *696.5588* 696.5588@1.0849588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3766 1 1 696.5588 *697.3667* 697.3667@2.050861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13881 31950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.3667 *698.2134* 698.2134@1.1172853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4399 4707 1 1 1 1 1 1 1 1 1 1 4836 4435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6364 6633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 698.2134 *698.3807* 698.3807@1.039641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8950 6814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 698.3807 *698.3958* 698.3958@1.0474571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4437 1 1 1 1 1 1 1 3699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5895 8574 1 1 1 1 1 1 1 1 1 1 1 1 698.3958 *699.2931* 699.2931@0.9927815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4682 4593 1 1 1 1 1 1 2112 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3504 4127 1 1 1 1 1 1 2856 3058 1 1 3002 2827 2758 1 3041 4357 1 1 699.2931 *699.4386* 699.4386@1.0850618 1 1 1 1 1 1 1 1 1 1 3402 1 1 1 1 1 1 1 1 1 1 1 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.4386 *699.5173* 699.5173@4.4885154 1 1 1 1 1 1 1 1 1 1 1 1 6271 5281 1 1 1 1 1 1 1 1 1 1 7839 7491 1 1 1 1 1 1 1 4238 1 1 1 1 4852 1 4984 5039 1 1 5243 5250 1 1 1 1 1 1 4744 4501 1 1 1 1 4611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8527 8069 1 1 8992 8572 1 1 1 1 699.5173 *699.5829* C34 H73 N11 O4 15537 15651 17513 16643 19297 18011 6111 5561 44060 44560 56831 57103 5798 6064 10951 12893 16153 16169 14626 14414 31778 28885 51943 52083 14983 14368 43102 43217 28547 29281 5971 6034 103232 105861 9003 9776 80219 79698 20605 19920 76752 78949 23089 23541 38753 38821 31098 29713 13195 12535 63985 62443 41815 42255 74473 69995 60359 61538 27868 26785 24545 26250 21897 21573 11686 11204 29959 30306 39884 41421 70900 69480 29404 28187 7174 7626 18052 19125 140384 142685 61992 61349 89672 88665 55072 56796 6711 7024 47801 46283 699.5829 *700.0845* C22 H20 N8 O19 6409 6109 8011 7706 8109 7452 1 1 17740 17864 24302 22014 1 1 5286 5113 6324 6649 5527 6110 11964 12401 22579 21878 5808 6298 17321 19185 10489 11439 3519 2619 44329 44960 4072 4099 33628 33505 8996 7794 31760 32288 9755 9984 15140 15686 12051 10058 5873 5158 25467 27608 16943 16566 29267 30210 24772 27018 10636 10660 8624 10615 7654 9269 5238 3639 13623 11200 16389 17801 29406 30051 12770 11822 1 2577 7226 6780 59457 60828 25935 27240 38714 37724 23972 22994 1 2579 20586 19338 700.0845 *700.3447* 700.3447@3.4443111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8120 9506 8307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8141 10627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4646 8439 8626 1 15245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.3447 *700.3449* 700.3449@3.4178731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.3449 *700.3461* 700.3461@3.8332136 1 1 1 1 1 1 1 1 8303 8459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.3461 *700.4782* 700.4782@1.1680462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3886 3817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.4782 *700.5871* 700.5871@0.87989676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.5871 *701.1428* 701.1428@1.6189022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4971 5657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.1428 *701.379* 701.379@1.9496586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2949 3953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.379 *701.7207* 701.7207@5.5547166 1 2324 1 1 2288 2222 1 1 1 1 2659 2573 1 1 1 1875 1 2022 1 2176 1 1 1 1 1 2304 1 1 2218 1 2072 1 2087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2150 1 2350 2418 1 1 1 1 1 1 2545 2501 1 1 2071 1 1 1 2319 1 1 1 2195 2158 2110 1 1 1 1 1 701.7207 *702.3825* 702.3825@1.0759897 1 1 14411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.3825 *702.4078* 702.4078@1.0430114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.4078 *702.4279* 702.4279@1.0471615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.4279 *704.1452* 704.1452@0.8262627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.1452 *704.4234* 704.4234@1.0430114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.4234 *705.2455* 705.2455@1.1057451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 705.2455 *706.4138* 706.4138@1.1871878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8776 9166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.4138 *706.996* 706.996@1.0612348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4915 1 1 1 8779 1 1 4704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3815 1 1 1 1 1 3358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4914 1 1 1 1 1 1 1 706.996 *707.5798* C38 H69 N13 1 1 1 1 1 1 1 1 1 1569 1785 1814 1 1 1 1 1 1 1 1 1990 1605 2958 3074 1 1 1 1916 1 1 1 1 4448 4375 1 1 4441 4721 1 1 3510 3990 1982 1452 1 1584 1 1 1 1 1656 1649 1514 1759 1850 1883 1 1 1 1 1 1 1 1 1 1 1 1 1745 1 1285 1405 1 1 1 1 1 1 3778 3772 1827 1686 3777 4261 1 2399 1 1 1953 2134 707.5798 *708.0835* 708.0835@0.9535029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1778 1855 1 1 1687 1611 1 1 1443 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1685 1 1 1617 1623 1 1 1 1 1 1 708.0835 *709.1842* 709.1842@0.8609427 3555 3384 1 1 1 1 7325 6870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7118 7496 1 1 1 1 1 1 1 1 1 1 4651 4881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6342 6690 1 1 1 1 1 1 1 1 709.1842 *712.0916* 712.0916@2.0713778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14070 20285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 712.0916 *712.4526* 712.4526@1.1670454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7011 7130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 712.4526 *713.0962* 713.0962@2.059339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.0962 *714.1393* 714.1393@2.837133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41418 44295 1 1 1 1 714.1393 *714.1395* 714.1395@2.70856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73166 70699 1 1 1 1 714.1395 *715.5116* C36 H70 Cl N7 O5 1 1 4977 5171 1 1 7292 7032 5103 1 4988 4879 5401 5337 5261 4889 11214 10568 1 1 4595 5315 7635 8191 9057 8338 4604 4635 1 1 5788 5752 6135 6090 1 1 1 1 8065 7916 7943 7897 5586 6162 1 1 1 1 11076 9788 4691 4794 5126 4888 1 1 5025 5398 1 1 4106 1 1 1 8195 5460 6197 6257 1 1 4781 1 1 1 4565 4266 6604 5981 4903 5373 8302 8505 4514 4658 10032 10352 10754 11080 5327 5618 715.5116 *716.2203* 716.2203@1.0496088 1 1 1 1 1 1 1 1 1 1 1 1 1 5926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 716.2203 *716.221* C21 H34 Cl2 N20 O3 S 211389 211057 255205 258783 185595 185767 371377 366969 288891 289161 225066 225141 209442 202278 254661 248911 163863 164268 369179 373192 334008 334750 345727 351740 260182 259347 386760 390735 296195 297620 102014 109829 101191 99830 77505 77629 66776 69763 75220 75778 206163 206144 82236 84637 98627 100853 106624 106984 178678 177340 272399 268452 253242 254534 187295 189773 177476 178339 102575 103255 141589 139950 170089 172443 80666 78600 199791 200005 106459 106818 353304 354489 188897 186100 145531 147256 97321 97704 299511 310532 132912 131961 312116 315854 279806 280301 700289 705834 216452 213397 716.221 *717.527* 717.527@4.536094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.527 *717.6929* 717.6929@5.560609 2273 2202 1 1 1 1 1 1 1 1 2328 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1739 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.6929 *718.4381* 718.4381@1.0265408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 718.4381 *718.4431* 718.4431@1.0255309 1 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 718.4431 *718.4929* 718.4929@1.164543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5600 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 718.4929 *718.5223* 718.5223@6.155385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3523 3421 1 1 1 1 3115 1 1 1 1 1 1 1 1 1 1 2887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 7665 6926 1 1 718.5223 *719.5292* 719.5292@1.9741402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1 1 1 1 1 1 1 1 1 1 1 719.5292 *720.0973* 720.0973@2.0489004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10541 10353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.0973 *720.5101* 720.5101@1.1634614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.5101 *720.5151* 720.5151@0.67744225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 3113 1 1 1 1 1 1 720.5151 *720.539* C39 H76 O11 6434 6313 8487 8596 11011 11711 14031 13921 7051 7439 5959 6830 15940 15859 8792 13392 6443 6597 9627 9746 17133 16673 10918 10685 7464 7394 7417 7790 8445 8663 17250 18373 16335 16421 5467 5784 5297 5108 18066 18810 6473 6566 7988 7543 8947 8495 12026 11462 16224 16847 16428 17049 13364 13355 5980 6372 8046 7925 15422 14896 4703 4314 3231 1 4447 4065 4279 4409 9143 9129 5678 5482 3807 4025 5399 5328 6058 6304 4632 5190 12733 12764 6397 6881 18915 18314 26774 26818 5808 6096 720.539 *721.5004* 721.5004@4.429345 1 1 1 1 1 1 1 1 1 1 1 1 1 15851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10069 10109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7052 7209 1 1 1 1 4314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.5004 *721.542* 721.542@6.1371336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.542 *723.5162* C39 H81 N O2 S4 11432 10812 12153 9527 10196 10899 16379 16226 9519 9567 20614 20883 21176 1 12514 12356 8745 8176 17274 17492 14175 14487 10987 10608 45993 46198 15667 15242 21467 1 11898 11917 15856 10765 8247 10316 9277 9283 20306 28011 14556 14396 14582 14192 27710 29634 18454 18758 16934 23071 22224 22003 20501 14447 8652 8627 14917 20901 30197 23978 12777 17358 13302 17300 27174 24942 15723 16606 14221 14504 7832 8220 14185 14093 10891 11278 18113 23844 11681 12777 34749 34092 20125 16212 26171 25990 13161 13162 15761 20124 723.5162 *724.5205* 724.5205@4.42924 1 1 1 1 1 1 1 1 1 1 1 1 1 6584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6958 5058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 724.5205 *724.5932* 724.5932@1.074585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 2987 1 1 724.5932 *725.1662* C26 H19 N19 O8 5032 5025 1 1 3720 4075 1 1 1 1 4552 4628 1 1 1 1 1 1 7422 7347 5837 6329 1 1 1 1 3856 3903 1 1 1 1 1 1 1 1 4704 4792 1 3804 1 1 5117 5256 3626 4102 1 1 1 1 1 1 1 1 5611 5274 4907 4753 5144 5225 1 1 1 1 1 1 1 1 1 1 9233 8877 1 1 1 1 4703 4770 3433 1 5801 6009 5181 1 6007 6262 4416 4148 1 1 725.1662 *725.5304* C37 H77 Cl2 N5 O4 1 1 1 1 7232 1 12462 13410 1 1 11205 10918 18787 19165 10835 10297 10539 10837 1 1 1 1 7095 7385 25684 26064 10218 10586 11524 1 9431 1 1 10464 1 1 1 1 14275 1 16356 16864 1 1 15024 14715 10910 9891 8019 1 8261 9065 1 14281 1 1 11356 1 1 16026 1 1 8218 1 9708 11552 1 1 13760 14586 1 1 8911 1 1 1 9396 1 1 1 24202 23280 1 9794 22504 21758 10006 9525 9342 1 725.5304 *725.8774* C21 H10 O23 S3 19625 19220 19368 19525 22426 21268 23301 22834 22038 22235 18293 17914 20799 20702 22899 22426 22134 21774 27204 28300 21553 21288 20852 20892 26844 25895 21252 20975 19395 20100 19345 19386 20645 21031 21439 20056 19637 21064 20599 21257 21581 22870 18272 18540 21380 21151 20336 19857 21534 21177 22054 22356 23702 23171 20146 19697 21239 21417 20656 20603 18935 18530 20813 20557 20850 22099 24443 23961 23319 23065 27349 27641 18575 18986 19579 20354 19300 20216 20687 20404 21970 21841 21083 21392 22359 21888 25270 24584 19461 19295 725.8774 *726.3416* 726.3416@1.199652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.3416 *726.5024* 726.5024@1.193971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.5024 *727.1287* 727.1287@1.1118299 1 1 1 1 1 1 1 1 1 1 6956 7633 1 1 1 1 1 1 1 1 1 1 7625 7960 1 1 1 1 1 1 1 1 5894 6662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5125 4869 1 1 1 1 727.1287 *727.5463* 727.5463@4.4590635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5602 1 1 1 1 1 1 5774 1 1 1 1 1 1 1 1 1 1 1 1 5635 1 1 1 1 4846 6116 1 1 1 1 3133 1 1 1 1 1 1 1 1 1 1 1 1 1 4476 1 1 1 1 1 1 1 1 1 1 1 1 727.5463 *729.1405* 729.1405@0.82076424 1 1 3508 3755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 3739 3552 1 1 1 1 1 1 4206 4437 1 1 1 1 4950 5120 1 1 1 1 1 1 1 1 5561 5150 1 1 1 2441 1 1 6847 6154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3827 1 1 7122 7211 1 1 1 1 1 1 729.1405 *733.3835* 733.3835@1.9581757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16525 17591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.3835 *734.4456* 734.4456@1.1801798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3388 3177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 734.4456 *734.553* C38 H74 N10 S2 1 1 1 1 4251 3957 4888 4613 2817 1 1 1 5225 5211 4225 4360 1 1 1 3452 5455 5611 3780 3725 1 1 1 3194 3899 3627 5152 5427 5889 5264 1 1 1 1 5870 5767 1 1 1 1 2987 1 4077 4190 7151 6790 6180 5907 6024 5597 1 1 1 1 4687 4771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4492 4614 1 1 6258 5955 9242 9712 1 1 734.553 *734.9855* 734.9855@0.71467566 1 1 1 1 1 1 1 1 1 1 2657 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2362 2272 1 1 1 1 1 1 1 1 1 1 1 1 734.9855 *735.9263* 735.9263@0.8398433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.9263 *736.2704* 736.2704@1.2021737 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.2704 *736.3273* 736.3273@0.8865126 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10484 1 1 1 1 1 1 1 1 1 736.3273 *736.3517* 736.3517@1.0232253 1 1 1 1 1 1 1 1 7722 7519 1 6473 1 5923 1 1 1 1 1 1 1 1 9793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7639 7851 6465 1 1 1 1 1 1 1 1 1 1 1 1 1 7539 7195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5394 1 1 736.3517 *736.3674* 736.3674@1.0333495 1 6223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.3674 *736.4474* 736.4474@1.1810582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4666 4549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.4474 *737.5312* 737.5312@4.4099636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4879 4626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 737.5312 *738.1438* 738.1438@3.662724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10982 10858 1 1 1 1 738.1438 *738.3068* 738.3068@0.84556484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6316 6013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 738.3068 *738.3419* C32 H64 Cl2 N2 O8 S2 7946 7289 1 1 1 1 8815 8984 1 1 1 1 1 1 1 1 1 1 14690 14925 35720 1 30353 22476 25440 25949 33425 33977 45101 86449 1 1 50497 81761 6190 3635 28762 29467 1 14537 25082 25140 67790 69073 18366 18735 1 1 5225 5330 80126 79634 29248 12100 41374 15615 95279 95374 49166 48269 7236 9678 16741 17990 26858 26799 1 1 20854 21392 148494 150097 5060 1 7708 7489 14494 14138 106124 54682 1 4485 208248 213010 63084 64327 1 1 30058 30219 738.3419 *738.3601* 738.3601@2.9970531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8289 10125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 738.3601 *739.5114* C39 H74 Cl N7 S2 6644 6702 9542 8859 4935 7060 12069 11756 9742 9578 7608 8027 8721 13790 8044 7734 9595 9443 9313 9857 12773 9879 10726 17482 13403 13347 9243 12288 4990 5096 10804 11115 7631 7656 6516 6056 1 4309 16412 15283 8249 8765 10598 10342 4742 5134 11846 8379 16662 23677 9632 9663 4847 4661 6821 4616 9399 9360 6112 8676 7320 6851 1 1 10294 10056 10238 10407 4705 4462 6993 7121 4860 4661 8576 8424 12638 12415 8620 11635 12576 20591 6767 7349 12149 11570 18554 17884 10200 17110 739.5114 *740.1128* 740.1128@3.67116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10055 1 1 1 1 740.1128 *740.3583* 740.3583@0.94194067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 1 1 1 1 1 740.3583 *740.3952* 740.3952@1.1662761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.3952 *740.3993* 740.3993@1.1656545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 1 2753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.3993 *740.4438* 740.4438@2.102511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28972 21069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12510 12724 1 1 1 1 1 1 1 1 1 1 5338 12778 1 1 1 1 1 1 1 1 1 1 740.4438 *740.4442* 740.4442@2.1365602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.4442 *740.6832* 740.6832@0.9071845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.6832 *741.3609* 741.3609@0.90667313 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27992 1 1 16436 1 1 1 1 16302 1 1 1 11683 1 3321 3279 15770 15469 1 1 18885 18898 1 1 1 1 1 1 3601 1 1 1 1 6961 1 9711 1 1 1 1 1 1 1 1 28359 27365 1 1 1 1 1 1 1 1 1 1 11695 11996 1 22106 1 1 1 1 1 1 1 1 1 1 741.3609 *741.5254* GPEtn(18:0/18:3(9Z,12Z,15Z))[U] 1 7737 11296 9422 1 1 10924 10843 12489 9942 12485 12953 13115 1 6075 13268 24094 24399 15359 16157 1 1 6467 1 21592 20841 10070 1 1 1 13665 13674 4978 5180 9964 9449 1 1 15909 15594 21993 21852 4413 13644 6939 1 1 9748 27078 1 12302 9270 4909 15117 1 1 15605 15909 1 1 21970 8471 1 1 14572 13920 20640 20934 1 1 13024 12706 8485 3537 13609 14601 12871 13395 1 1 18544 1 14434 5033 29096 12481 23339 23170 16439 1 741.5254 *742.1246* 742.1246@1.9696981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 1 1 1 1 742.1246 *742.1283* 742.1283@1.6446425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3285 1 1 1 1 1 1 4173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4061 1 1 1 1 1 742.1283 *742.5296* 742.5296@4.5168476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 742.5296 *743.543* C39 H77 N5 O4 S2 4010 1 1 1 1 3498 14395 14475 1 1 1 1 1 8181 7146 1 1 1 1 1 5799 5861 7761 12220 1 1 1 6084 4163 1 1 1 6446 10052 1 1 4176 5974 1 1 1 1 8806 1 1 4110 6394 1 1 17112 1 1 10414 1 4049 4027 1 1 3974 3879 1 13351 1 1 1 1 1 1 3475 3641 1 1 1 4874 1 1 1 1 4216 6622 1 11621 1 10065 1 16404 1 1 1 6132 743.543 *744.1992* 744.1992@1.1195437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3518 8239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3316 3514 1 1 1 1 1 1 1 1 4292 4306 7986 7761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.1992 *744.5421* 744.5421@4.5159197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4060 4076 1 1 1 1 1 1 1 1 1 1 1 3700 744.5421 *746.5541* 746.5541@6.0990324 16685 16900 14797 14553 24581 24766 22534 21064 17533 17553 19382 19398 34678 35029 37508 86824 17616 17433 29706 30356 36483 35619 30473 30856 18378 18963 20172 19739 21498 22001 36064 36978 24785 24256 13702 13103 16811 17443 48641 47047 19737 20055 13934 14736 20924 20729 23842 24527 33054 31776 45167 44714 30845 31643 16966 17791 22716 22442 39650 40293 14536 14498 8553 8905 13951 14149 15146 14229 21684 20959 19028 18191 12318 13296 16613 16752 18952 19071 16168 16027 27610 27343 14983 15253 45241 44412 82354 84393 10175 9998 746.5541 *747.0701* 747.0701@0.75539726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4160 4432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3115 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.0701 *747.3983* 747.3983@1.9586768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54826 54528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.3983 *747.3991* 747.3991@2.1049628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10121 12604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.3991 *747.5162* 1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 28887 41211 23403 31086 35729 34366 39162 56084 4993 21451 14897 73531 73364 15270 29138 28035 5784 29310 47549 63034 43763 12580 34205 35116 18185 18385 8841 44361 70305 20678 46637 30219 9744 36173 25372 4930 30762 22218 56903 11144 34203 8736 37609 7900 26703 93212 14033 57709 42991 29813 12557 68103 33586 32845 31628 20586 51254 10015 71400 75446 24501 33994 29606 30036 68949 24969 50726 11066 40677 47788 52677 51427 7583 40145 21913 6907 55048 51057 33682 26014 80901 14423 40355 44080 85605 14881 9731 9801 42895 6599 747.5162 *748.1787* 748.1787@1.6243459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3753 3642 1 1 1 1 1 1 1 1 748.1787 *748.464* 748.464@1.1198378 1 1 1 1 1 1 1 1 1 1 4886 1 1 1 1 1 1 1 1 1 1 1 6660 7455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3652 2519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.464 *748.5693* 748.5693@6.129891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.5693 *748.5698* C41 H80 O11 20839 20565 28252 42266 31172 31361 31428 47365 27701 27714 24351 24339 52456 82120 34029 1 22601 15100 68595 45254 47917 47556 45874 44277 43269 43006 41131 40538 34357 34104 61841 97773 56010 35988 19087 19967 23823 36784 76574 76133 48305 30901 24770 37020 55409 37045 37657 59364 52708 81056 92585 60162 50356 51020 24104 24009 47166 30942 79740 51818 20708 21216 25227 25226 46121 30166 34598 22530 46245 47353 26604 41219 19844 30438 22474 22795 26298 40387 48332 33677 74101 48485 39155 25768 72494 69459 159725 159609 37931 37063 748.5698 *749.291* 749.291@1.110539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9933 7014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 749.291 *749.5308* 749.5308@4.390639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 749.5308 *749.5311* 749.5311@4.400834 1 1 1 1 1 1 1 1 15896 1 36809 1 1 35891 1 1 15306 1 1 1 1 20911 1 1 61000 61036 33384 1 1 31679 1 1 16234 1 1 8423 1 1 5237 29561 1 25413 1 19167 62399 1 30524 11618 1 1 31787 1 1 1 1 1 1 26379 6107 1 1 1 1 1 11081 42031 1 24440 1 1 1 1 6227 1 1 32039 1 5231 1 1 1 78957 2881 1 1 34983 44434 23884 1 43033 749.5311 *749.5727* C35 H75 N9 O8 11051 10718 15208 1 16683 16582 16707 1 15370 14584 12856 13289 28382 1 16811 1 1 7310 1 24304 25407 25084 25215 25574 1 1 22367 22692 18437 19263 34578 1 1 18714 10105 9809 12707 1 40638 40346 1 15874 12892 1 1 19709 20235 1 28275 1 1 31617 26361 27204 12963 12543 1 16567 1 27057 10883 10721 1 1 1 16492 1 11856 1 1 14724 1 10864 1 12477 11428 13523 1 1 17036 1 24688 1 13212 38214 37990 1 1 1 1 749.5727 *750.4393* 750.4393@1.1956965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 2599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.4393 *750.476* 750.476@1.083953 1 1 1 1 1 1 1 1 1 1 1 11986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.476 *750.5341* 750.5341@4.3905883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.5341 *751.5463* GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 4.396363 18361 1 8399 1 1 1 27111 1 15644 11301 35297 1 1 32991 11834 16288 12671 1 16331 1 1 15260 13298 14836 76970 68341 3110 1 1 27362 1 21867 12885 1 1 11879 1 13327 1 31942 23439 27481 1 18169 1 1 22682 1 1 19120 34971 1 21075 20907 1 12992 1 21962 1 1 14158 1 1 1 1 11982 1 25182 9236 1 1 1 1 1 15764 1 1 1 1 14158 1 1 1 1 1 36575 3504 23575 1 1 751.5463 *751.5467* 751.5467@4.439311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.5467 *752.2656* 752.2656@1.205782 5838 5508 1 1 1 1 1 1 1 1 9433 8753 1 1 1 1 1 1 2656 2720 1973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7992 7774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 4268 752.2656 *752.3235* 752.3235@0.92070943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3407 3805 1 1 4853 5115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6239 22766 1 1 1 1 1 1 1 1 1 1 1 1 1 10131 1 1 1 1 1 1 1 3388 1 1 1 1 1 1 1 1 1 1 752.3235 *752.3493* 752.3493@1.0362611 5509 1 5718 6658 1 1 1 5454 7120 6529 6220 6613 1 5554 1 1 1 1 1 1 1 1 9399 8478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5981 1 1 1 1 1 1 1 1 7477 6113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6749 7468 1 1 1 1 1 1 6711 6619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752.3493 *752.4831* 752.4831@1.084634 1 1 1 1 1 1 1 1 1 1 5270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752.4831 *752.5508* 752.5508@4.3969517 1 7355 1 4894 7919 7376 1 12096 1 5077 1 13836 14700 1 5123 1 1 4086 6642 9246 5660 1 1 1 1 1 8700 8699 10348 1 10394 1 1 6699 1 1 5577 1 14077 1 1 1 5682 1 1 1 1 1 8691 1 1 13008 1 1 5451 1 9074 1 15544 14234 1 5481 5495 6153 11298 7676 9418 1 11307 11313 6937 5114 1 7504 1 1 11939 12356 5529 1 18634 1 7168 7457 1 1 1 1 9092 1 752.5508 *753.5546* 753.5546@4.4193945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7622 1 1 1 1 1 1 1 1 753.5546 *754.3378* 754.3378@0.93026406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3474 4464 7523 5707 1 1 1 1 17137 12243 1 1 8619 12637 1 1 8824 11866 1 1 5577 4136 1 1 1 1 1 1 1 1 9262 4777 2697 1 1 1 9450 1 1 1 1 1 1 1 1 1 1 1 1 1 7890 1 1 1 1 1 1 1 15155 15572 4189 4299 14072 15649 5948 6069 1 1 1 1 754.3378 *754.4975* 754.4975@1.1741003 1 1 1 1 1 1 1 1 1 1 6202 1 1 1 1 1 1 1 1 1 1 1 4366 4810 2830 1 1 1 1 2976 1 1 2644 2866 1 1 1 1 1 1 1686 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6545 7678 8425 8524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3238 1 1 754.4975 *755.3014* 755.3014@1.109742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.3014 *755.3416* 755.3416@0.9271116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.3416 *755.5009* 755.5009@1.083953 1 1 1 1 1 1 1 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.5009 *756.3529* 756.3529@0.9576741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5810 6022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 756.3529 *757.2778* 757.2778@1.1063257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 757.2778 *758.3102* 758.3102@0.8724273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 8455 1 1 1 1 1 1 5177 5560 1 1 3400 3769 1 1 2798 1 1 1 1 1 5450 5945 1 1 1 1 1 1 3939 3596 1 1 1 1 10477 10510 1 1 1 1 1 1 1 1 1 1 2901 3062 7996 8481 1 1 1 1 1 1 4317 4331 1 1 6751 6600 1 1 1 1 1 1 758.3102 *759.8703* MERBROMIN 2477 2692 2714 2687 2493 2831 3616 2582 2945 2951 2498 2382 2947 2841 3170 3026 2977 2822 3580 3470 2768 3391 2580 2989 3303 3784 2654 2770 2859 2619 2825 2637 2969 2842 2751 2978 2764 2943 3020 3502 3090 2938 2695 2563 2741 2723 2934 2697 2854 2660 3056 3345 3296 3115 2632 2542 3021 2696 2687 2720 2916 2663 3023 2706 3013 2860 3344 3748 3542 3271 4007 3734 2560 2647 3057 2751 2792 2530 2901 2838 3312 3363 2775 2848 2745 2870 3599 3724 2651 2705 759.8703 *760.099* 760.099@0.8553577 1 1 1 1 1 1 1 1 1 1 1 1 1 4637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4485 5400 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5346 5221 1 1 760.099 *760.1103* 760.1103@0.8648753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 760.1103 *760.3228* 760.3228@0.8987502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4766 1 1 1 1 1 5376 1 4935 9377 1 1 1 1 1 1 6460 1 1 1 8737 9470 10043 10144 1 1 1 1 1 1 6965 1 1 1 6994 7328 8523 9277 1 1 1 1 1 1 1 8463 1 1 1 1 7276 7639 1 1 1 1 1 1 7475 3962 1 1 7341 19515 1 1 1 1 1 1 760.3228 *761.0862* 761.0862@0.75765187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16610 15986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.0862 *761.3064* 761.3064@1.1046381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4712 4423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.3064 *761.4136* 761.4136@2.1069684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13266 12774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.4136 *761.4149* 761.4149@1.9576747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53144 52197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.4149 *762.3388* 762.3388@0.90855265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5699 9696 4437 1 1 1 1 2908 3523 1 1 1 1 1 1 1 1 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2911 2338 1 1 1 1 1 1 1 1 32084 33729 3976 1 1 1 1 1 5412 5104 1 1 1 1 3134 3128 1 3861 1 1 8414 1 1 1 1 1 1 1 762.3388 *762.5861* 762.5861@6.061657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3803 3696 1 1 762.5861 *763.3155* 763.3155@1.1033195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 763.3155 *763.5118* GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 20515 19223 27526 26751 8984 8969 23065 23388 8016 20470 21853 22822 19660 16386 14253 14974 35521 19239 40291 42027 29401 26977 30908 30537 33029 33869 16576 17184 14393 15466 24584 25199 18097 18856 19127 18918 8962 11294 35315 35383 15754 15419 23923 13105 21577 21525 22422 22661 38978 37021 11841 24926 8127 9959 11702 11098 42751 12869 17035 9656 11700 11553 1 1 37159 40891 25627 25533 9265 10170 47009 46749 13324 11628 24698 25811 16950 17274 29149 29921 26941 30055 22272 23787 30496 15944 42735 42524 20543 20784 763.5118 *764.3557* 764.3557@0.86773527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5609 5590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7497 7404 1 1 1 1 1 1 1 1 1 1 4096 1 1 1 1 1 1 1 764.3557 *765.2824* 765.2824@1.5136948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5945 7596 1 1 1 1 1 1 1 1 5986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5541 1 1 1 1 1 1 765.2824 *765.3275* 765.3275@1.106096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4704 4607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.3275 *765.5259* 765.5259@4.4544783 1 1 1 1 1 1 1 1 31767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11111 1 1 1 1 1 1 12006 1 1 1 1 1 1 17055 1 8817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21583 53371 1 1 1 1 1 1 1 39852 1 1 1 1 765.5259 *766.3718* 766.3718@0.8914297 5773 1 1 1 1 1 1 1 1 1 3767 4126 1 1 1 1 1 1 1 1 3489 3798 14957 13040 1 1 9220 1 21038 18857 1 1 39750 17860 1 1 15292 16667 1 1 19585 6184 7690 8250 1 1 1 1 1 1 7744 19462 9466 13416 17625 20285 12929 13154 1 1 1 1 1 1 3146 1 1 1 6306 4424 42774 45391 1 1 1 1 7461 6952 10178 25407 6691 6918 13976 37743 23893 26822 1 1 10241 10069 766.3718 *766.3845* 766.3845@0.884894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10382 10381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 766.3845 *766.5293* 766.5293@4.4570475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3854 1 1 1 1 1 1 1 1 1 766.5293 *767.5407* 767.5407@4.4744506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.5407 *767.542* GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] 15295 14919 19040 19317 9144 9447 25282 24289 1 20448 19920 19818 19099 19430 14082 14154 1 14238 28307 25022 19849 19081 21601 24782 27172 28478 19717 19018 10593 10420 18331 18130 16831 16826 18427 18442 13173 13566 28213 29185 15991 16233 25977 16102 11664 12041 17919 17201 37044 35749 17222 28108 12245 12177 8874 10700 1 20832 13487 12856 15103 14728 4569 4564 20231 19296 26605 22117 10877 11356 1 1 13180 13219 24500 25277 31662 1 17329 17868 24664 27865 21359 21511 25424 1 45654 44037 24914 24527 767.542 *768.3189* 768.3189@0.9323495 1 1 1 1 1 1 1 1 1 1 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.3189 *768.3305* 768.3305@0.9345306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3415 2611 1 1 2720 2508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.3305 *768.3819* 768.3819@0.9016486 1 1 1 1 1 1 6953 6782 1 1 1 1 1 1 1 1 1 1 6854 6187 9082 5765 1 1 1 1 1 5770 1 1 1 1 1 21515 1 1 1 1 1 1 1 14061 9824 10476 4510 4614 1 1 1 1 12496 1 1 1 1 1 1 1 1 1 1 1 5433 5532 7824 8097 1 1 1 5412 1 1 1 1 1 1 1 1 13587 1 1 1 25014 1 1 1 1 1 1 1 768.3819 *768.388* 768.388@1.1800572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4077 4429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.388 *768.3988* 768.3988@0.90140915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14778 16052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.3988 *768.4772* 768.4772@1.1997225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2630 2756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.4772 *768.545* 768.545@4.451045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9601 1 1 1 1 1 1 9883 1 1 1 1 1 7383 1 1 1 1 1 1 1 1 1 1 1 1 1 6180 6702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.545 *769.3896* 769.3896@0.9034137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.3896 *770.3959* 770.3959@0.91743356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 770.3959 *771.3908* 771.3908@0.9160653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.3908 *772.5688* 772.5688@6.034174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8496 8123 1 1 772.5688 *773.5309* 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine 13751 1 10643 11295 10412 9901 14964 12108 1 1 14709 22146 16903 20763 11745 1 1 1 29758 24322 14022 16270 17934 17374 11355 31727 9052 1 27124 30354 14069 16837 16468 5091 1 1 9182 8095 16447 20377 12581 12802 1 7964 29528 25320 21857 20958 4474 8716 21459 20706 15093 14238 1 10525 20336 18983 27852 18148 1 1 1 1 37167 35651 17859 18551 1 14140 22266 21030 11882 11160 10623 11833 15921 15375 18051 19264 15212 22029 5440 12008 24431 15739 21227 19857 7547 11035 773.5309 *774.2005* 774.2005@0.8510026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10864 9710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 774.2005 *774.5658* 774.5658@1.0904409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5944 1 1 1 1 1 1 1 1 1 1 1 1 1 774.5658 *774.585* 774.585@6.042823 13487 14043 9235 9183 13082 13091 12938 11990 13747 12896 14819 14713 19398 18081 11538 11224 7659 7949 15865 15737 23215 21164 26059 25565 10615 9972 17883 16458 11127 11204 27440 29089 12097 12572 8136 7989 8264 7746 31014 28378 12836 12957 11211 10704 10463 11667 16228 17826 33485 30096 38601 33928 16076 18110 9966 8864 18197 17815 17172 18115 9290 9374 8159 7691 9457 8944 8708 8357 15305 15306 11379 12523 7406 7454 15713 16896 10401 16230 10843 11515 20941 20611 14401 14011 17289 17643 80551 80557 4313 7507 774.585 *774.6276* 774.6276@1.0876844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 2681 1 1 1 1 4242 4055 1 1 774.6276 *775.1008* 775.1008@0.75762254 1 1 1 1 1 1 6996 7140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3511 3435 6452 6164 1 1 4577 4738 1 1 24639 24566 1 1 2525 1 2168 1990 1 1 1 1 1 1 10423 10812 2650 1887 3992 3890 1 1 1 1 1 1 1 1 1 1 4126 4084 1 1 1 1 1 1 1 1 1 1 2440 2508 6334 6616 1 1 1 1 1 1 1 1 775.1008 *775.3008* 775.3008@1.1127495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.3008 *775.3122* 775.3122@1.111336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.3122 *775.4301* 775.4301@1.9576747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31040 26063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.4301 *775.5323* GPEtn(16:0/18:2(9Z,12Z)) 1 1 18584 4566 5357 1 20797 20736 1 1 1 1 7699 8103 21168 6555 24852 25100 15699 1 35822 35916 6304 5902 5966 6015 21392 22110 15225 15348 8550 8367 8401 28612 1 1 19505 19547 9539 8805 20038 19917 1 1 13987 1 5876 6515 5090 26112 6145 6073 20947 21581 14052 13994 11248 1 5880 6215 1 9918 1 1 1 1 1 13810 17421 16780 1 1 1 1 1 1 1 1 1 1 5168 5445 9096 9139 33061 30969 10764 10451 11029 11525 775.5323 *775.5465* 775.5465@4.3759403 1 7003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15688 1 1 6549 1 1 1 1 1 7739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7666 1 1 1 1 1 1 1 1 1 1 1 1 1 8304 1 1 1 1 1 1 1 775.5465 *776.55* 776.55@4.378479 1 1 1 1 1 1 1 1 1 1 6437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7342 1 1 1 1 8027 1 1 1 1 776.55 *776.5538* 776.5538@1.096794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8638 9180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 776.5538 *776.5617* 776.5617@1.1007309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 776.5617 *776.5979* 776.5979@6.039585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5282 1 1 1 1 1 1 1 9397 9475 1 1 3369 1 776.5979 *776.6817* 776.6817@4.6556654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 3173 1 3148 1 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3462 3640 1 1 4130 3951 3703 3413 3632 3866 1 1 4414 4792 3357 3635 1 3283 1 1 776.6817 *777.3092* 777.3092@1.1124164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9919 1 1 1 1 1 1 1 1 1 1 6022 8957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.3092 *777.548* GPEtnNMe(16:0/18:1(9Z)) 10277 12018 1 11437 12883 22714 1 1 8643 6571 6143 5807 15109 15688 1 14086 1 1 1 8847 1 1 29246 15538 10363 10159 1 1 1 1 49696 51125 19624 1 6135 10906 1 1 36950 25265 1 1 25557 25983 1 13093 11642 17338 10879 1 13084 18908 1 1 1 1 1 6950 11207 11342 7880 1 1 1 24678 26869 8612 1 1 1 9999 18269 1 1 7484 7871 5638 5539 14628 17379 15290 14990 1 1 1 1 24989 24273 1 1 777.548 *777.6024* 777.6024@6.0374165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3295 1 1 1 1 1 1 1 1 1 3670 1 4138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8958 8625 1 1 777.6024 *778.5508* 778.5508@5.170867 1 1 1 1 10033 1 1 1 1 1 1 1 13061 13625 1 1 1 1 1 1 1 1 1 13488 7732 7186 1 1 1 1 1 1 1 1 1 1 1 1 1 23054 1 1 1 1 1 1 10204 1 9774 1 12603 1 1 1 1 1 1 1 10858 10262 1 1 1 1 1 1 1 1 1 1 9242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23991 23408 1 1 778.5508 *779.3164* 779.3164@1.1148858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.3164 *779.56* 779.56@5.176515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11368 1 1 1 1 1 1 1 1 5243 1 1 1 7458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5484 5442 1 1 1 1 1 1 1 1 779.56 *781.3304* 781.3304@1.1092478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 781.3304 *782.331* 782.331@1.110334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 782.331 *782.3357* 782.3357@0.8898632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5559 5084 1 1 1 1 1 1 1 1 9323 7805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 782.3357 *782.3653* 782.3653@0.9190369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1 1 1 1 1 1 1 1 1 782.3653 *782.5629* 782.5629@1.1968942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 2846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 782.5629 *783.1716* 783.1716@0.8566119 1 1 1 1 1 1 1 1 1 1 1 1 7591 7598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5852 6319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7245 6490 1 1 783.1716 *783.3347* 783.3347@1.1058849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.3347 *784.358* 784.358@0.9056445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7405 1 1 1 1 1 1 1 1 8866 14353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.358 *784.427* 784.427@1.1950607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.427 *784.471* 784.471@2.4332526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9371 5326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.471 *784.509* 784.509@1.0891571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3990 1 1 1 784.509 *784.5328* 784.5328@1.0911101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.5328 *784.5807* 784.5807@1.1990739 3273 1 1 1 1 1 3428 3158 1 2758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8570 1 2627 1 2279 1 1 1 1 1 1 1 1 1 1 1 784.5807 *785.3572* 785.3572@0.9009544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5800 5540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 785.3572 *785.4156* 785.4156@0.91459227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8126 7916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 785.4156 *786.5263* 786.5263@1.089948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5181 1 1 786.5263 *786.5376* 786.5376@1.0914463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 786.5376 *787.3239* 787.3239@1.1045258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5349 7314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.3239 *787.5678* 787.5678@5.064685 1 1 1 1 4181 4463 5410 5191 1 1 7168 7707 7242 7071 5327 5553 5292 5397 4742 4701 4758 4674 4900 5302 8412 8226 5351 5259 6840 6621 10398 11377 4889 4881 1 1 1 1 9509 9106 7467 7887 1 1 6284 6837 5902 5825 5291 4937 5383 5570 5654 5787 6230 6208 6518 6546 7693 7713 1 1 4433 4448 5041 4832 1 1 7369 7527 5636 5648 3299 1 1 1 3985 3593 3814 4098 7278 7081 1 1 12402 12197 7515 8440 3983 4191 787.5678 *788.5401* 788.5401@1.0881593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 788.5401 *789.1178* 789.1178@0.76014584 3228 2907 5224 5045 9737 10069 35785 38130 1 1 3485 3363 4751 4772 1 1 4260 4459 9180 9384 7464 6882 2994 3142 1 1 14317 14600 19528 19034 11216 12445 21410 21368 10246 10325 19886 20160 1 1 4880 4732 11038 12001 9610 9356 1 1 3248 3054 50452 49057 3475 2254 15660 15206 5920 6056 1 1 1 1 3185 3237 4089 4441 24047 23050 1 1 4002 4025 1 1 3833 3299 5322 5219 14438 13999 13499 11915 1443 1 12999 13201 2195 1 23620 23397 789.1178 *789.5257* 789.5257@4.4316554 1 1 8328 8631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5786 19962 1 1 1 1 1 1 1 1 1 1 6814 1 1 1 1 1 1 1 12122 12341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8994 6368 1 1 1 1 1 1 4153 1 1 1 1 1 15444 1 1 1 10376 1 12171 12827 1 1 1 1 1 1 1 10456 1 16197 1 1 789.5257 *789.5564* 789.5564@5.1490245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6165 1 1 4791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9506 13120 1 1 789.5564 *789.567* 789.567@5.1402144 1 1 1 9710 10555 11037 13231 14303 1 1 10679 10547 13829 13449 12387 11766 8877 10040 1 1 6668 11360 1 7843 9203 9483 11311 10474 10734 9881 16209 15557 14064 8497 1 1 1 1 12662 15451 13118 13404 1 1 12563 11951 12996 12964 11795 10747 1 5910 11514 3052 9952 10339 9204 1 13259 12186 1 1 1 1 1 1 1 1 9702 9838 8663 1 1 1 1 1 1 1 5621 10677 11735 11912 1 1 17685 16760 1 1 9193 8587 789.567 *790.542* 790.542@1.0915482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6831 4990 1 1 790.542 *790.5546* 790.5546@1.0931143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 790.5546 *791.5393* GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 4.432728 6404 5281 1 1 1 1 1 1 1 1 4017 7571 1 3460 1 1 1 1 14599 1 5573 8551 6143 11967 8320 8887 1 1 5215 1 1 1 6532 6023 5534 3548 1 1 1 1 1 1 6676 9232 4686 4760 4530 8082 10230 6792 6395 6768 1 1 1 1 1 1 1 1 1 1 1 1 13354 7498 8869 5021 1 1 1 9592 1 1 1 6125 1 1 6627 6939 8112 5446 5295 9757 6239 1 6523 1 1 1 791.5393 *791.5827* 791.5827@5.134246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 1 1 1 1 1 6636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6417 5584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6879 1 1 1 1 1 1 1 5195 1597 1 1 791.5827 *792.5442* 792.5442@4.4332905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4173 1 5456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5536 1 1 1 1 1 1 1 1 1 1 1 1 4432 4766 1 1 1 1 1 1 7489 1 1 1 792.5442 *793.8647* 793.8647@5.483044 13048 13965 13351 13677 14095 14507 15749 15473 15063 15000 12842 12885 14810 13469 14949 14943 14375 14826 19247 18474 14942 14749 14166 15024 18611 17657 14248 14467 13482 14145 12789 13143 14112 14215 13597 13180 13486 14619 13327 13708 14969 14700 12077 12477 14281 13745 13875 13923 14729 14819 15297 15429 16062 14954 12725 13445 14183 14410 13769 13494 12550 12807 14266 13959 14739 15223 16541 16551 16134 15597 17836 17711 11979 12607 12562 12960 12919 13599 13750 13026 14451 15332 13420 14334 15266 15293 17378 16485 12473 12891 793.8647 *794.3529* 794.3529@1.161734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708 3782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 794.3529 *794.379* 794.379@0.8941721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 794.379 *794.5293* 794.5293@1.19407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6320 6064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 794.5293 *796.3855* 796.3855@0.8985586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10712 10592 16578 16717 1 1 1 1 10251 1 1 1 1 1 1 1 1 1 1 1 1 1 5507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6845 796.3855 *796.3888* 796.3888@0.89598405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7115 7170 1 7664 1 1 1 7405 1 1 9110 9653 1 1 6081 1 1 5426 1 1 1 1 1 1 13318 13568 10703 10445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8848 8813 1 1 1 1 1 1 6346 6774 1 1 4405 9190 6137 1 1 1 1 1 796.3888 *796.4274* 796.4274@0.89760613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.4274 *796.4798* 796.4798@1.0589753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3850 4592 1 1 1 1 1 1 1 1 1 1 4334 4427 1 1 1 1 1 1 1 1 1 1 1 1 796.4798 *797.272* 797.272@1.5255269 1 1 1 1 1 1 1 1 1 1 8741 8634 1 1 1 1 1 1 8783 9089 1 1 7400 7600 1 1 1 1 10313 10338 1 1 10437 10384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11079 10796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6382 9160 7265 8003 1 1 1 1 1 1 797.272 *798.0983* 798.0983@1.528713 1 1 1 1 1 1 1 1 1 1 1 1 8356 9310 8932 9180 8217 7667 1 1 1 6839 1 1 8684 9691 5783 1 1 1 8683 9776 1 1 7151 9539 1 1 1 1 1 1 12636 9068 3857 1 9820 9537 1 4545 1 1 10071 9424 1 8456 1 1 1 1 9527 8701 11009 10198 1 1 1 1 1 1 1 1 1 1 8588 8828 1 1 1 1 1 1 1 1 1 1 1 8574 1 1 798.0983 *798.3954* 798.3954@0.9020783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8962 1 1 1 1 1 1 1 1 4319 4995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5308 5767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 798.3954 *798.5596* 798.5596@1.2009017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4008 4270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12342 13646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 798.5596 *798.5871* 798.5871@1.0816004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 798.5871 *800.379* 800.379@0.9751803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.379 *800.5127* 800.5127@1.0929415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6271 1 1 800.5127 *800.5601* 800.5601@1.0971227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.5601 *801.5456* 801.5456@5.143277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.5456 *801.548* GPGro(17:0/20:4(5Z,8Z,11Z,14Z)) 14493 14097 14340 14467 16993 16136 18108 17274 10764 10690 14446 14357 26641 26920 19739 18800 25549 26035 17430 17698 25918 26324 27267 27818 22518 23086 17852 18096 18273 17987 26619 27828 20422 21045 15328 15186 17570 17268 33394 33028 23101 23451 15196 15292 14812 14729 19321 19256 19080 17954 27813 27449 22203 22417 15943 15118 21272 22124 25604 25205 12717 12577 5330 5524 14586 10091 15996 16128 16837 17374 17708 17210 11367 11106 16835 16258 13537 13811 13245 13910 18772 18426 11763 11801 33415 32883 44037 44412 13268 12800 801.548 *802.036* 802.036@1.40634 1 1 1 1 1 1 4577 4824 6143 5982 1 1 5762 5382 1 1 1 1 1 1 4635 1 1 1 1 1 1 1 1 1 5940 5689 1 1 5885 6035 1 1 1 1 4568 5259 6614 5934 1 1 6881 7143 1 1 1 1 7120 6651 1 1 1 1 1 1 1 1 5288 5134 1 1 1 4652 6358 6488 5728 5422 5324 5094 6424 5427 1 1 1 1 1 1 1 1 1 1 1 1 1 5209 802.036 *802.5236* 802.5236@1.0921506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10676 1 1 1 802.5236 *802.5425* 802.5425@1.0893877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 802.5425 *802.615* 802.615@5.99445 1 1 1 1 1 1 1 1 1 1 4985 1 6358 6465 3675 5974 1 1 8776 8468 7608 4779 7891 7887 1 1 1 4911 1 1 7519 7560 1 1 1 1 1 1 9936 10838 1 1 1 1 1 1 6020 6480 11997 10707 11691 7809 7014 7550 1 1 7826 8033 4098 6133 1 1 1 1 1 1 1 1 7708 8282 4986 1 1 1 6075 6586 7209 6129 1 1 7844 7559 1 1 10993 10746 22822 25256 1 1 802.615 *803.1328* 803.1328@0.7617499 32489 33907 8397 8411 41996 42575 73788 75739 51395 50348 66801 67296 33611 33282 33516 31098 30738 30392 87203 89801 44308 45313 29162 30491 62680 62208 22895 23144 23558 23613 29251 29627 31887 32999 30462 31125 8752 9259 23427 23129 4598 4279 19852 20004 69309 68670 1 1 20478 20716 87761 86085 1 1 22571 22880 73756 72933 3639 3970 1 1 3642 2666 17889 17491 46587 45731 14353 14228 46205 45645 12259 12101 7180 6934 43215 43606 28940 30138 10296 10468 5039 4931 67060 67970 1 1 86983 84535 803.1328 *803.3174* 803.3174@1.1115417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14607 9578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.3174 *803.563* 803.563@5.2119904 1 1 1 1 1 1 1 1 1 1 1 1 6852 2281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6146 1 1 1 1 1 1 1 1 1 1 1 1 1 10314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.563 *803.5661* GPEtnNMe(18:1(9Z)/18:1(9Z))[U] 551787 553117 587123 589355 665234 629875 787378 770123 547331 549887 619013 616940 1012243 1023713 780059 770931 718433 722218 862594 872778 841277 840227 911811 901489 676967 679267 796366 791224 795305 798603 929649 943927 976394 981684 394496 392751 659557 665791 1138900 1132102 833247 828534 592316 585843 669998 758210 809758 807793 743586 741948 877958 873981 881123 879952 624059 620001 719741 723256 1002171 1008508 482032 480348 313567 328152 811788 807555 537306 533963 730748 734124 618694 615356 442714 445027 546376 549023 518443 517876 724283 749659 871411 876028 575446 581226 1153075 1149381 1439407 1433910 509488 507939 803.5661 *803.8946* 803.8946@5.1311293 1 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 3074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.8946 *803.9092* 803.9092@5.1298637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4513 1 1 3465 1 1 4616 1 4351 1 1 1 1 1 1 1 1 1 5872 1 1 1 1 1 4466 1 2981 1 1 4646 1 1 2631 3903 1 1 1 1 1 1 1 1 1 5270 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3149 1 1 1 1 1 8410 1 1 1 803.9092 *804.0192* 804.0192@5.1284614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2273 1 1 1 804.0192 *804.0475* 804.0475@5.141327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 804.0475 *804.0649* 804.0649@5.133314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 804.0649 *804.1372* 804.1372@5.119533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 804.1372 *804.2083* 804.2083@5.1263614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3804 1 1 1 1 804.2083 *804.2297* 804.2297@5.116537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 804.2297 *804.257* 804.257@5.128617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 804.257 *804.5458* 804.5458@1.0924737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 804.5458 *804.5677* 804.5677@5.1791525 1 1 1 1 1 1 1 1 1 1 1 6844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 804.5677 *804.6288* 804.6288@5.9904537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 804.6288 *804.8854* 804.8854@5.1348257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 804.8854 *804.9011* 804.9011@5.1276937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4411 1 1 1 1 1 1 1 1 804.9011 *804.9525* 804.9525@5.1301465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 804.9525 *805.0172* 805.0172@5.1242995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.0172 *805.0615* 805.0615@5.1283565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3393 1 1 1 1 805.0615 *805.2409* 805.2409@5.113367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 805.2409 *805.5781* 805.5781@5.1750474 1 1 1 1 1 41991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 1 1 1 1 1 1 1 1 2720 1 7613 86210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4546 1 1 1 1 805.5781 *805.9927* 805.9927@5.108381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 1 805.9927 *806.553* 806.553@1.1552963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3298 1 1 1 1 1 1 1 1 1 1 3538 3298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9845 1 1 806.553 *806.5574* 806.5574@1.0921123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.5574 *806.9885* 806.9885@10.432275 1 1 1 1 1 1 1 5034 1 1 1 1 1 1 1 1 1 1 3542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4275 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4911 1 1 1 1 1 6072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 1 1 1 1 1 806.9885 *806.9885* 806.9885@11.391037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4889 5371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3670 1 1 1 806.9885 *806.9889* 806.9889@1.344677 1 1 1 1 1 1 1 19807 11674 1 1 1 4543 8050 5660 1 1 1 9123 1 1 14594 1 1 1 1 1 1 1 1 17118 1 1 1 1 6111 1 5963 1 1 1 11933 1 1 1 15251 11514 1 29937 9618 1 1 12031 1 1 7982 1 1 1 1 1 1 1 1 1 1 1 1 1 13267 14234 1 5440 1 1 1 1 1 1 19720 1 13566 1 1 1 1 1 1 21669 1 806.9889 *806.9891* 806.9891@1.8734359 1 1 1 1 1 11723 1 8390 7528 1 1 1 11112 9633 1 1 1 1 1 1 1 14027 1 1 1 1 1 1 1 1 1 1 1 1 1 10132 1 9686 1 1 1 1 1 1 1 11517 1 1 5825 10792 1 1 1 1 1 9364 1 1 7591 1 1 1 1 1 1 6048 1 1 1 1 11903 1 6925 1 1 1 1 1 1 1 1 7292 1 1 1 1 1 1 1 1 806.9891 *806.9891* 806.9891@1.0292419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9891 *806.9891* 806.9891@2.8366675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9891 *806.9892* 806.9892@0.71938324 1 1 1 1 13838 1 1 7403 1 1 1 1 7201 7882 27361 1 14208 24851 1 18552 1 8405 1 12611 1 42253 13325 14963 37460 1 33752 12082 20435 31012 1 1 1 1 1 1 1 13692 1 1 1 12965 1 40729 24900 15378 1 1 1 6795 31069 40312 1 11192 7339 1 1 1 1 1 11732 1 1 1 18690 1 13267 1 1 1 29863 9049 1 1 8729 1 35028 10000 1 1 41217 1 24484 1 1 55491 806.9892 *806.9893* 806.9893@2.9463787 1 1 1 1 1 1 1 16715 1 1 1 1 1 1 5509 1 1 1 1 8540 1 6596 1 10750 1 1 1 1 1 5304 24698 1 1 13990 1 1 1 13265 19406 1 1 1 1 1 1 1 1 1 1 12239 11056 27234 9466 14377 7233 1 1 1 1 1 1 1 15317 15401 14762 1 4903 1 1 1 1 1 1 1 1 1 1 1 1 13249 1 1 1 35734 21609 1 1 1 1 9195 806.9893 *806.9893* 806.9893@3.4622664 1 1 1 1 4543 4892 1 1 1 1 1 1 1 1 1 1 1 6543 7026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8178 1 1 1 5826 1 1 1 14086 1 10566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12472 1 1 1 1 1 1 1 1 1 20810 1 1 1 806.9893 *806.9894* 806.9894@2.8163304 1 1 1 1 1 1 1 12648 1 1 18902 8061 1 1 18558 1 8497 11934 1 1 1 1 1 10638 1 5809 1 1 1 1 1 1 16167 19578 1 1 17409 5919 1 1 1 1 11873 1 1 11731 29256 5526 1 1 1 1 21186 8525 15378 1 1 1 1 1 1 9951 25471 1 1 1 7437 1 1 1 14010 1 1 1 1 1 1 1 1 5672 16011 1 1 1 12437 1 1 1 1 1 806.9894 *806.9894* 806.9894@1.6179996 1 1 1 1 1 1 1 1 1 1 1 1 1 7036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18971 1 12821 1 1 1 1 1 1 1 5872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9894 *806.9894* 806.9894@4.117828 1 1 5014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9894 *806.9895* 806.9895@0.9799431 1 1 1 1 1 23935 1 15221 41664 1 1 1 7789 12907 12342 1 1 39316 10292 1 1 6227 1 1 1 1 1 51726 1 1 1 1 1 9848 1 6869 1 7711 1 1 1 1 1 1 1 44077 1 1 24778 3941 39121 1 20516 37495 21636 14395 1 1 21192 1 1 1 1 1 1 1 12000 1 1 30701 52448 1 1 1 1 12173 16276 1 1 1 1 25009 1 1 1 29683 1 1 8702 1 806.9895 *806.9895* 806.9895@5.1239076 1 1 1 1 1 1 1 1 1 1 1 10282 1 1 1 13637 1 1 23324 1 1 1 1 1 1 1 1 17985 7259 11484 1 25219 1 23675 1 1 1 1 15278 19012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17643 1 26619 1 1 1 1 1 806.9895 *806.9895* 806.9895@1.15744 1 1 1 1 1 1 1 1 6697 1 1 1 1 1 1 1 1 1 8544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15625 1 1 1 1 1 1 1 1 1 1 1 1 1 9898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11015 1 1 1 1 1 1 1 1 806.9895 *806.9896* 806.9896@1.1228153 26834 1 1 1 1 1 1 25547 26595 19828 1 1 8047 16905 14678 1 1 1 7682 13671 1 25074 13730 1 1 13352 1 1 1 1 1 1 1 13962 16325 19505 1 15332 1 1 1 1 1 1 1 14177 1 37135 9850 30798 1 1 1 10234 1 11367 1 1 1 1 34428 1 1 30218 1 1 34300 1 17035 17328 14164 1 14412 1 1 1 1 1 1 1 20333 10203 1 1 1 1 1 1 21654 1 806.9896 *806.9896* 806.9896@1.4260893 1 1 1 1 1 1 1 1 11243 1 1 1 1 15787 1 1 1 1 5612 1 1 1 1 1 1 1 1 1 1 1 16332 1 1 1 1 15731 1 1 1 1 1 1 1 1 1 9831 1 1 1 7179 1 1 1 1 1 6101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9896 *806.9897* 806.9897@3.0942492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7412 1 1 1 1 1 1 12068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11340 1 1 1 1 1 1 1 1 1 1 1 1 1 8287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9897 *806.9897* 806.9897@0.71688586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9897 *806.9898* 806.9898@7.9477377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6173 1 1 1 1 1 1 1 1 1 4180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9898 *806.9899* 806.9899@2.0714025 1 1 1 1 1 12970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19942 1 1 1 1 1 1 1 1 1 1 9936 8626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6106 1 806.9899 *806.9899* 806.9899@2.0100684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9899 *806.9899* 806.9899@9.709641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9899 *806.9901* 806.9901@2.3424597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13717 1 1 1 1 1 1 1 1 1 1 1 1 4737 1 1 4559 1 1 1 1 1 8914 1 1 1 10577 1 1 1 1 1 1 1 1 1 1 1 5991 1 806.9901 *806.9903* 806.9903@6.4392285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6123 1 1 1 1 1 1 1 1 1 1 1 1 806.9903 *807.5473* 807.5473@1.0921506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 807.5473 *807.563* 807.563@1.0914463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.563 *808.0387* 808.0387@0.7595067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 808.0387 *808.0644* 808.0644@0.7606558 3163 1 1 1 1 1 1 1 4980 4831 6778 6853 3491 1 1 2954 1 1 6149 5495 5559 1 1 1 4506 5351 1 1 1 1 3328 1 1 1 1 2790 1 1 1 1 1 1 1 1 4845 5298 1 1 1 1 4125 1 1 1 1 1 6047 5594 1 1 1 1 1 1 1 1 3334 1 1 1 3292 1 1 1 1 1 2893 2832 1 1 1 1 1 1 2272 3506 1 1 4806 5449 808.0644 *808.0712* 808.0712@0.7567812 1 1 1 1 1 1 2908 1 1 1 1 1 1 1 1 1 1 3352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 808.0712 *808.0731* 808.0731@0.7606258 1 3365 1 1 3390 4069 1 3033 1 1 1 1 1 3063 2372 1 1 1 1 1 1 5668 2133 2711 1 1 1 1 1 1 1 2983 1 1 2400 1 1 1 1 1 1 1 2544 2065 1 1 1 1 1 1 1 4456 1 1 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 2870 1 1 1 1 1 1 1 1 1 1 808.0731 *808.565* 808.565@1.0963106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 1 1 1 808.565 *809.3589* 809.3589@1.1059747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5997 4958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.3589 *810.6699* 810.6699@3.4517205 1 1 1 1 1 4285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.6699 *810.673* 810.673@3.4367867 1 1 1 1 8296 4423 1 1 13829 6139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7759 7373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.673 *811.1735* 811.1735@3.4316711 1 1 1 1 1 1 1 1 7502 6889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.1735 *811.3657* 811.3657@1.1053238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.3657 *811.567* 811.567@5.0581226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.567 *811.5686* GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) 9240 9051 22249 10418 9950 9842 11130 10715 6245 6751 16207 17020 15149 14389 10966 10060 7883 7232 10480 10056 11515 12764 10885 9552 29623 29465 12664 12636 18355 18846 18475 19203 8357 8027 5639 5359 7361 7187 16664 16530 8753 9130 9141 8539 11955 9689 13341 14017 10775 10452 18500 20376 24511 9977 8464 8217 11303 12017 19635 20233 8305 8436 7242 7633 12611 12486 10800 10791 12596 13016 9179 10019 7687 7408 6784 6547 11971 11226 11828 12862 15256 14498 6543 7299 15651 16140 18588 19390 24016 10747 811.5686 *812.4361* 812.4361@0.93243754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4877 4681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 812.4361 *812.5604* 812.5604@1.0941164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 812.5604 *813.0265* 813.0265@2.7826037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18718 17276 1 1 1 1 813.0265 *813.5824* 813.5824@5.0489774 10818 14162 1 12487 18061 12472 17241 20743 13872 10106 20795 21100 24429 25046 23610 21147 15664 13373 17330 15524 15832 16792 10718 13861 27963 28304 17726 14179 17974 18859 15768 14936 14607 14330 10113 9981 7488 10185 14901 19900 13993 14080 14569 11370 23338 18799 17870 17042 16782 11554 18257 20376 1 20026 10389 14438 16438 15673 29672 23021 10310 10774 7621 10170 16771 14988 13797 13407 12854 14483 13477 13010 12914 12665 6738 6464 14743 15322 20353 26416 22300 22068 12078 9331 23173 30990 17207 18754 1 16436 813.5824 *814.5852* 814.5852@1.0926883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 814.5852 *815.1105* 815.1105@3.6641626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8448 1 1 1 1 815.1105 *815.127* 815.127@0.7566743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8543 8801 1 1 1 1 1 1 1 1 1 1 1 1 5723 5233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.127 *815.35* 815.35@1.1017225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.35 *815.5763* 815.5763@5.0904293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 815.5763 *815.5909* 815.5909@5.088376 1 1 1 16880 1 1 7350 1 1 15334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6927 21121 25706 21653 1 1 1 1 1 1 7654 1 21810 18386 1 1 1 4682 1 1 1 1 1 1 20994 1 15377 1 1 1 1 7711 1 1 1 1 1 14747 1 1 16275 1 1 1 1 1 1 1 1 1 6600 1 1 1 1 1 4056 1 1 1 1 1 815.5909 *815.5947* 815.5947@5.0463047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2912 1 1 1 1 1 1 1 1 1 3749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.5947 *816.5546* 816.5546@6.0841417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4278 4250 1 1 816.5546 *816.5713* 816.5713@1.0901549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3786 1 1 1 816.5713 *816.601* 816.601@1.0919381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8524 7113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6567 1 1 1 1 1 1 1 1 1 1 7177 10210 1 1 1 1 1 1 1 1 1 1 1 1 816.601 *817.1475* 817.1475@0.7575572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4222 4412 1 3296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5267 4878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 817.1475 *817.3612* 817.3612@1.1033195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 817.3612 *817.582* 817.582@5.1050744 7115 8010 13134 1 10630 11242 16705 15907 10466 1 14405 13082 13172 4931 12535 13174 10786 10608 11544 13339 7126 12800 12526 11732 11004 11177 14092 14238 12909 1 1 1 15537 16985 7938 7653 9485 9220 14433 13792 1 1 10885 9852 11450 10795 14470 13656 17164 16579 13611 14563 1 14896 1 10673 12415 11479 13648 13716 8229 8502 5940 6778 12544 1 7530 8501 1 11237 11529 10659 7777 7926 10867 5830 11797 11150 13431 13686 11977 10728 9865 5994 13969 16897 21156 19853 9662 10142 817.582 *817.585* 817.585@5.0882835 1 1 1 1 1 1 1 1 1 1 1 1 1 2670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3004 1 1 1 1 1 817.585 *818.5871* 818.5871@5.104114 1 1 1 1 1 1 1 1 1 1 1 1 1 6736 1 1 1 1 1 1 5982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818.5871 *818.602* 818.602@1.0941164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818.602 *818.6162* 818.6162@1.0881982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818.6162 *819.1298* 819.1298@0.7670645 1 1 1 1 1 1 3782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.1298 *820.3156* 820.3156@0.94614506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5205 5345 4729 6262 1 1 1 1 1 4944 1 1 7945 7119 1 1 7023 7098 1 1 5671 5591 4340 4647 1 1 1 1 1 1 10477 9908 3619 4005 1 1 9752 10064 1 1 1 1 14610 4740 6001 5688 1 1 1 1 9574 9107 1 1 1 1 1 1 12911 14275 5286 5593 11635 12103 5517 5305 1 1 1 1 820.3156 *822.332* 822.332@0.96328723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 822.332 *822.401* 822.401@0.8854701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3362 1 1 1 13891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 822.401 *823.534* 823.534@5.062703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.534 *824.4146* 824.4146@0.9019062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9065 7180 1 1 1 29312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9664 9664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5080 6949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 824.4146 *824.6128* 824.6128@1.1959293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2187 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32158 10795 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 824.6128 *825.5476* 825.5476@5.056786 39379 224076 19382 19573 224661 18642 16430 15740 212605 16278 27353 27425 264587 268101 190366 184907 136455 17968 60021 59541 35377 1 66898 67038 240578 29598 226761 16580 216806 29415 21859 21298 179835 170707 17776 16926 13713 213562 22253 310868 11967 11570 28222 26597 54059 54228 1 268258 247864 26295 25235 25182 10505 10255 13836 165651 230325 16509 304582 304405 14113 14521 5482 5757 58958 59282 20165 199247 19798 19529 349570 349872 144545 11913 17165 16784 19971 20218 163617 16221 25977 24878 191773 13871 237201 21937 26401 27040 13021 154388 825.5476 *826.43* 826.43@0.90546477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5376 4530 4359 2609 4294 4470 1 1 1 1 15975 1 1 1 3067 1 1 1 1 1 1 1 3091 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6624 6754 5440 5331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3273 1 1 1 1 1 826.43 *826.5515* 826.5515@5.0622044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 826.5515 *826.6122* 826.6122@5.9627275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8456 8720 1 1 826.6122 *826.6276* 826.6276@1.1944932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 826.6276 *827.5639* 827.5639@5.105516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6201 1 1 1 1 1 1 1 1 1 1 1 13312 1 1 1 1 1 1 1 1 1 50017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51333 1 1 1 1 827.5639 *827.5654* GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 5.053175 279856 5851 207996 206658 1 295551 277393 180138 1 288328 254812 310339 1 1 1 1 1 177928 257515 264548 347159 488740 382834 329539 1 310566 1 364107 1 276030 288106 259990 1 9828 147264 217476 290564 1 579326 1 147423 197292 413792 306498 261912 258645 473571 1 1 317648 551101 760658 203850 204647 225276 1 1 314899 1 1 364126 357998 127391 183041 198706 292351 242558 1 307675 308917 1 1 1 193655 249572 248396 340452 301992 1 258806 321130 313778 1 269219 1 262325 807305 810680 211265 1 827.5654 *827.6311* 827.6311@1.1944932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.6311 *827.8588* 827.8588@5.48415 2701 2342 2346 2431 2859 2564 2990 3034 2614 2811 2381 2278 2459 2461 2573 2608 2405 2331 3261 3475 2598 2708 2372 2614 3725 3157 2697 2471 2678 2417 1 2552 2474 2632 2737 2600 1 2724 2556 2573 2700 2830 2174 2399 2615 2339 2549 2576 2740 2936 3081 2713 2606 2731 2570 2352 2859 2780 2744 2666 1 2510 2495 2998 2691 3046 3139 3104 2918 2672 3213 3512 2450 2296 2462 2379 2455 2332 2424 2930 2601 3006 2813 2838 2717 2688 2750 2930 1 2909 827.8588 *827.8978* 827.8978@5.0469184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2843 1 1 1 1 1 1 1 1 1 1 1 5909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 1 1 1 827.8978 *827.9205* 827.9205@5.046366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.9205 *827.9994* 827.9994@5.0513124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.9994 *828.4948* 828.4948@2.141729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38066 10470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8578 17942 1 1 1 1 1 1 1 1 1 1 828.4948 *828.496* 828.496@2.2359061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5019 1 1 1 1 1 1 1 1 1 1 1 828.496 *828.5365* 828.5365@1.092546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4468 7232 1 1 828.5365 *828.5575* 828.5575@1.0921123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.5575 *828.5681* 828.5681@5.0569773 1 220826 1 1 256796 1 1 85887 230835 1 1 1 107795 108178 82478 81254 56509 1 330261 329972 1 1 1 1 267997 1 99501 1 87441 1 1 1 74983 74156 184417 1 1 93017 1 365373 1 1 1 1 1 1 1 285255 102007 1 1 1 1 1 1 69265 100627 1 324400 322149 1 1 1 1 223267 1 1 83836 1 1 1 1 61827 1 1 1 1 1 67763 1 1 1 83133 1 101041 1 1 1 1 66489 828.5681 *828.9493* 828.9493@5.0466347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 1 1 828.9493 *829.007* 829.007@5.063339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.007 *829.4987* 829.4987@2.18772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.4987 *829.5791* 829.5791@5.08349 271320 1 321486 312853 1 362035 478949 459376 1 321996 336769 56652 429845 515253 498039 489970 458746 459772 1 1 406956 1 393830 447472 1 421907 428402 382738 391934 392800 479100 495544 498501 500790 1 248198 397992 398383 1 1 469278 459050 1 311057 357419 357937 1 1 448120 440229 448448 1 488828 487087 304505 309397 435739 443360 1 1 1 1 167321 1 1 341597 333927 332275 381250 385099 1 1 275103 280333 316129 317293 295303 336738 340662 316647 464928 468431 370500 368717 648318 648515 1 1 338981 332893 829.5791 *829.5803* 829.5803@5.1270576 1 1 1 1 1 1 1 1 1 1 1 1 85129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.5803 *829.9176* 829.9176@5.0827775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3612 1 1 1 1 1 829.9176 *830.4959* 830.4959@2.2047415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5649 15183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 830.4959 *830.5615* 830.5615@1.0944561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 830.5615 *830.5827* 830.5827@5.082409 1 1 1 1 1 1 1 1 1 1 1 42784 1 1 1 1 1 1 1 1 1 57310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66550 1 1 1 44638 1 1 1 50680 1 1 1 1 1 1 1 1 1 1 1 1 1 37926 36791 1 21905 1 1 1 1 1 1 41370 40658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89778 89419 1 1 830.5827 *830.6479* 830.6479@5.952145 7044 6844 8356 8615 8193 8055 9931 9267 7856 7738 8264 8385 12742 11585 12293 11762 6480 6481 17109 17361 13436 13685 12315 13185 7949 7938 7536 7347 8399 8507 11548 6557 10112 10243 6922 7125 10084 11501 17325 17893 7866 7987 7055 7054 10224 10560 11595 11705 17011 16832 18720 18471 14004 14089 9113 8451 12511 12192 13869 12728 10471 10548 4569 3977 6604 6253 8633 9088 15321 14705 9395 9164 6972 7131 10031 9457 12721 11943 7195 7221 12282 12417 8973 9147 18962 19045 28565 29281 6445 6306 830.6479 *831.1629* Flavin adenine dinucleotide (FAD) 5628 5332 1 1 7249 7401 5057 5395 9292 8663 11374 10168 6758 7277 7532 7601 7239 7057 11206 10718 10315 10153 7331 7543 8855 9176 5153 5123 3741 4213 5960 6542 3731 3877 5259 4844 1 1 6323 6278 1 1 4470 4370 9456 8959 1 1 4453 4285 8811 8212 1 1 1 4770 8733 9258 1 1 1 1 1 1 3101 3203 5655 5562 3544 3743 7843 7752 3259 3466 1 1 6879 6865 3676 3874 1 1 1 1 7113 6765 1 1 8044 7409 C00016 831.1629 *831.3516* 831.3516@1.1055281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12558 6473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.3516 *831.5957* 831.5957@5.084769 1 138928 1 1 197375 1 1 1 182971 1 1 198273 1 1 1 1 1 1 294909 294235 1 211434 1 1 254899 1 1 1 1 1 1 1 1 1 135557 1 1 1 331915 327805 1 1 164121 1 1 1 237297 235961 1 1 1 237600 1 1 1 1 1 1 241770 244612 179020 175559 1 90779 210360 1 1 1 1 1 195807 199654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300096 302727 1 1 831.5957 *831.6509* 831.6509@5.9552093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.6509 *832.575* 832.575@1.0909406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7178 1 1 1 1 1 1 1 1 3474 1 1 1 832.575 *833.3644* 833.3644@1.1053909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 1 1 1 5573 1 1 1 1 1 1 1 7612 9299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 833.3644 *834.2938* 834.2938@0.9412128 1 1 1 1 1 1 1 1 1 1 3944 4137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4853 11054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8713 8789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7855 10910 8210 6089 1 1 1 1 1 1 1 1 834.2938 *834.5217* 834.5217@4.496201 1 1 1 1 6961 6543 1 1 1 1 1 1 4668 1 1 4272 5309 5497 1 1 1 4128 5558 6655 1 4735 4460 1 1 1 1 1 5302 5328 1 1 1 1 9728 9310 6199 5600 1 1 1 1 1 1 1 1 1 1 6310 6177 1 1 1 1 1 1 1 1 1 1 3617 5370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8542 8370 6845 8107 1 1 834.5217 *834.5861* 834.5861@1.0901358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9054 1 1 1 834.5861 *834.6101* 834.6101@5.0817466 1 1 1 6884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13242 1 1 1 1 1 1 1 1 1 1 1 1 8166 1 1 1 1 1 1 1 1 1 1 6253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5487 1 1 1 1 1 1 1 1 1 1 7853 1 1 1 1 1 1 834.6101 *835.381* 835.381@1.103429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6455 1 1 1 5703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 835.381 *835.5676* 835.5676@4.9827843 1 1 1 1 1 1 1 1 1 1 3202 3235 1 1 1 1 1 1 2713 5370 1 1 5548 1 4131 18674 1 1 4625 4839 14639 1 1 1 1 1 1 1 1 13228 1 1 1 1 6948 6421 1 2666 1 1 1 1 1 1 1 1 1 1 3499 3227 1 1 1 1 5020 9821 1 1 1 1 7693 10392 1 1 1 1 1 1 1 6777 6907 1 1 1 1 1 1 1 1 1 835.5676 *836.3119* 836.3119@0.93085974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3863 3598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 2709 1 1 1 1 1 1 1 1 1 1 836.3119 *836.3819* 836.3819@1.1023176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 836.3819 *836.5965* 836.5965@1.0984695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 836.5965 *837.3908* 837.3908@1.1013155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.3908 *837.5822* 837.5822@5.016914 1 1 1 1 1 1 1 1 1 1 1 1 4659 5172 1 1 1 1 5292 1 22512 3297 1 1 1 1 1 1 7469 7536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 5268 1 1 1 1 1 1 1 1 1 1 1 1 1 7680 1 1 1 1 1 1 1 1 1 1 1 837.5822 *837.5834* 837.5834@4.982292 1 1 6038 1 4017 6293 7652 7202 1 1 11475 10915 5250 4829 8140 6757 3203 1 4650 5639 4571 6530 1 5426 14594 1 6616 7375 6895 7312 1 12067 1 3627 1 1 4702 1 10751 1 3313 6165 1 1 30417 7785 9672 7690 4765 7271 10428 11008 6400 4059 1 1 7260 8674 53901 13229 1 4035 1 1 24061 23364 7180 7482 7168 4576 2607 1 1 1 1 1 6550 7209 3790 8337 4399 8991 1 1 11684 11212 12315 12595 4003 1 837.5834 *838.553* 838.553@1.6186482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 838.553 *839.5969* 839.5969@5.0025964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7239 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 1 1 1 1 1 1 1 1 21704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14028 1 1 4204 1 1 1 1 1 1 1 1 1 1 1 1 839.5969 *839.5988* 839.5988@5.0159516 26677 26138 27514 16754 26602 27513 36885 21459 24646 13537 35399 36714 34929 34572 32706 35250 20580 14546 34714 22497 1 17968 16730 27006 38923 33389 27734 32638 31518 27487 24029 37639 24940 25734 17717 17089 20700 21581 35377 32602 25814 29711 23627 13001 4392 19681 30461 29862 4837 25694 43510 40449 26696 27131 14327 14561 25904 18840 1 45081 20995 20253 16371 15087 1 1 26912 23329 27655 27519 25798 16923 20936 13326 3339 19305 29646 13402 49311 32239 34726 34478 20095 11200 37753 38070 38503 38703 26645 27399 839.5988 *840.6034* 840.6034@4.96647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 840.6034 *840.607* 840.607@1.1946478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 840.607 *841.597* 841.597@5.0302887 1 1 1 12866 1 1 1 14361 1 13330 1 1 1 1 1 1 1 10554 1 13557 11964 12997 12360 1 1 1 4694 1 6231 16716 15865 1 1 1 1 1 1 1 1 1 1 1 1 12654 1 12757 1 1 1 1 1 1 1 1 10537 9051 1 12599 1 1 1 1 1 1 9482 9672 1 1 1 1 1 10492 1 7948 1 1 1 14270 1 21294 1 1 1 9224 1 1 1 1 1 1 841.597 *842.6055* 842.6055@5.0288095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3978 1 1 1 1 1 1 1 1 1 4335 6606 1 1 4297 1 1 1 1 1 1 1 1 1 1 1 3157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4309 1 4969 1 1 1 1 1 1 1 1 3433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 842.6055 *842.6226* 842.6226@1.201577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4162 3755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 842.6226 *843.6261* 843.6261@1.201577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 843.6261 *844.6625* 844.6625@5.933039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4220 1 1 1 1 1 1 1 1 5473 5369 4829 4922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5158 5883 8594 8466 1 1 844.6625 *845.179* 845.179@0.7570902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3957 3808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 4282 4025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.179 *846.3312* 846.3312@0.87025833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2678 1 1 1 1 1 1 1 1 8457 15213 1 1 4488 4931 1 1 3823 3665 1 1 1 1 1 1 1 1 7091 4128 1 1 3147 1 5680 8648 1 1 1 1 1 1 1 1 1 1 1 1 7548 7701 1 1 1 1 1 1 16465 12152 1 1 8514 8695 2726 2813 1 1 1 1 846.3312 *847.3247* 847.3247@1.1941497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.3247 *848.3435* 848.3435@0.8884304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5541 1 1 1 1 1 1 1 1 8780 1 1 5886 7360 1 1 1 1 1 1 848.3435 *849.5453* 849.5453@5.040168 1 1 1 1 1 1 1 1 11520 1 1 1 1 1 1 1 1 1 1 4000 1 1 3765 3744 1 1 1 1 1 10445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4223 4182 1 1 1 1 1 1 1 1 1 8648 1 1 1 1 3816 1 1 1 849.5453 *850.2548* 850.2548@1.1702118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3478 3208 1 1 1 1 1 1 1 1 3552 3502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 850.2548 *851.5623* 851.5623@5.0920963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5623 *851.5644* GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 151853 150875 202122 138608 148185 148095 158999 149957 137286 134153 178915 183541 189576 189063 131868 128274 104464 170511 312549 310457 229729 231146 248498 245996 161590 161086 158056 157931 171265 240118 203642 205170 148335 183913 120019 120502 140974 144305 247240 244736 176005 118479 162031 163973 241949 242387 217196 215657 197640 194513 215370 216096 118186 118019 196907 134607 214182 96508 236683 236039 124734 121985 67868 66853 274108 271412 155521 156392 146306 146922 246886 247723 126153 125017 147088 144988 164612 158914 238878 244077 181586 187978 176992 179535 190815 192013 291833 294539 114736 115978 851.5644 *853.5788* 853.5788@5.0496407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69368 1 1 1 11829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4727 1 1 1 1 1 1 1 1 1 1 1 1 853.5788 *854.4556* 854.4556@0.90311784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5449 5762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.4556 *854.5818* 854.5818@5.033851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.5818 *854.648* 854.648@5.934429 1 1 1 1 1 1 1 1 1 1 1 1 1 3929 1 1 1 1 10030 1 4456 4570 1 1 1 1 1 1 19502 1 5898 5725 1 1 1 14844 1 1 4678 5020 1 1 1 1 1 1 1 1 1 1 6120 5989 1 1 1 1 1 1 4418 4250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26248 1 1 1 1 1 7102 6945 13340 12966 1 1 854.648 *855.5936* 855.5936@5.0609865 1 1 1 1 1 1 9897 1 1 32619 1 1 1 1 1 1 1 1 1 1 8225 1 1 2566 1 1 1 1 1 1 32526 7072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9721 1 1 1 1 1 1 1 1 1 1 1 1 9127 1 1 1 9490 1 1 1 1 1 1 1 1 1 1 1 855.5936 *855.5954* 855.5954@5.018358 127114 126250 1 93214 146175 145690 127734 133415 161486 105401 166216 138691 162970 162050 135267 130511 94722 1 251960 250631 163078 143662 162940 161489 167851 198112 143338 143693 115002 140903 111687 166494 132372 116268 138495 113575 183835 187153 235314 205003 1 84655 163221 134238 108586 109422 155473 169478 183755 182874 317550 276957 100566 98858 1 93048 166618 15964 187273 175499 161678 137821 67276 67557 164761 135608 151823 151274 157906 148663 97795 96798 100652 100506 150242 167726 181682 180078 91695 125263 156959 148384 131202 132213 154528 155478 286550 269570 150590 125709 855.5954 *856.5689* 856.5689@1.0904429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 856.5689 *856.5987* 856.5987@5.0266485 1 1 62220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65068 1 1 1 1 1 1 1 1 1 1 1 1 1 57858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 856.5987 *856.663* 856.663@5.9237394 9355 14997 15438 16078 11096 15497 9024 15774 16525 16358 12269 22080 18349 17592 14279 15748 13951 6490 1 24863 16977 16998 27718 16803 20968 11845 23661 20076 1 10688 23344 15603 9306 9689 9070 1 19068 9629 23568 14859 12581 12614 13582 13551 12403 12302 22761 22923 32330 30695 45770 46574 12695 13008 18122 18175 22463 13470 19823 28502 15997 14877 13947 13902 13207 21916 22365 10838 23705 24040 28942 27860 16531 5653 21611 21286 11190 11304 1 14183 27689 27860 21195 21291 26163 25833 53607 30927 6876 13084 856.663 *856.9795* 856.9795@2.7717223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 856.9795 *856.9814* 856.9814@2.0480592 1 3343 1 9553 1 9836 13474 12708 9835 1 15808 1 10050 9612 7781 10647 1 7405 7906 1 1 8064 11644 6036 13213 9051 10734 15123 8997 1 9542 1930 1 15717 1 4516 1 9697 1 1 1 1 10044 10120 12337 8423 7868 9906 12693 9867 11019 6314 5911 5939 17206 7450 12258 14208 11687 7487 9805 1 9850 8415 12625 1 11798 12754 1 10795 1 11567 10142 14975 8411 9807 11166 17649 9205 10135 8182 5340 16297 9930 1 7703 7606 18362 1 1 856.9814 *856.9816* 856.9816@2.0303576 1 1 1 1 1 1987 1 1 1 1 1 1 8148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 5338 1 1 1 1 1 4821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7598 1 1 1 1 1 1 1891 1 1 3460 1691 1 1 4227 1 1 1 1 856.9816 *857.6076* 857.6076@5.0455985 1 1 1 32638 48615 47583 43557 41096 1 33099 1 41766 59668 57794 50232 48422 52155 53879 1 1 1 29367 53893 55133 32031 1 45978 44355 36843 1 44365 1 34042 47679 1 35153 1 1 1 46997 1 37902 1 44366 34050 35261 27762 1 61353 58584 1 40705 44868 45041 1 27820 1 25093 1 23184 1 23545 1 1 1 41136 31727 29590 1 27414 33428 33298 30926 31162 1 1 31606 33438 31053 1 60578 58967 43828 44902 59917 58825 1 39614 1 38799 857.6076 *857.6679* 857.6679@5.924759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8181 4550 1 1 1 1 1 1 1 1 1 1 1 1 21523 1 1 1 1 1 1 1 23394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3142 1 1 1 1 1 1 1 1 1 1 1 1 1 42402 1 1 857.6679 *858.5213* 858.5213@4.421802 4545 4048 1 1 8829 9076 5544 5261 3869 4136 1 1 6919 9840 4827 5138 6174 5898 6352 6272 6144 5897 12145 12144 6247 5760 4814 4643 3984 1 6298 6336 10115 6686 1 1 1 1 10532 14561 4577 4529 7963 8394 1 1 5849 4393 8604 11498 5626 5885 7665 4466 3748 3706 1 1 7793 6139 4235 6948 1 1 9418 9148 5563 5759 5275 5026 7472 4576 1 1 3891 3881 4022 5383 5084 7595 6610 6383 8082 4784 8314 8185 9463 8580 3171 1 858.5213 *858.5819* 858.5819@1.0874982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7092 7388 1 1 1 8101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5879 1 1 1 1 1 1 1 1 1 16831 1 1 858.5819 *858.6118* 858.6118@5.0494523 10011 9812 1 1 1 1 1 1 10390 1 14242 1 1 1 1 1 1 1 18759 18640 15298 15394 1 1 16697 16412 1 1 1 12781 1 15897 1 1 11284 1 15454 15525 18781 1 1 1 15198 1 1 1 1 12984 1 1 1 1 1 1 1 1 11744 1 11661 1 10598 1 4713 4532 14863 1 1 1 13743 1 1 1 1 1 11886 1 1 1 1 11748 1 1 1 1 1 1 19099 1 13298 1 858.6118 *858.6766* 858.6766@5.9227962 6697 1 1 1 6299 1 5941 1 1 1 9821 1 10915 10231 1 1 1 1 11739 1 9770 9700 1 11384 1 9179 1 1 1 8175 12904 1 7198 7362 7790 1 1 10573 15798 1 8879 8856 1 1 10658 10931 1 1 1 1 1 1 9882 9684 1 1 1 8936 12614 1 1 1 1 1 9046 1 1 10931 1 1 1 1 1 8094 1 1 10469 10755 1 11519 1 1 1 1 17337 17699 19417 1 6515 1 858.6766 *859.3634* 859.3634@2.9955523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5659 6606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.3634 *859.6186* 859.6186@5.0540814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6186 *859.6805* 859.6805@5.922221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6805 *860.3156* 860.3156@1.2011616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 860.3156 *860.3599* 860.3599@3.0015554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45890 44840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 860.3599 *860.5347* 860.5347@4.4601517 5698 1 1 1 8346 8299 8841 1 1 1 1 1 9624 1 9257 8799 13535 12972 1 1 6429 1 1 1 7681 1 1 8675 6107 1 8598 8318 1 10435 1 1 7531 1 17822 1 15819 15255 1 1 1 1 1 1 8436 1 1 8542 1 15259 1 1 9384 1 1 8424 9154 1 1 1 7189 7867 1 14768 6623 6967 1 1 1 1 1 1 1 1 1 1 1 7347 1 7549 18765 18789 5300 14988 6538 1 860.5347 *860.598* 860.598@1.0870509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5172 1 4162 1 12135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6439 1 1 1 1 1 1 1 1 1 13615 1 1 1 860.598 *861.8518* 861.8518@5.482998 8690 8352 8624 8896 9511 9287 10764 9905 9798 9965 7873 8509 9209 8981 10310 9271 9546 9584 12623 12283 8949 9026 9173 9249 12028 11375 9693 9278 9090 8872 9118 8416 9021 9159 9098 9028 8669 9071 9023 8971 9698 9426 8075 8375 9513 9410 8499 8467 9704 9395 10074 10139 10463 9906 9095 8971 9801 9855 9224 8770 7901 8195 9527 9301 8966 9278 10667 10236 9777 9877 11343 11945 7911 8351 9068 8461 8762 8315 9002 9258 9617 10058 9355 9718 10085 9668 11270 10668 8015 8105 861.8518 *862.5513* 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 1 3893 1 1 1 1 1 5485 1 1 4192 3667 1 6615 1 1 1 1 5481 9648 1 4212 7678 7477 1 3449 3905 1 1 1 1 1 6549 1 4490 4718 1 3846 1 12045 1 1 1 1 3911 3868 3772 1 1 4562 5126 1 10834 1 6712 6143 1 5279 5104 1 1 6465 4573 4025 1 1 10676 1 1 1 8826 5176 3425 3519 3392 3233 1 1 5756 6199 4300 1 6518 1 1 1 6013 1 1 4094 862.5513 *862.6074* 862.6074@1.0914463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 862.6074 *863.5548* 863.5548@4.4563236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4047 1 1 1 863.5548 *863.6001* 863.6001@4.994129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5525 15702 1 7797 10815 1 12642 8787 1 1 6708 17830 12262 1 1 1 1 1 1 1 1 1 1 1 1 1 4914 4994 10147 7287 1 4936 1 1 1 1 1 1 1 1 15840 9815 1 1 1 1 5996 7859 1 1 1 1 12583 12915 1 1 1 1 1 1 22131 22746 1 1 1 1 9411 1 1 1 1 1 863.6001 *865.6022* 865.6022@5.0049 1 1 1 1 1 1 1 1 1 1 5331 7815 1 1 1 1 1 1 6286 1 9580 1 1 1 1 1 1 1 14396 1 1 10045 1 1 1 1 1 1 1 1 1 1 1 1 5418 8258 1 1 6445 1 10645 7602 1 1 1 1 1 1 1 1 1 1 1 1 9263 8364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8308 11452 1 1 865.6022 *866.5882* 866.5882@1.0895627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 866.5882 *866.657* 866.657@1.187486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 866.657 *867.0092* 867.0092@1.9182802 1 1 1 1 1 1 1 1 1 1 1 1 1 3398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0092 *867.0101* 867.0101@1.135014 18669 1 14416 1 1 16887 17008 14706 6186 12449 15541 1 10912 12619 1 1 1 4625 1 14208 6414 17047 1 14049 1 16057 1 1 13614 1 7083 1 7868 10897 1 9546 1 2985 1 1 1 10965 1 16373 16028 17551 1 1 1 1 9472 16430 1 13411 1 1 1 1 18142 14083 18529 9636 1 1 1 1 1 16418 7303 1 1 6013 1 18256 1 1 1 4191 1 15328 16922 16740 1 1 1 1 1 1 22990 1 867.0101 *867.0101* 867.0101@5.691347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7705 1 1 1 1 1 1 7282 1 1 1 1 5736 1 1 1 1 1 1 2837 1 3204 1 1 1 1 1 1 1 1 1 1 867.0101 *867.0101* 867.0101@0.67449623 1 1 1 1 1 1 1 1 1 1 1 1 1 6663 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3872 3929 1 1 1 7943 6390 1 1 1 1 1 1 1 1 1 867.0101 *867.0102* 867.0102@1.5270408 1 1 1 1 1 1 1 5601 1 1 5710 1 1 1 1 1 1 1 1 1 1 6371 1 1 1 1 1 1 1 1 6900 1 1 4370 1 1 1 1 1 1 1 1 1 1 7647 7610 1 1 1 1 1 1 1 1 1 1 1 1 5297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4581 1 1 1 1 1 1 867.0102 *867.0104* 867.0104@0.9985476 14779 34387 16176 16198 1 16475 15130 13963 1 13068 16880 1 13474 14817 30477 28476 19125 1 12790 16923 17574 4754 1 19025 15597 16496 18658 1 15817 14044 18406 1 4013 20048 1 1 19372 12314 16252 17709 1 13375 1 16101 14380 1 18130 15673 1 1 1 15542 1 1 1 1 15364 18538 6591 8555 5360 15715 1 1 19524 17920 18434 18551 1 17765 1 17424 17577 12889 15950 1 11873 17272 18221 17478 18600 1 1 19788 16465 1 16776 16566 1 1 867.0104 *867.0104* 867.0104@5.0702114 6963 7381 15420 1 16063 17491 1 16135 12196 1 6220 11021 1 5668 1 1 1 5389 6339 1 6083 5497 1 4496 8570 9924 1 14664 6744 1 1 4770 1 2340 1 7433 1 1 1 5165 14575 1 16655 3388 9820 8378 16339 8974 1 1 8911 1 13174 14133 6568 12603 8320 13923 1 5879 1 7558 4638 1 1 1 1 6700 8681 1 1 7802 1 8468 12277 1 7576 14154 1 1 19405 8598 6717 8284 4790 1 4795 1 1 12702 867.0104 *867.0104* 867.0104@1.0515943 1 1 1 1 1 1 1 1 1 1 1 1 4353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19779 18685 13041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0104 *867.0106* 867.0106@5.0843973 1 1 1 1 1 1 1 1 1 1 1 5192 1 1 1 1 1 1 4650 1 10199 1 1 1 1 6107 1 1 1 1 1 1 1 1 1 8092 1 1 1 1 1 1 1 5745 1 1 1 6183 1 1 1 1 4376 1 1 1 5599 1 1 1 1 1 1 1 1 1 1 4214 1 1 1 6832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0106 *867.0107* 867.0107@6.501629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4665 1 1 1 4881 4919 1 1 1 1 5315 1 1 1 1 5595 1 1 1 5136 1 1 1 1 5277 5638 5842 5484 4661 3903 3576 1 3517 1 1 1 4370 5229 1 1 6767 4823 6352 5454 5532 5516 4164 6273 1 1 1 1 1 1 1 5367 5983 5616 1 1 1 1 7743 1 1 4738 1 1 1 1 6377 4866 4950 5904 1 1 867.0107 *867.0107* 867.0107@2.9242249 7482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7099 1 1 1 1 1 1 5528 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0107 *868.6737* 868.6737@1.1834819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 868.6737 *869.2252* 869.2252@1.0913601 2883 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.2252 *869.6752* 869.6752@1.1834819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.6752 *870.4503* 870.4503@2.1347728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 870.4503 *870.4511* 870.4511@2.0698948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492059 555546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 870.4511 *871.5511* GPSer(18:0/20:4(5Z,8Z,11Z,14Z)) 17153 16484 16197 15621 19392 16934 20998 20916 15886 16571 17276 18047 22894 25637 20504 21607 20680 20497 21917 20869 21441 22136 21747 21415 19000 18288 20321 21080 21509 20194 22237 24460 24567 22546 12774 12687 19378 19219 26025 25856 22314 20879 18661 18451 21256 21400 21271 19775 18519 18679 20951 20662 22488 22982 17977 18295 18846 18930 23135 25444 14342 15114 10849 10916 20318 13085 14992 16104 21082 17744 16021 18676 13709 14316 16100 15392 16299 15978 20536 18615 20319 20486 16744 17297 25584 25940 27020 28656 14776 14541 871.5511 *872.16* 872.16@1.1300502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20918 22158 1 1 1 1 1 1 1 1 1 1 872.16 *873.5674* 873.5674@5.106385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 8364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 873.5674 *874.355* 874.355@3.0165634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66087 65491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 874.355 *875.5629* 875.5629@4.9964356 7164 1 1 1 1 8370 1 9580 8044 1 1 8087 1 11576 9643 8852 1 1 1 22576 14630 10155 13379 13436 10959 11215 1 1 15267 15627 15498 1 1 11216 1 1 1 1 16949 1 8852 1 1 1 1 1 12590 13047 12034 11852 4219 4217 1 1 1 1 1 37623 15377 1 1 7431 1 1 1 13805 11155 1 7870 1 10486 11200 1 1 1 1 1 11794 1 1 10321 1 1 1 1 1 3520 1 1 1 875.5629 *877.5786* 877.5786@4.998043 1 5271 32987 32111 6869 1 8269 1 1 30226 9267 1 9489 1 1 1 27384 27742 18989 1 1 1 1 1 1 1 7165 7094 1 1 1 13871 9477 1 6113 6206 7326 7571 1 15145 1 30594 6900 6889 13246 13027 1 1 1 1 10540 10078 5974 5742 7685 7291 58308 1 1 12111 6002 1 1 14304 13218 1 1 8715 1 6326 1 1 31455 37026 7690 7895 9345 1 13765 14555 1 8608 10953 11890 12784 13120 15654 14984 32284 26860 877.5786 *878.5807* 878.5807@4.9998236 1 1 1 1 1 1 1 1 1 1 1 3479 1 1 1 1 1 1 1 1 1 4489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4663 5079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 878.5807 *878.5993* 878.5993@1.0901864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 878.5993 *879.5937* 1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 25770 12751 1 1 19584 39217 21097 28914 23753 1 44830 44495 19968 40045 24977 24358 1 1 78821 81059 49122 45722 63312 63511 36774 40647 25186 24357 55943 52248 43050 43802 37163 46874 12740 18210 33315 15177 68784 30511 22377 1 18298 18153 54134 52453 50045 49643 51146 53884 23251 23631 12109 12297 19172 12275 1 1 46460 20530 16560 23483 5822 1 46078 90508 38916 18868 18550 13049 63500 63445 1 1 21910 22803 16001 33570 33469 34514 48113 21963 46678 23915 20996 44821 26252 26307 1 1 879.5937 *879.9866* 879.9866@0.77053696 10259 10875 7321 8393 4752 4874 5732 3014 10748 10700 9478 6773 9956 10179 10118 1 8778 8909 6202 5259 6661 8381 8405 10369 7625 8515 7301 7009 6732 7035 6244 5928 1 1 8376 10905 6273 6986 8959 8677 8660 9049 20312 20543 5566 3539 9545 9360 12439 12901 11870 9813 14606 14578 6402 6172 11175 11188 10769 10754 1 11430 1 1 8207 7045 9927 10479 13040 11487 14143 13512 6174 7527 14248 14186 4044 12880 4884 6749 7786 6974 13576 15214 5471 1 11956 11865 8381 9933 879.9866 *879.9868* 879.9868@0.7963483 1 1 1 1 1 1 1 2837 1 1 1 1 1 1 1 9773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7604 1 1 1 1 1 1 1 9770 1 1 1 1 1 879.9868 *880.5965* 880.5965@5.000498 1 14962 1 1 25500 1 1 1 1 1 1 1 25182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16315 1 1 17633 1 36839 1 1 23237 22889 1 1 1 1 1 1 28561 28412 15217 15015 1 14913 1 20312 1 25571 1 1 7149 1 45106 1 1 20892 1 17412 1 1 1 1 1 1 21844 1 32299 34054 1 25776 1 24491 24618 1 35203 35530 1 1 880.5965 *881.2229* 881.2229@1.1053679 7875 8520 1 1 1 1 1 1 1 1 5040 4745 1 1 1 1 1 1 1 1 11707 11839 8227 8713 1 3729 1 1 1 1 1 1 6164 5551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14733 14458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3336 1 1 1 1 1 881.2229 *881.6073* 881.6073@5.0091095 1 1 1 1 1 1 17014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17043 16517 1 1 1 1 18427 1 1 12827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11073 1 1 1 1 1 10923 1 1 1 1 1 1 1 13956 1 1 1 1 1 15855 16343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 881.6073 *882.404* 882.404@1.1913087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3801 4238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 882.404 *882.5219* 882.5219@4.3928227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 882.5219 *882.6114* 882.6114@5.0111194 1 1 1 1 1 9442 1 7421 6459 6071 1 1 1 9214 6574 1 5309 1 1 1 1 6517 10465 10155 8427 1 1 1 1 6334 8673 9356 1 8284 1 1 1 1 1 1 1 1 1 1 1 5743 1 1 7953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8088 1 1 1 1 1 1 1 1 1 1 1 1 882.6114 *883.6224* 883.6224@5.0093317 1 1 1 1 4589 1 1 1 1 1 1 1 4552 1 1 1 1 1 1 1 1 1 1 1 1 3876 1 1 1 1 1 1 1 1 1 1 1 1 6061 6397 1 1 4017 3778 1 1 1 1 1 1 4044 4130 1 1 1 1 1 1 1 4110 1 1 1 1 1 3757 1 1 1 1 1 1 1 1 1 1 1 1 3804 4112 3751 1 1 1 4307 4349 6256 6236 1 1 883.6224 *884.0006* 884.0006@0.9283814 1 1 1 1 1 1 1 1 4268 4344 1 3605 1 1 1 3561 4415 5099 4210 4613 1 1 1 1 1 1 5703 5567 4710 1 3943 4106 1 1 1 1 1 1 4600 4829 1 1 1 1 1 1 1 3635 1 3973 1 1 1 3292 1 1 3254 1 4937 4960 4711 3618 1 1 4984 4820 3665 1 1 1 4987 5276 5483 5251 3738 4055 5315 4603 4845 5396 5952 6029 5979 5954 4929 4883 5788 6088 5225 4857 884.0006 *884.4354* 884.4354@0.9853073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5150 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 884.4354 *884.5365* 884.5365@4.3839774 1 1 1 1 1 1 5093 5588 1 1 1 1 1 1 4728 4455 6617 6664 5331 5142 4853 5210 6177 6531 1 1 1 1 1 1 6540 6798 1 1 1 1 1 1 9581 9832 5139 5263 1 4309 1 1 1 1 1 4968 3725 1 1 3826 1 1 7153 7450 5463 5637 4337 4315 1 1 1 4280 4909 5543 1 1 1 5376 4054 1 1 1 1 1 4593 1 1 1 1 4121 9436 9491 10692 10311 1 1 884.5365 *886.5526* Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z)) 36943 35774 30236 31807 28845 29529 38087 36526 36501 35447 32810 33665 36446 45182 30364 25600 31581 30701 73643 73260 43172 44107 60705 61246 27124 27640 41732 41115 29460 28797 36791 38459 32876 33216 28896 27368 32060 37301 83736 81084 27387 30868 45333 46450 31573 32970 28881 29587 59155 59025 47554 48498 40010 39259 33534 32230 37491 36822 42074 43169 41889 41507 27884 27382 46439 44248 54665 54831 38709 38329 48335 46471 38315 33207 43420 43434 36394 38398 35865 37845 31940 37365 45155 45984 51585 51765 111786 102737 36196 35495 886.5526 *888.5663* 888.5663@4.4070406 1 1 1 1 1 1 1 1 1 1 1 1 7009 1 1 1 4844 4635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6070 1 1 1 4991 4177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5440 1 1 1 1 1 1 6677 1 1 1 1 1 1 9368 1 1 888.5663 *889.4275* 889.4275@1.101519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5867 7013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 889.4275 *889.5677* 889.5677@4.4154553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 1 889.5677 *890.2783* 890.2783@1.1345155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4376 4536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 890.2783 *890.5131* 890.5131@1.0271862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6792 7006 1 1 890.5131 *892.4305* 892.4305@1.9977539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22719 20992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 892.4305 *892.4323* 892.4323@1.9501597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9602 9525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 892.4323 *892.5324* 892.5324@1.0268188 1 1 1 1 2202 1 3365 3166 2980 2507 1 1 1 1 1 2649 1 1 3805 3601 3541 3490 3134 3051 1 1 1 1 3239 3781 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2687 1 1 1 1 1 1 1 1 1 1 892.5324 *893.45* 893.45@1.0983093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 893.45 *893.5339* 893.5339@5.0529156 1 5795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11494 1 1 1 1 1 6897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 893.5339 *895.5516* GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7579 1 5907 5956 15257 7721 7136 11794 1 7860 6767 10977 18007 14156 12444 6403 14253 5057 17732 13595 8370 19375 8520 7878 11444 8037 16924 8482 15298 1 7675 8142 11247 11334 9058 9182 7639 16281 14274 13113 5888 5451 15270 7794 16786 6805 11979 11632 11221 7477 11485 16474 5564 10363 6835 10606 17229 8631 17460 12460 10477 10724 4390 6150 1 7131 7199 10511 7773 7993 1 4979 8535 12819 6953 6847 7574 7405 9634 6108 7901 1 14888 6961 11196 13162 14847 15754 5747 8299 895.5516 *895.8462* 895.8462@5.4838886 1 1 1 2175 2077 2063 2522 2545 1 1 1 1 1 1 2292 1 1 1 2907 2989 2202 1 1831 1 2629 2629 2218 2189 2447 2041 2374 1 2098 2314 1972 2361 2246 1 1 2119 2298 2009 1 1 1 2385 1 2101 1 1 1 2308 1 2261 1 1 1 1998 1813 1 1 1 1 2125 2406 2357 2346 2489 2857 2468 2630 2996 1 2076 1 2249 1 1 1 1 2334 2377 2338 1 2303 1 2579 2448 1 1 895.8462 *897.5646* 897.5646@5.082161 1 7243 8896 8740 1 9958 9057 1 1 9046 8789 1 1 1 1 5384 1 13155 1 1 9388 1 11446 11393 1 11728 1 11472 1 10829 13345 11921 1 1 1 1 10744 1 1 1 9824 12288 1 9316 1 9713 1 1 1 11355 10838 1 12596 1 8355 1 1 8865 1 1 1 1 1 1 1 9509 9458 1 10716 10640 1 8984 1 1 9121 6995 9244 9485 1 9779 10504 11143 1 10469 1 1 1 1 7143 1 897.5646 *899.5809* 899.5809@5.083759 1 1 1 1 1 1 1 7003 5402 1 1 3428 1 6917 7113 6897 1 1 1 7091 1 1 1 1 6559 1 1 1 1 1 1 1 7199 7248 3728 3891 1 1 7757 7540 1 1 1 1 1 1 5843 6099 7078 1 1 5689 1 7257 1 4454 1 1 1 5675 4788 5019 1 1 4682 1 1 5596 1 1 5499 1 4139 1 1 1 1 1 5867 1 1 1 1 1 7755 4749 6173 5854 1 5470 899.5809 *900.273* 900.273@0.95211375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4073 4150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6977 7874 1 1 1 1 1 1 1 1 1 1 900.273 *908.6559* 908.6559@1.070156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 908.6559 *909.0194* 909.0194@3.274955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6116 5158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 909.0194 *914.414* 914.414@1.989738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12624 12293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 914.414 *914.514* 914.514@1.0292854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11879 12464 1 1 1 1 1 1 8861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9667 23984 1 1 1 914.514 *914.527* 914.527@1.0332962 10376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 914.527 *914.6401* 914.6401@1.0850585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5888 1 1 6642 6057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12691 1 1 914.6401 *916.533* 916.533@1.027273 1 22527 6034 20293 9838 9474 12093 10907 24973 24995 26712 8666 24968 25681 25896 26880 22322 22601 16530 16397 1 1 36706 14289 23456 23004 18140 17915 1 11396 4648 5203 4410 16086 4621 6679 9329 9092 4302 15113 22481 23667 10437 3001 14825 15236 4243 11571 11388 11577 12980 11869 22265 21847 14217 14802 24077 24851 13566 12820 10111 6973 1 1 7055 6786 13274 13542 7567 6710 25482 25751 17553 17356 16748 16743 10672 10583 43601 45625 12428 12355 21101 20896 29826 1 1 32263 13949 13820 916.533 *916.6022* 916.6022@0.9795147 5489 5511 3378 1 3032 1 3722 3836 6564 6308 5457 5978 4506 3789 1 1 1 1 1 1 1 1 8174 8655 1 1 1 1 5501 5166 1 1 1 1 1 1 1 1 1 1 7686 7851 1 1 1 1 1 1 1 1 5469 5040 4568 3966 1 1 1 3426 1 1 1 1 1 1 1 1 5838 5903 1 1 1 1 1 1 5610 5872 1 1 1 1 1 1 1 1 1 1 4387 3823 1 1 916.6022 *916.6547* 916.6547@1.0861638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9671 1 1 1 916.6547 *917.5374* 917.5374@1.0286857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5804 5789 1 1 1 1 1 1 4055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 11539 1 1 1 917.5374 *918.5498* 918.5498@1.0245126 14843 1 7651 1 12756 23934 15108 28136 1 1 1 19791 1 1 1 1 1 1 22065 41277 36544 37180 1 25329 1 1 1 1 31145 27963 7955 7842 5805 1 1 1 1 1 10699 1 1 1 1 3958 1 1 4612 1 1 1 17183 16098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18100 78025 43387 1 1 918.5498 *918.6666* 918.6666@1.0827397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6990 4310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1 1 1 1 1 918.6666 *919.5516* 919.5516@5.02889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7004 7756 6068 5220 6287 6325 1 1 1 1 5542 6605 1 1 4544 4769 1 1 1 1 1 1 1 1 1 1 5816 5594 1 4708 1 1 1 1 1 1 1 1 1 1 5550 6230 1 1 1 1 5605 6962 1 1 1 1 6633 6746 1 1 1 1 1 1 5963 5631 1 1 1 1 1 1 1 1 1 1 919.5516 *919.5527* 919.5527@1.0238454 1 1 6336 1 10699 1 13921 1 1 1 1 1 1 1 1 1 1 1 19266 1 1 1 1 1 1 1 1 1 1 1 6870 6546 5708 1 1 1 1 1 1 1 1 1 1 3019 1 1 3297 1 1 1 14581 13774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35395 1 1 919.5527 *920.6362* 920.6362@1.0616258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 920.6362 *921.5669* 921.5669@1.0196794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5669 *922.4858* 922.4858@0.9252662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.4858 *922.596* 922.596@1.090413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.596 *923.5811* 923.5811@5.016653 3150 1 1 1 3834 4897 3846 3848 4601 4555 4563 3972 4719 5557 4763 4835 1 1 6544 6378 4919 3905 4944 4624 5678 5737 4385 4433 1 1 4402 5055 1 1 3947 4099 4502 4530 5614 5931 1 1 4782 4022 1 1 4978 4688 5951 5051 7312 7200 1 1 1 1 4099 2916 5251 5185 5122 3136 1 1 4704 4446 5250 4739 4585 4240 1 1 3625 1 4750 4661 5425 4755 3112 1 4357 4796 4390 3884 4407 5558 6318 6197 4464 4332 923.5811 *924.5962* 924.5962@1.0899036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10259 1 1 1 12540 1 1 1 8698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12186 14445 1 1 10234 9795 1 1 1 1 1 1 924.5962 *928.6219* 928.6219@1.0884087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 928.6219 *929.839* 929.839@5.4831533 6599 6386 6089 6221 6731 6649 7337 7020 7391 6947 5685 5696 6101 6644 6745 7171 6646 6542 7927 8671 6945 6426 6413 6658 8115 7785 6413 6223 6329 6189 6512 5804 6101 5876 6643 6145 6262 6627 6123 6237 6640 7162 5479 5430 6510 6228 6273 6029 6644 6344 6707 6945 7184 7098 6029 6504 6376 6321 6200 6342 5633 5834 6416 6514 6716 6470 7420 7752 7045 6925 8301 7950 5765 5458 6177 5961 6454 5964 6430 5898 6736 6830 6469 6981 6604 6058 7741 7426 6046 5972 929.839 *930.3879* 930.3879@1.1949003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2752 3108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 930.3879 *932.3248* 932.3248@1.113999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5487 4702 1 1 932.3248 *932.5934* 932.5934@0.9808067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 932.5934 *934.3037* 934.3037@4.2851553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35048 35836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 934.3037 *934.996* 934.996@1.2870871 1 1 1 1 1 1 5069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 934.996 *936.3944* 936.3944@1.9787165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9394 8727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 936.3944 *936.6596* 936.6596@1.071649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 936.6596 *940.5313* 940.5313@1.0280648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6761 6977 1 1 940.5313 *944.4937* 944.4937@1.0235157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 944.4937 *956.9752* 956.9752@0.6664648 1 1 1 1 1 1 1 67495 1 1 1 1 1 1 56248 1 1 1 1 77536 1 1 1 1 1 1 110351 1 92280 1 1 1 1 1 79234 1 161973 1 1 1 1 1 140951 77258 1 1 1 1 119420 58627 1 1 57682 107600 85408 1 158425 126894 1 1 1 92540 1 167049 1 1 1 1 189244 1 1 1 1 1 130418 1 1 1 1 1 1 116836 1 1 94298 1 51819 106229 143079 237080 956.9752 *956.9752* 956.9752@1.1410582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9752 *956.9753* 956.9753@1.4979848 1 1 1 1 1 1 1 12058 22460 1 1 1 17189 1 1 1 1 1 40994 1 1 1 1 1 1 1 1 1 1 1 78269 1 1 48984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30710 1 1 1 1 1 1 1 1 1 1 1 1 56180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50964 1 1 1 1 1 1 1 1 956.9753 *956.9754* 956.9754@0.88616395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34196 1 1 1 1 1 1 1 1 956.9754 *956.9754* 956.9754@4.7251577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93841 1 1 1 1 1 1 1 1 956.9754 *956.9755* 956.9755@4.0200753 1 1 1 1 1 21387 1 32841 1 1 1 1 60185 35504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9755 *956.9755* 956.9755@3.3953292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17456 1 1 1 33130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9755 *956.9755* 956.9755@5.289899 1 1 1 1 1 1 1 1 26956 38550 1 29335 47401 1 1 1 26442 1 1 1 1 1 36619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52153 1 1 33459 1 1 1 56480 1 1 39474 1 1 63311 1 1 63692 52127 72755 1 1 56888 43945 45250 1 1 1 1 1 51894 1 55756 1 1 40534 1 1 1 1 1 1 97598 1 1 1 1 1 1 1 1 956.9755 *956.9758* 956.9758@5.9735913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20260 1 1 1 1 1 1 1 1 1 1 1 42975 1 1 1 1 42529 1 1 1 52589 1 1 1 44822 1 1 1 1 1 1 1 1 42023 1 1 1 51879 1 30382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35045 956.9758 *956.9759* 956.9759@5.4015045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42454 1 1 1 1 1 1 1 1 1 42169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51273 1 1 1 1 1 1 1 1 956.9759 *956.9761* 956.9761@1.6478758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86866 1 1 1 1 1 1 1 1 956.9761 *956.9785* 956.9785@2.1342533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9785 *956.979* 956.979@2.2016609 1 1 1 1 1 1 1 1549421 64600 1 1 1 393929 1 208077 1 1 1 115264 1 1 159405 1 1 1 1 1 1 1 1 243164 1 1 1 1 286666 1 122638 1 1 1 1 1 1 1 304329 1 1 1 305479 1 1 1 223790 1 399994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194389 1 956.979 *956.9791* 956.9791@2.8009603 1 1 1 1 1 143559 1 113323 193147 1 1 1 235799 92980 73765 1 1 1 14817 1 1 503540 1 1 1 1 1 1 1 1 261227 1 1 1 1 171613 1 1 1 1 1 1 1 1 1 177924 1 1 114142 121100 1 1 1 90811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171872 286086 956.9791 *956.9792* 956.9792@2.02617 1 1 1 1 1 544425 1774548 2130771 631529 1 1 1 525263 603058 485445 1 1 1 528146 1 1 56573 1 1 1 1 1 1 1 1 502382 1 1 1186967 1 439240 1 756526 1 1 1 1 1 1 1 632415 1214898 1 507741 510672 1 1 1 545483 1 144633 1 1 1 1 1 1 1 1 1044850 1 441444 1 1 1 17579 1 1 1 1 1 1 1 1 1 1 1389954 1 1 1 1 1 1 1358130 1 956.9792 *956.9793* 956.9793@2.533555 1 1 1 1 1 1 1 159867 289025 1 1 1 125726 106584 1 1 1 1 48899 1 1 121079 1 1 1 1 1 1 1 1 44826 1 1 1 1 235238 1 1 1 1 1 1 1 1 1 94653 1 1 1 135617 1 1 1 217046 1 113598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136580 1 1 1 1 1 1 1 1 1 1 49655 1 1 1 1 1 1 154298 1 956.9793 *956.9793* 956.9793@2.6487927 1 1 1 1 1 1 1 1 140326 1 1 1 1 1 1 1 1 1 1 1 1 187723 1 1 1 1 1 1 1 1 1 1 1 1 1 82868 1 1 1 1 1 1 1 1 1 82059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114020 1 956.9793 *956.9793* 956.9793@2.0466661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 4494 1 1 2612 1 1 1 1 1 1 1 1 1 3381 1 1 1 1 6599 1 1 1 957.3569 *957.3585* 957.3585@2.3591638 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 1 5651 5836 1 1 1 1 1 1 1 1 1 1 1 1 1 6913 1 1 1 1 1 1 3225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8145 1 1 1 1 1 1 1 3908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.3585 *957.3852* 957.3852@2.816612 1 1 1 1 1 1 1 4055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.3852 *957.4303* 957.4303@1.9592146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4303 *957.4352* 957.4352@2.6317968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4352 *957.4461* 957.4461@2.6577337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6004 1 1 1 1 1 1 1 1 1 1 1 1 3662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4461 *957.4653* 957.4653@2.7341607 1 1 1 1 1 1 1 1 3624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3029 1 1 1 1 1 1 1 1 1 957.4653 *957.4655* 957.4655@2.4752128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4655 *957.481* 957.481@2.1927855 1 1 3975 1 1 1 1 1 1 1 1 1 1 2449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.481 *957.4844* 957.4844@2.73022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 2420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4479 1 2713 1 1 1 1 1 3026 1 1 2503 1 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 957.4844 *957.4952* 957.4952@2.7010937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2492 1 1 5579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.4952 *957.5056* 957.5056@2.0921142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6827 1 1 1 5922 957.5056 *957.5093* 957.5093@2.6078715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2079 957.5093 *957.5135* 957.5135@2.0410237 2478 3732 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 3756 1 1 1 1 1 1 1 1 1 4214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2918 1 1 1 1 1 1 1 1 1 1 2644 1 1 1 4401 1 1 1 1 1 3778 1 1 1 1 1 1 1 1 1 1 1 1 957.5135 *957.517* 957.517@2.7932165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 957.517 *957.5212* 957.5212@2.5270662 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 2815 1 1 1 1 1 1 2234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 2887 4654 1 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 5341 1 1 1 2462 1 1 1 1 2355 1 1 3658 957.5212 *957.5229* 957.5229@2.3095887 1 1 1 4483 1 1 1 1 1 1 1 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3909 1 1 1 1 1 1 1 1 957.5229 *957.5316* 957.5316@2.1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6120 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.5316 *957.536* 957.536@2.1809185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 1 1 1 1 1 1 5311 1 1 1 1 1 1 1 1 1 1 1 2554 1 2681 1 1 1 1 1 1 1 3171 1 1 1 1 1 1 3937 1 1 1 1 6639 1 1 1 1 1 1 1 1 1 4318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.536 *957.5427* 957.5427@2.541696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 4459 2026 1 1 1 1 1 1 1 957.5427 *957.5578* 957.5578@2.0310097 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.5578 *957.5746* 957.5746@2.5894268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.5746 *957.5894* 957.5894@2.2059693 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 3538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 6775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3055 1 1 1 1 1 957.5894 *957.5922* 957.5922@2.0086613 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4265 1 1 957.5922 *957.594* 957.594@2.654582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1 1 1 957.594 *957.6078* 957.6078@2.5125854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4712 1 1 1 1 1 1 1 1 1 5240 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 2138 1 1 1808 1 1 1 1 1 1 1 3472 1 1 1 1 1 3455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 957.6078 *957.6153* 957.6153@2.0803797 1 1 1 1 1 1 1 1 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5311 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6153 *957.6164* 957.6164@2.0984497 2832 2736 3064 2584 2092 1860 1 1 6869 2752 3601 3526 1 1 2328 1 3616 1 1 1 3365 1 1 1 1 1 1 1 1 4941 1 1 1 5356 2448 1 1 1 1 1 3536 3996 3591 1 1 1 1 6316 1 2127 6334 1 2927 1 1 1 1 1 3708 1 3759 1 5989 1 1 3967 1 1 1 1 3189 1 3249 1 2170 2245 2725 1 2934 1 2520 1 1 1 5407 6125 1 1 1 1 957.6164 *957.6187* 957.6187@2.5413594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 3201 1 1 1 1 1 1 1 2413 1 1 1 1 1 1 1 1 1 1 2049 1 1 1 1 1 1 1 1 1 1 1 1 957.6187 *957.6279* 957.6279@2.1004255 4974 1 1 4498 1 2516 1 1 1 7112 1 1 1 1 1 5771 1 1 2681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5604 1 1 1 1 1 1 3649 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 1 1 3072 1 1 1 2778 1 1 1 4203 1 1 1 1 1 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6279 *957.6363* 957.6363@2.18693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6363 *957.6571* 957.6571@2.0972672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 1 1 1 1 2491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6571 *957.6587* 957.6587@2.3237169 1 1 2724 1 1 1989 1 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 1 1 1 1 1 1 1 1 2720 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6587 *957.675* 957.675@2.2993996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4329 1 1 1 1 1 1 1 1 1 1 1 3761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 957.675 *957.6848* 957.6848@2.0055277 1 1 1 1 1 5411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3093 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6848 *957.6966* 957.6966@2.3748684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 1 1 1 1 1 1 1 3309 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6966 *957.6974* 957.6974@2.122749 1 1 1 1 3139 1 1 2515 1 1942 1 1 1 1 1 1 2009 1 1 1 4496 1 1 1 1 1 1 2638 1 1 1 1 1 2238 1 3015 1 3334 1 1 3331 1 1 1 2115 1 1 1 1 1 3712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6974 *957.7134* 957.7134@2.2401018 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7134 *957.7194* 957.7194@2.0379267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7194 *957.7352* 957.7352@2.2289505 1 2953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2109 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7352 *957.7421* 957.7421@2.725886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7421 *957.7478* 957.7478@2.2694716 1 1 1 1 1 1933 1 1 1 2746 1 1 1 3480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7478 *957.7647* 957.7647@2.015447 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7647 *957.7738* 957.7738@2.1986318 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7738 *957.7814* 957.7814@2.0443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.7814 *957.9783* 957.9783@0.67863476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9783 *957.98* 957.98@2.3088975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20796 1 1 1 1 1 1 1 1 957.98 *957.9803* 957.9803@2.0763888 1 1 1 1 1 1 1 14390 1 1 1 1 1 32565 11802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9803 *957.9803* 957.9803@2.839336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9803 *958.3328* 958.3328@2.3952107 1 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3328 *958.3355* 958.3355@2.1914694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2751 1 1 1 1 2160 1 1 1 1 1 1 2436 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3355 *958.3387* 958.3387@2.0606108 1 1 1 1 1 1 1 1 1 1 5493 1 1 1 1 1 1 1 1 1 1 1 2677 1 2350 1 1 1 1 1 2561 1 6896 1 1 6156 1 1 1 1 4406 1 1 5508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4403 1 1 1 1 1 1 1 1 1 1 1 2636 2401 1 1 1 1 1 1904 1 1 1 1 1 1 958.3387 *958.3529* 958.3529@2.6209486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3529 *958.364* 958.364@2.0463357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 1 1 4040 1 1 1 1 6902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.364 *958.3669* 958.3669@2.198761 1 2296 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1962 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5983 1 3028 1951 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3669 *958.3785* 958.3785@2.2537358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3785 *958.3917* 958.3917@2.0768998 1 1 1 1 2678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3534 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 3775 1 1 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.3917 *958.4272* 958.4272@2.092348 1 1 1 1 1 1 1 1 1 1 1 4544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1971 1 2618 1 1 1 1 1 1 1 1 1 1 5064 1 1 1 1 1 1 1 1 1 1 2441 1 958.4272 *958.4431* 958.4431@2.0513365 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 2278 1 1 1 958.4431 *958.4834* 958.4834@2.043864 1 1 1 1 1 1 7927 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2435 1 1 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2896 1 1 1 1 1 1 1 958.4834 *958.5042* 958.5042@2.0323043 1 1 1 6688 1 1 1 1 1 1 3426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2161 1 1 1 1 1 1 1 1 3257 1 1 4993 1 1 1 1 1 1 5825 1 1 1 1 1 1 1 2034 1 1 1 1 1 1 1 1818 1 1 1 1 1 1 1 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2095 958.5042 *958.5132* 958.5132@2.0524323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2869 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5132 *958.5318* 958.5318@2.0130908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5318 *958.5542* 958.5542@2.0188663 1 1 1 1 1 1 1 1 1 1 1 1 1 3987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5542 *958.5836* 958.5836@2.047033 1 1 1 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5836 *958.5954* 958.5954@2.0467944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.5954 *958.6133* 958.6133@2.0158386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4632 1 1 1 1 1 1 1 1 1 1 1 958.6133 *958.6525* 958.6525@2.0451262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1 1 1 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3809 1 1 1 958.6525 *958.6888* 958.6888@2.0272498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5707 1 1 1 1 1 1 1 1 1 1 1 1 958.6888 *958.7045* 958.7045@2.071303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4805 1 1 1 1 1 1 1 1 1 1 1 1 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.7045 *958.9717* 958.9717@3.657 1 1 1 1 1 1 1 3512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9717 *958.9724* 958.9724@1.4600109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9724 *958.9724* 958.9724@3.1850164 1 1 1 1 1 1 1 1 9292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9724 *958.9726* 958.9726@4.0072203 1 1 1 1 1 1 13339 4340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9726 *958.9726* 958.9726@1.6175531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4683 1 1 1 1 1 1 6462 1 1 1 1 1 1 1 1 14378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26922 1 1 1 1 958.9726 *958.9727* 958.9727@0.66185504 1 29590 1 1 1 1 1 25487 1 1 1 1 1 1 22056 1 1 1 1 1 1 1 25857 1 1 33828 1 1 1 1 1 1 1 16338 1 1 1 1 1 1 1 1 1 33493 1 1 20115 1 1 1 1 1 19620 1 1 1 1 1 1 1 1 1 1 1 20246 50652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36415 1 1 1 1 1 1 1 958.9727 *958.9727* 958.9727@1.0983957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9727 *958.9731* 958.9731@5.2822595 1 1 1 1 1 16121 1 8732 1 1 1 1 1 1 1 10170 1 1 1 1 1 1 7292 1 14951 1 1 1 1 1 1 10590 1 1 1 1 1 1 14607 1 1 16512 1 1 16152 1 1 1 1 1 1 19182 1 1 15316 1 1 1 14307 18116 1 1 1 1 14365 10845 1 1 1 1 1 1 1 1 1 1 14387 27631 1 1 1 1 1 12667 1 1 1 1 1 1 958.9731 *958.9734* 958.9734@5.3321557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9734 *958.9738* 958.9738@6.2581477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9738 *958.9753* 958.9753@2.269536 1 1 1 1 1 1 1 1 1 1 1 1 1 68971 35703 1 1 1 12732 1 1 63381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112793 1 1 1 1 1 1 1 23122 1 1 1 1 1 1 1 1 1 20893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78472 1 958.9753 *958.9753* 958.9753@2.175484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9753 *958.9754* 958.9754@2.8006856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79913 1 79205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9754 *958.9756* 958.9756@2.763791 1 1 1 1 1 57522 1 1 1 1 1 1 83198 1 1 1 1 1 151689 1 1 44141 1 1 1 1 1 1 1 1 25171 1 1 1 1 129072 1 58964 1 1 1 1 1 1 1 113329 1 1 1 1 1 1 1 1 1 39491 1 1 1 1 1 1 1 1 1 1 59082 1 1 1 1 1 215908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9756 *958.9757* 958.9757@2.62283 1 1 1 1 1 1 1 1 1 1 1 1 23276 1 12817 1 1 1 37899 1 1 38785 1 1 1 1 1 1 1 1 1 1 1 1 1 16230 1 68169 1 1 1 1 1 1 1 58250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9757 *958.9759* 958.9759@2.567709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9759 *959.3206* 959.3206@1.9947814 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.3206 *959.3353* 959.3353@2.1721172 1 1 3690 1 1 1 1 1 6176 1 1956 1 2343 1 1 1 1 1 1 1914 3360 1 1 1 1 1 1 1 1 1 1 2708 3013 1 1 1 1 1710 1 1 2489 1 2397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3065 1 1 1 1 2016 1 1965 1 1 1 2307 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 1 959.3353 *959.3385* 959.3385@2.329379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 959.3385 *959.3557* 959.3557@2.0568542 1 1 2421 1 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 2812 1 1 1 1 2179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3197 1 1 1 1 1 1 3501 1 1 1 1 1 1 2747 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1815 1 1 1 959.3557 *959.3676* 959.3676@2.307108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.3676 *959.3696* 959.3696@2.0555134 1 1 1 1 1 1 1 1 1 1 1 1 1 2477 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2909 1 1 1 3011 1 1 1 1 1 1 1 1 1 1 1 959.3696 *959.3992* 959.3992@2.0900903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2116 1 1 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418 1 1 1 1 1 1 1 3257 1 1 3090 959.3992 *959.4222* 959.4222@2.0152347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4164 1 1 1 1 1 1 1 1 1 1 1 1 1 4108 1 1 1 1 1 1 1 1 1 1 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4222 *959.4363* 959.4363@2.004263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4363 *959.4407* 959.4407@2.0415173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 959.4407 *959.4781* 959.4781@2.065611 1 1 1 1 1 1 1 1 1 1 1768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4781 *959.4877* 959.4877@2.0347078 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.4877 *959.5001* 959.5001@2.0816448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3244 1 1 1 1 1 1 1 1 1 959.5001 *959.6269* 959.6269@2.0336576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2856 1 1 1 1 1 1 1 1 1 959.6269 *959.9739* 959.9739@0.66328526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8215 1 1 1 1 1 1 7221 1 1 1 1 1 1 1 1 1 1 1 6773 1 1 1 1 1 1 1 1 1 1 1 1 1 8840 1 1 1 1 1 1 1 1 1 959.9739 *959.9758* 959.9758@2.2206655 1 1 1 1 1 1 1 1 1 1 1 1 1 4299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6003 1 1 1 1 1 1 1 1 1 1 1 6141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9758 *959.9761* 959.9761@2.7463195 1 1 1 1 1 1 1 22950 3191 1 1 1 1 1 40810 1 1 1 30605 1 1 18223 48847 1 1 1 28830 1 1 1 1 1 23866 21231 1 1 1 7826 1 1 1 15490 1 29413 1 6102 21217 45742 1 1 1 1 1 1 1 9279 1 1 1 33329 1 1 1 1 19759 1 1 1 1 1 15326 1 1 1 1 1 17359 1 1 1 1 50263 1 38455 1 1 1 23784 1 1 959.9761 *959.9763* 959.9763@2.1283772 1 1 1 1 1 10773 1 19090 11311 1 1 30708 1 3767 1 53476 1 1 8036 1 1 1 1 1 1 1 1 1 1 1 1 39566 1 1 1 23356 1 1 1 1 1 1 1 1 1 1 1 1 1 38365 1 1 1 25551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9763 *959.9766* 959.9766@2.5038183 1 1 1 1 1 2641 1 1 5028 1 1 1 3331 1 5349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8506 1 1 1 4439 1 1 1 1 1 1 1 1 1 1 1 3240 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9766 *959.9767* 959.9767@2.2962794 1 1 1 1 1 1 1 1 8157 1 1 1 1 4418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14302 1 959.9767 *959.977* 959.977@2.6811905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.977 *960.9769* 960.9769@2.7618103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.9769 *960.9776* 960.9776@2.035248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7567 1 1 1 3409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 10985 1 1 1 1 1 1 1 7922 1 1 1 1 1 1 1 1 1 1 1 1 1 8650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5330 1 960.9776 *963.8342* 963.8342@5.4841995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1 2256 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1911 1 1 2650 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 963.8342 *964.5323* 964.5323@1.027303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6933 6652 4390 4541 1 3373 1 1 1 1 4025 3854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 4022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6945 7309 1 1 964.5323 *967.0079* 967.0079@9.843676 1 1 1 1 1 1 1 1 1 1 1 1 203227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.0079 *967.0079* 967.0079@3.0058265 1 1 1 1 1 409101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.0079 *967.0079* 967.0079@1.1858275 1 1 1 1 1 1 1 1 1 1 1 1 289179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.0079 *967.008* 967.008@0.68555355 1 1 1 1 1 517556 1 705201 1438011 1 1 1 891176 1 1412720 1 1 1 1 1 1 848334 1 1 1 1 1 1 1780181 1 929788 1 1539591 905710 1 1 1 1832724 1 1 1 1 1718151 1 1 1070458 1 1 1324289 1 1 1 1 1118961 1 1804568 1 1 1 1 1 1 1 1 1 1 2248930 1 1 1 947454 1 1 1 1 1 1 1 1 1 2715137 1 1 2102883 1 1 1 1 1595709 600633 967.008 *967.008* 967.008@0.9573589 2793373 1 1 1 1 100894 1834074 1926853 2145716 2451064 1 1 281892 199481 1 2165323 1 1 1888745 1 1 2009078 1 1555256 1 1 1 1 1 1 165589 1 1 1476639 1 1 1 1846153 1 1 1 2105485 1 1 2282525 2340230 2312332 1 2230051 732576 1 1 1 509913 1 1 1 1 1 1 1 1 1 1 1 1 1569989 1 1 1 747098 2546544 1 1 1 1 1 1 1 1 1367061 351172 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.0231164 1 1 1 1 1 1785770 1 1347886 1 1 1 1 216165 1627894 445485 1 1 1 1350985 1461023 1 1 1 1 1 1 1 1 1 1 2231380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231286 1 1 1 523106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150962 1 1 1 1 1 1 1 1 1 1 1981597 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.1393019 2986766 1 1 1 1 468257 1 727529 148266 968969 1 1 822813 1 1 1 1 1 557098 1 1 650543 1 1 1 1 1 1 1 1 1 1 1 924572 1218262 1 1 1653811 1 1 1 1 1 1 1 1002195 1 1 1 2087890 1 1 1 1485666 1 1 1 1 1 1 1 1 1 1 1 1 1619989 1 1 1 3002631 1875016 1 1 1 1 1 1 1 1 1 2243794 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.3174306 1 1 1 1 1 297044 1 615066 148487 1 1 1 267254 1 109693 1 1 1 1 1 1 325497 1 1 1 1 1 1 1 1 1039039 1 1 1 1 458784 1 1 1 1 1 1 1 1 1 1 1 1 1 1218954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2297592 1 1 1 1 1 1 1 1 1 1 506350 1 1 1 1 1 1 143922 1 967.008 *967.008* 967.008@1.536497 1 1 1 1 1 353307 1 560430 805710 1 1 1 1 229295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027154 1 1 1 1 504275 1 223419 1 1 1 1 1 1 1 448878 1 1 1 1 1 1 1 479926 1 497005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138585 1 1 1 1 1 1 1 1 1 1 637115 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@5.064187 1 598963 1553120 586198 1465590 481846 387099 483757 498852 949138 1 1 277810 1 1 1 1 1 631704 1 1 1 1 1 1 547649 1 1 1 1 510454 1 1 1 1 573405 1 1473137 761063 1 1 1391927 1 1477123 1 570539 733356 1 1 861483 1 1 643596 1 572794 642754 1 1 1 1 1 1 1 1 454642 1 691505 1 1 548093 646222 1 1362461 1 647820 1 1 1 1 1 1 1 1 1 567451 1 792194 392533 1 1 967.008 *967.008* 967.008@1.9092436 1 1 1 1 1 337469 1 1 1 1 1 433778 1 1 1185282 1 1 1 1 1 1 2222794 1 1 1 1 1 1 1 1 1384925 1 613926 1 1 811853 1 374509 1 1 1 1 1 1 1 1007232 1 1 1 1945524 1 1 1 1185901 1 1 1 1 1 1 1 1 1 1 1 1 940696 1 1 2173973 1284504 1 1 1 768896 1 1 1 1 1 1 729096 1 1 1137338 1 1 1 1 1 967.008 *967.008* 967.008@5.1253605 1 840524 1 1 1 1 1 1 1 606149 1 1 1 1 1 1 1 1 991230 1 1 1 1 1 1 493864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787718 1 1 1 904026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.7738818 1 1 1 1 1 174235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117532 1 1 1 1 885773 1 175957 1 1 1 1 1 1 1 976354 1 1 1 1 1 1 1 799561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@2.9688146 1 1 1 1 1 280057 1 1 1 473336 1 1 248503 581883 1 1 1 1 1 1 1 991510 1 1 1 1 1 1 1 1 1 1 1 1 1 422820 1 309424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 856423 1 564221 1 1 1 1 1 1 1 1 1 1 187442 1 1 1 357252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@5.620284 1 572021 1 1 1 526174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600180 1 1 1 1 1 1 1 1 1 1 608680 1 1 1 645973 612024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620344 1 1 1 1 1 1 1 1 1 1 550178 1 1 1 1 1 1 1 1 1 1 1 796037 1 1 1 1 967.008 *967.008* 967.008@6.427726 1 1 1 1 1 244844 1 1 1 1 1 1 1 1 1 1 1 1 1 385423 1 1 1 1 1 1 1 1 316529 1 1 412621 1 286207 1 1 1 1 1 1 1 349137 1 1 1 1 1 1 1 1 1 1 1 1 260427 1 1 1 1 1 1 1 1 1 1 1 1 1 351923 1 1 1 279348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@6.5049815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626396 1 1 1 1 1 532377 1 1 1 1 1 1 1 1 1 1 610141 1 681272 1 460076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.5257441 1 1 1 1 1 356156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224949 1 204607 1 1 1 1 1 1 1 263233 1 1 1 1 1 1 1 217223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540069 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@10.515278 1 1 1 1 1 1 1 1 1 1 1 1 1 94437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86306 1 967.008 *967.008* 967.008@2.1962101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.7886792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187814 1 1 1 1 1 1 1 275482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@11.139389 1 1 1 1 1 94248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128730 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@0.70897377 1 1 1 1 1 140605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2089903 967.008 *967.008* 967.008@2.8408787 1 1 1 1 1 171707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@2.8848643 1 1 1 1 1 285061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.7198315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.3762* 967.3762@0.6994344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3762 *967.38* 967.38@3.8524382 1 13576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.38 *967.3802* 967.3802@1.6849091 1 1 1 1 1 1 1 1 1 1 17372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3802 *967.3803* 967.3803@1.0216489 1 1 1 1 1 1 1 1 1 1 1 1 15326 1 1 1 1 1 1 50188 1 1 1 1 1 1 1 1 1 1 1 38234 1 1 1 1 1 1 1 1 1 1 1 26077 44213 1 1 1 1 28872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3803 *967.3807* 967.3807@1.7792174 1 1 1 1 1 1 1 1 1 1 24986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22957 1 1 1 1 21431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3807 *967.3841* 967.3841@3.1874914 16159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15145 1 1 1 1 1 15651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3841 *967.3847* 967.3847@1.220386 1 1 1 1 1 1 1 27255 1 1 1 1 1 15064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3847 *967.3861* 967.3861@1.1022311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3861 *967.3862* 967.3862@1.0080122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3862 *967.4869* 967.4869@2.8142035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 967.4869 *967.5372* 967.5372@5.0760474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9903 1 1 1 1 1 1 967.5372 *967.5512* 967.5512@2.4308662 1 1 3005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.5512 *967.5519* 967.5519@4.16911 1 1 1 1 1 1 1 1 1 1 1 1 6893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.5519 *967.554* 967.554@2.0241506 3885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.554 *967.5542* 967.5542@5.0793014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.5542 *967.5578* 967.5578@3.1410828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.5578 *967.6329* 967.6329@9.533 1 1 1 1 1 1 1 3474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6329 *967.6359* 967.6359@1.3799417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6359 *967.6396* 967.6396@0.7462193 1 1 1 1 1 1 1 1 1 1 1 1 1 6295 1 1 1 1 1 1 1 1 1 1 1 11248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10539 12482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12372 1 1 1 1 1 1 1 967.6396 *967.6418* 967.6418@3.1411662 1 1 1 1 1 1 1 1 1 1 1 1 9744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6418 *967.6487* 967.6487@1.0611227 1 1 18934 1 1 1 13001 1 1 1 1 1 1 3205 1 1 1 1 20780 1 1 1 1 1 1 11401 1 1 1 1 1 16726 1 1 1 1 1 1 1 17992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18423 17403 1 1 1 1 1 24756 1 1 1 1 1 1 1 12471 1 1 1 1 1 1 1 1 1 1 1 1 967.6487 *967.6517* 967.6517@12.330393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6211 1 1 1 1 1 1 1 1 5421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6517 *967.6614* 967.6614@1.8066912 1 1 1 1 1 1 1 1 1 1 1 1 11297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12208 1 1 1 967.6614 *967.6793* 967.6793@12.159961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6793 *967.6816* 967.6816@2.9223635 1 9245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6816 *967.6922* 967.6922@0.8493686 1 1 1 1 1 1 1 1 1 1 1 1 1 4107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6922 *967.7252* 967.7252@1.1885529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14855 1 1 1 1 1 1 1 1 1 1 14864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17084 1 1 1 967.7252 *967.7257* 967.7257@0.93225443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.7257 *967.7392* 967.7392@1.0428082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.7392 *967.7434* 967.7434@1.5506003 1 1 1 1 1 1 1 1 1 1 1 12801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.7434 *967.7489* 967.7489@0.94138426 1 13650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.7489 *967.788* 967.788@0.98764056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.788 *967.7946* 967.7946@1.0652726 1 1 1 1 1 1 1 1 1 1 1 1 10713 1 1 1 1 1 1 1 1 1 1 9164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14737 1 10565 1 1 1 1 1 1 1 1 967.7946 *968.0089* 968.0089@5.122675 1 1 1 1 1 1 1 1 1 1 1 1 140061 1 1 1 1 178643 1 1 1 1 1 220026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318255 1 1 1 1 1 1 1 1 1 968.0089 *968.0091* 968.0091@5.0355887 1 1 1 1 1 1 1 1 1 1 1 1 80238 1 101752 1 1 1 1 1 1 1 1 120507 1 1 1 1 1 1 1 1 79890 1 1 1 1 1 1 1 1 1 101284 1 1 1 1 1 1 1 1 1 1 142744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0091 *968.0092* 968.0092@0.88099843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0092 *968.0092* 968.0092@2.9292116 1 1 1 1 1 1 1 1 1 140577 1 1 1 81853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0092 *968.0093* 968.0093@0.7673148 1 1 1 1 1 1 1 368369 1 1 1 1 1 1 63443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38720 1 1 1 1 1 1 1 1 968.0093 *968.0094* 968.0094@1.8655186 1 1 1 1 1 1 1 1 1 1 1 1 1 68393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123217 1 274181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291400 1 1 1 1 1 1 1 1 968.0094 *968.0095* 968.0095@1.3969759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0095 *968.01* 968.01@1.0906904 1 1 1 1 1 437770 436897 1 1 1 1 1 549230 1 396855 1 1 1 1 1 1 456022 1 1 1 1 1 1 1 1 386212 1 1 1 1 1 1 91361 1 1 1 1 1 1 1 219379 1 1 1 179520 1 1 510434 1 1 874761 371690 1 1 1 1 1 1 1 1 1 1 1 1 1 194903 1 473615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700437 1 968.01 *968.3784* 968.3784@1.6039569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7594 1 1 1 1 1 1 1 1 1 1 1 1 1 968.3784 *968.3891* 968.3891@1.0641812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6894 11107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12640 1 1 1 1 1 1 1 1 968.3891 *968.4011* 968.4011@1.0488268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.4011 *968.4447* 968.4447@3.5403566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.4447 *968.4826* 968.4826@3.6137202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.4826 *968.4841* 968.4841@0.7415897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.4841 *968.4952* 968.4952@1.8797184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5076 1 1 1 1 1 1 1 1 1 1 1 968.4952 *968.5076* 968.5076@0.8145728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5076 *968.5254* 968.5254@1.2359779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5254 *968.5426* 968.5426@1.0514288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15470 1 1 968.5426 *968.5597* 968.5597@1.021322 1 1 1 9205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13007 1 1 1 968.5597 *968.5711* 968.5711@1.7111104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5711 *968.5981* 968.5981@0.75276345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5981 *968.6078* 968.6078@1.3505449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5725 1 1 1 968.6078 *968.6327* 968.6327@0.98229504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10275 1 1 1 1 1 1 6569 1 1 1 1 1 1 7631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.6327 *968.651* 968.651@0.6745221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.651 *968.6526* 968.6526@1.115211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9222 1 10596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8129 1 1 6660 1 1 1 1 8611 1 1 1 1 9700 968.6526 *968.6723* 968.6723@1.1286986 1 1 1 1 1 1 1 1 1 13195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9700 1 1 1 1 1 1 1 1 1 1 1 968.6723 *968.6983* 968.6983@1.1613861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.6983 *968.7106* 968.7106@1.140748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7615 1 1 1 968.7106 *968.7277* 968.7277@1.4014972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8905 1 1 1 1 1 968.7277 *968.7374* 968.7374@0.98994195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.7374 *968.7445* 968.7445@0.6668038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12161 1 1 1 1 1 1 1 1 1 968.7445 *968.7597* 968.7597@1.191223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7849 968.7597 *968.7783* 968.7783@0.7178813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6563 1 1 1 968.7783 *968.7829* 968.7829@1.1955945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.7829 *968.7934* 968.7934@1.0150037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.7934 *968.8055* 968.8055@1.4599222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8055 *968.8297* 968.8297@1.729381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8297 *968.8354* 968.8354@1.2428933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8354 *968.8447* 968.8447@1.9222955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8447 *968.8477* 968.8477@0.97646785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8477 *969.0085* 969.0085@1.9196916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0085 *969.0087* 969.0087@6.4911814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0087 *969.0089* 969.0089@1.5038334 1 1 1 1 1 1 1 1 1 1 1 1 1 7404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8799 1 1 1 1 1 1 1 1 1 1 29177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0089 *969.0093* 969.0093@1.7643582 1 1 1 1 1 14618 1 1 6305 1 1 1 1 11012 1 1 1 1 1 1 1 11796 1 1 1 1 1 1 1 1 11206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9668 1 1 1 17515 1 1 1 1 1 23008 1 1 1 1 1 1 1 1 1 1 14281 1 1 1 27352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39530 15746 969.0093 *969.0094* 969.0094@2.941398 1 1 1 33179 1 1 1 1 1 1 1 1 19229 1 1 1 1 1 15972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16145 41433 1 1 1 1 1 1 1 1 1 1 1 1 50624 1 1 1 1 1 1 26474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0094 *969.0094* 969.0094@5.091608 1 1 1 41317 16994 40598 1 1 1 1 1 22426 1 17845 1 1 23186 1 54170 1 1 1 1 1 24579 1 1 1 1 1 1 1 1 1 1 1 16307 1 1 1 1 1 1 19190 1 1 1 20824 1 1 36548 28331 1 1 43274 49453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0094 *969.0095* 969.0095@0.7467515 1 1 1 1 1 1 79479 1 21832 1 1 1 1 13640 35914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0095 *969.0096* 969.0096@5.079094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0096 *969.0097* 969.0097@1.1797372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0097 *969.0098* 969.0098@1.1435833 1 1 1 1 1 1 1 26040 1 41230 1 1 1 1 11562 1 1 1 1 62747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8314 1 1 76198 55463 1 1 1 1 1 1 1 1 1 1 1 40997 1 1 1 1 7188 57854 1 1 88242 1 1 1 1 1 1 1 1 1 85660 1 1 67136 1 1 57354 1 1 1 969.0098 *969.2855* 969.2855@0.95866257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.2855 *969.2973* 969.2973@2.9887278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.2973 *969.3353* 969.3353@3.0346222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3353 *969.3479* 969.3479@1.6422173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3479 *969.3507* 969.3507@1.1820267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3507 *969.3605* 969.3605@1.5555456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3605 *969.3635* 969.3635@3.0216618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3635 *969.3738* 969.3738@1.2814989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4225 1 1 1 1 1 1 6517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3738 *969.3783* 969.3783@1.2326092 1 1 1 1 1 1 1 1 1 4378 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5604 1 1 1 1 1 1 1 1 969.3783 *969.3853* 969.3853@0.9736308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3853 *969.4071* 969.4071@1.0712979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5423 1 1 6150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4722 1 1 1 1 1 1 1 1 1 1 969.4071 *969.4166* 969.4166@0.66964805 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4166 *969.4267* 969.4267@1.0621043 1 1 6091 1 1 1 1 1 5064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9954 1 1 1 1 5602 969.4267 *969.444* 969.444@1.0807651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3673 1 1 1 1 1 1 1 1 1 969.444 *969.4487* 969.4487@1.1108835 1 1 1 1 1 1 1 1 1 1 1 1 8231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4064 1 1 1 1 1 1 1 1 1 1 1 4007 1 1 1 1 1 1 1 1 1 1 1 969.4487 *969.4722* 969.4722@1.3750893 1 1 1 1 1 1 3671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4722 *969.4843* 969.4843@1.5534189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4843 *969.4844* 969.4844@1.1698017 1 1 1 1 1 1 1 1 1 1 5080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4844 *969.5049* 969.5049@1.3744249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5049 *969.5077* 969.5077@0.652 1 1 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5077 *969.5278* 969.5278@0.9640746 1 1 1 1 1 1 4933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5278 *969.5326* 969.5326@1.0633835 1 1 1 1 1 1 5527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5326 *969.55* 969.55@1.083395 1 1 1 1 1 1 1 1 7105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6557 1 969.55 *969.5635* 969.5635@1.0584977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4169 4268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5635 *969.5644* 969.5644@1.3902707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5644 *969.5757* 969.5757@1.6107392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5757 *969.5857* 969.5857@1.0056481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6544 1 4285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4583 8302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5857 *969.6009* 969.6009@1.0373257 1 1 1 1 1 1 1 1 3716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.6009 *969.616* 969.616@1.0298549 1 1 1 1 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.616 *969.6395* 969.6395@1.0784239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4884 1 1 1 1 1 1 1 1 1 4993 1 1 1 1 1 1 1 969.6395 *969.6634* 969.6634@1.0340155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4686 1 969.6634 *969.6769* 969.6769@0.70783454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1 1 1 1 1 1 1 1 1 969.6769 *969.6785* 969.6785@1.4025278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.6785 *969.7492* 969.7492@0.99651676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2929 1 1 1 1 1 1 1 4638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.7492 *969.7667* 969.7667@1.1534911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.7667 *969.7731* 969.7731@1.0020603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 1 1 1 1 1 1 1 1 1 4585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.7731 *969.8029* 969.8029@0.9738731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.8029 *969.8201* 969.8201@1.0863864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3805 969.8201 *970.0098* 970.0098@1.0984935 1 8462 1 1 1 1 11559 7055 1 5094 4380 1 2992 1 1 1 1 11416 1 1 10867 3866 4475 1 1 1 1 1 1 1 2947 1 6324 1 1 1 1 2562 1 1 1 7493 1 1 1 1 1 1 1 1 1 1 1 1 8155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6281 7073 1 1 1 1 1 1 13770 1 970.0098 *970.0098* 970.0098@1.4702821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7887 1 1 1 1 1 1 970.0098 *970.0099* 970.0099@1.8873265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4389 1 1 1 7264 1 970.0099 *970.0104* 970.0104@0.64861816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.0104 *970.0105* 970.0105@1.0996394 1 1 1 1 1 1 1 1 1 1 1 1 3055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.0105 *970.0106* 970.0106@0.6784339 1 5554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10760 1 1 1 4888 1 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10936 11514 1 1 1 1 1 1 1 1 1 1 10919 1 1 1 1 1 1 1 1 1 970.0106 *970.0109* 970.0109@1.0279051 1 17550 1 1 1 1 1 1 1 1 1 1 7132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 6419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3412 1 1 1 1 1 1 8042 1 970.0109 *970.0111* 970.0111@2.929056 1 8613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4033 1 1 1 4277 1 1 9727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7799 1 1 1 1 970.0111 *970.1993* 970.1993@0.9710448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.1993 *970.2191* 970.2191@1.0216548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.2191 *970.2812* 970.2812@1.0055208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.2812 *970.2933* 970.2933@0.9696261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.2933 *970.3101* 970.3101@0.99235386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.3101 *970.3301* 970.3301@1.056394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.3301 *970.3533* 970.3533@1.1365006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3990 7888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4570 970.3533 *970.422* 970.422@1.0456189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8286 1 1 1 1 1 1 1 1 1 1 1 1 970.422 *970.4342* 970.4342@1.0508183 9637 8955 1 1 12854 9860 1 1 9548 11131 19622 18529 1 1 6281 5230 10071 8306 6059 6727 1 1 15628 11997 5821 1 1 1 22317 26447 7296 7142 23899 25170 1 1 12708 15533 1 1 8196 10091 7709 6638 6639 1 1 5502 4885 1 15362 15974 8142 7318 1 1 19239 18939 9377 9442 1 4858 1 1 9543 9689 1 6249 1 1 24364 24613 1 1 1 6708 1 1 27452 26837 25640 25845 20381 18037 1 9751 1 1 10995 11976 970.4342 *970.5907* 970.5907@0.97863734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.5907 *972.4475* 972.4475@1.0649341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 972.4475 *974.6182* 974.6182@1.0622135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 974.6182 *976.6178* 976.6178@1.0656321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 976.6178 *976.6319* 976.6319@1.0617833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12132 6603 1 1 1 13395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7321 1 1 1 1 1 1 7495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11303 1 1 1 1 1 1 1 1 1 1 976.6319 *978.2674* 978.2674@4.291278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 978.2674 *978.639* 978.639@1.0629412 1 1 1 1 4866 4794 1 1 1 1 1 5086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7074 1 1 1 1 1 1 1 1 978.639 *979.0378* 979.0378@1.8830795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5863 6208 1 1 1 1 4390 4674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5663 5003 1 1 979.0378 *979.9797* 979.9797@1.397831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8092 1 1 1 1 1 1 5661 1 1 1 1 1 1 979.9797 *979.9799* 979.9799@1.3077339 1 1 5936 4986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7206 1 1 1 2182 1 3957 1 1 1 1 9326 1 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 1 1 12064 1 1 15721 1 15057 15243 12748 1 1 1 1 1 8073 1 1759 1 1 1 11147 1 1 1 13985 13593 16461 1 12293 19761 1 1 8889 1 14869 8751 5444 9548 1 1 1 1 979.9799 *979.9803* 979.9803@1.467975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5544 1 1 5884 1 1 1 1 1 1 1 1 6608 1 1 1 1 1 1 6943 1 8242 1 1 1 13444 5400 8861 1 1 10316 10259 4297 1 1 1 1 6456 4710 6495 8280 1 1 1 1 1 1 8207 1 1 5329 13700 8971 9401 1 7876 7342 10045 1 13520 11464 12223 4892 1 979.9803 *979.9804* 979.9804@5.9264326 1 1 1 1 1 1 1 1 1 1 1832 1 1 2379 1 1 1 2321 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 5507 1937 2038 1 1 1 1 1 1 1 11990 1 2383 1 1 1 1 3317 5344 1 1 1 1 1 1 1 1 2103 8443 1 1 1 1 1 1 1 2825 2128 1 1 8335 1 2220 1 1 1 1 13373 1 1 14692 1 12163 4453 4056 1 1 979.9804 *979.9805* 979.9805@4.4132795 1 1 1 1 1 1 1 1 1 1 1 1 5500 4620 1 1 1 1 1 1 1 4417 1 1 1 11940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10947 1 1 6170 10406 4311 1 1 7441 1 1 1 1 1 1 1 1 1 1 1 4288 1 1 1 1 16551 1 1 1 1 1 1 11447 1 1 1 1 1 1 1 1 1 1 10482 1 979.9805 *979.9806* 979.9806@1.9277788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4692 1 1 8211 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7002 1 1 1 1 1 1 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 979.9806 *979.9811* 979.9811@0.9327845 8107 8248 4128 3989 1 1 5357 5448 8434 1 4104 3196 9028 1 7728 7444 4855 4475 1 3439 3582 3637 6095 1 7434 6428 1 1 2908 3169 1 2945 1 1 6296 6313 5141 5545 3779 4362 4138 4548 47036 42250 3809 3483 6310 5905 9606 1 9856 11069 9366 10849 3322 3821 8126 8231 88282 7467 7538 7233 1 1 710163 3708 5856 6261 9390 8382 8854 8859 1 1 10789 10117 12881 12322 451624 1 1 1 1 9473 13746 15620 6110 1 9135 9207 979.9811 *979.9812* 979.9812@5.280156 1 1 1 14281 5204 1 12973 1 1 1 1 1 1 1 1 1 3573 1 16188 1 1 1 1 16921 1 1 16030 1 1 1 1 1 1 1 1 1 12701 16500 1 1 1 1 1 1 1 1 24058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4138 1 1 1 1 1 1 1 1 1 1 1 1 1 3894 1 11723 1 1 1 22781 1 1 21126 1 1 979.9812 *979.9812* 979.9812@5.8895254 1 6391 1 1 1 1 1 1 4816 1344 4695 3618 2391 3843 4180 1 1 3834 1890 4679 4439 2340 2280 1 1 7809 6062 6870 1 4883 3490 4061 1 6525 6783 5376 5104 7041 6234 5856 1 7065 1 11629 13391 6094 7037 9775 1 1 9372 9168 1 7041 1451 11462 8546 10783 1 3376 6605 9788 1 2568 4476 1 7045 1 8017 10681 9403 3809 9414 2521 9939 8274 1 10272 5299 7640 8258 1 4585 10769 8051 6968 7509 5184 10848 1 979.9812 *979.9813* 979.9813@5.2214985 10259 11430 12412 1 1 1 1 1 7157 1 1 5787 1 14764 1 1 10314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7195 1 1 5935 10749 1 1 1 1 9536 1 1 1 19651 1 1 1 14770 6138 11515 1 12947 14834 1 6301 1 11524 17876 17607 1 1 16047 1 9569 1 6063 9400 1 10548 13013 23119 7563 1 7007 19622 9891 13873 6535 3019 1 1 19545 6617 1 1 1 1 6554 14492 979.9813 *979.9813* 979.9813@5.4133415 1 1 1 1 2925 1 9889 1 10520 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 12886 1 1 1 1 1 1 1 1 1 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6784 1 1 1 1 1 1 1 1 1 17191 15806 19448 1 1 14157 1 1 1 20544 1 1 1 1 1 1 979.9813 *979.9814* 979.9814@6.3367276 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3833 8153 1 1 1 4445 1 2332 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 5889 1 1 1 1 1 1 1 1 16069 1 1 1 1 1 1 1 1 1 2131 1 4606 1 1 1 5062 1 6989 1 979.9814 *979.9821* 979.9821@5.699984 7820 5996 5101 6378 4771 5668 5144 6332 8164 8482 5857 5365 7151 6084 7289 7502 8180 9339 6957 7657 6719 8679 5994 4449 10814 8789 6032 6178 7694 5603 6024 6614 6738 6163 9928 7708 7994 8073 8078 6017 7908 9149 15430 17873 11203 10011 10491 9651 10261 10988 11290 13967 11173 11681 10315 11317 10539 11814 11635 10790 9551 9800 9379 9560 6091 1 6334 9998 9936 11636 9787 10599 9512 10018 11754 10546 11147 10712 8509 8906 9855 8537 10388 11478 11205 12293 11826 10968 11686 13784 979.9821 *979.9827* 979.9827@4.677047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.9827 *979.9829* 979.9829@0.8123722 1 1 134619 1 1 1 141791 1 1 1 107986 1 1 1 1 182758 1 1 1 1 1 1 1 1 1 114395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121698 1 1 609489 403452 403153 1 1133786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174820 1 1 1 251754 1 1 1 298540 1 1 1 1 1 1 1 1 1 1 201024 1 1 172497 979.9829 *979.9838* 979.9838@0.76358736 1090560 1086616 675373 795159 367169 367152 395217 540517 1128858 1124299 441254 536361 1089774 1085089 987675 793635 797973 813652 471836 467987 635637 639859 916959 929269 714165 606965 555315 557156 513437 520651 470259 489252 108109 105670 907483 914870 624062 648926 793209 778370 737650 873037 2514805 1922233 2566 5526 1136512 2076 1241556 1268521 1032258 1017398 1629646 1620742 593178 594005 878914 909428 1052911 1129591 1315455 1302393 330673 328455 6776 687591 910022 730344 1287222 1316397 1369502 1128318 615438 620120 1533884 1237769 1302115 1316344 6586 462989 628115 613843 1742642 1751561 1498309 1499518 1191488 1390077 845470 662930 979.9838 *979.9886* 979.9886@1.8910763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.9886 *980.3539* 980.3539@0.77918637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1 7190 1 1 1 1 1 1 1 1 1 1 1 1 1924 5679 1 1 1 1 1 1 1 5543 1 1 1 1 1 1 3897 1 2785 1 1 1 1 1 980.3539 *980.3634* 980.3634@0.8033058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.3634 *980.4367* 980.4367@0.8020617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4594 1 1 1 1 1 1 1 1 1 1 1 1 980.4367 *980.4535* 980.4535@0.84431213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.4535 *980.4743* 980.4743@0.7435472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.4743 *980.5003* 980.5003@0.7827082 1 1 1 1 1 1 1 1 1 1 1 1 1 3782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2972 1 1 1 1 1 1853 1 1 1 1 1 1 980.5003 *980.5279* 980.5279@0.7856152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 3189 1 1 1 1 1 4926 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 6881 4873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.5279 *980.5754* 980.5754@0.77924013 1 1 1 1 1 1 1 1 4736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4690 1 1 1 980.5754 *980.624* 980.624@0.77385175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3984 8391 1 1 6370 1 1 1971 1 1 1 1 1 1 1 1 1 1 3279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5285 1 1 1 1 1 1 1 1 1 1 4828 1 1 980.624 *980.6357* 980.6357@0.7867604 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.6357 *980.6527* 980.6527@0.7772094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3914 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 980.6527 *980.6552* 980.6552@1.0615482 1 1 1 1 1 1 1 1 1 1 7792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17935 1 1 1 1 1 1 12543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27303 30252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17415 1 1 1 1 1 1 1 1 1 1 1 980.6552 *980.7157* 980.7157@0.7694267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5220 1 1 980.7157 *980.7235* 980.7235@0.7741778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6625 1 1 1 1 1 1 1 1 1 1 1 4341 1 1 1 980.7235 *980.7444* 980.7444@0.77612835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.7444 *980.9943* 980.9943@0.83409137 1 1 1 1 10724 7765 1 1 1 1 18009 13028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.9943 *981.0139* 981.0139@1.2261732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5615 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 981.0139 *981.0144* 981.0144@1.4047381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0144 *981.0153* 981.0153@1.3271549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0153 *981.0154* 981.0154@2.9568985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0154 *981.0157* 981.0157@1.8359963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7410 1 10521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0157 *981.0161* 981.0161@1.5591576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0161 *981.0162* 981.0162@0.65853584 1 1 1 1 1 1 1 1 1 1 18181 1 5390 1 13471 1 1 1 1 1 1 1 1 14049 1 15076 1 1 1 1 1 1 14673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5385 1 1 1 1 1 1 981.0162 *981.0163* 981.0163@1.8843561 1 1 1 1 4968 1 1 3179 3967 1 1 1 7538 11337 3008 1 1 1 1 1 1 1 1 1 1 1 13176 1 1 1 1 1 1 5026 7755 14549 1 1 5635 15373 1 5361 1 1 1 4951 1 1 1 8777 1 1 1 10080 1 12025 1 6303 1 1 1 10923 1 6894 7962 1 14692 1 1 1 3472 1 1 4388 10800 1 1 10304 1 1 1 4616 1 1 1 1 1 1 1 4027 981.0163 *981.0166* 981.0166@1.1192375 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 4089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6810 3107 1 1 6572 1 1 1 1 1 1 1 5315 1 1 6627 4972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 1 1 1 1 1 6061 1 981.0166 *981.0178* 981.0178@1.1528623 1 1 1 6462 1 10542 1 4833 1 1 7347 13659 2930 6713 2491 8601 8351 1 8443 7544 1 8959 1 3661 1 1 3645 1 5126 1 1 1 1 5103 7716 1 1 3775 1 1 1 10719 1 1 9242 7876 1 1 7834 4854 1 1 1 5608 1 4672 1 1 1 1 1 1 1 1 1 5006 8890 4166 1 1 16144 10428 1 1 8802 1 1 4627 1 1 8954 6173 1 4749 1 1 1 1 11683 1 981.0178 *981.0178* 981.0178@2.8945735 1 1 1 1 1 1 1 1 6557 1 1 1 1 1 1 1 1 1 4806 1 1 1 1 1 1 1 1 1 2506 1 4798 1 10638 1 1 3428 1 8099 1 1 1 1 1 1 1 1 1 1 1 2578 1 9708 1 1 1 4329 1 1 1 1 9650 3796 1 1 9214 1 1 4370 1 1 1 1 1 1 1 1 1 1 1 1 6859 1 1 1 1 11995 4328 1 1 1 981.0178 *981.0181* 981.0181@1.491915 1 1 1 1 1 2260 1 1 1 1 1 1 1 2346 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4472 1 4198 1 4774 1 1 1 1 1 1 1 1 1 1 2328 1 1 1 3190 1 1 4582 1 1 1 1 1 1 1 1 1 1 4044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0181 *981.0182* 981.0182@1.0006593 14926 1 1 1 15133 9240 1 10376 12721 1 7080 1 1 7351 6126 10805 1 1 6306 11821 10674 3892 1 17214 1 12376 1 17307 1 1 6659 17585 16375 11320 24119 21767 1 13873 1 1 1 1 1 1 17936 6720 15626 12132 12571 11265 7206 1 1 11177 1 17784 1 1 12219 1 1 1 1 17104 14661 13824 4085 1 1 13378 18029 14415 14652 1 1 1 1 1 14930 1 12350 9908 7459 13800 1 1 1 1 9749 7254 981.0182 *981.0191* 981.0191@1.0217583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0191 *981.3915* 981.3915@0.8073428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 1 3149 1 1 1 1 981.3915 *981.4332* 981.4332@0.7595549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.4332 *981.4398* 981.4398@0.7678141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3988 1 1 1 1 1 1 1 1 1 1 1 1 3953 1 1 981.4398 *981.4694* 981.4694@0.76399887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2869 3682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3941 1683 3091 1 1 1 1 1 981.4694 *981.4883* 981.4883@0.7574854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.4883 *981.5363* 981.5363@0.7530679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.5363 *981.5671* 981.5671@0.79688054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3561 1 1 1 1 1 1 981.5671 *981.6592* 981.6592@1.065833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3529 1 1 1 3683 3780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1 1 1 1 1 1 1 1 1 981.6592 *981.6697* 981.6697@0.7532591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2396 1 1 1 1 1 1 1 981.6697 *981.6945* 981.6945@0.76910985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.6945 *981.9868* 981.9868@0.8438857 1 1 1 1 1 1 1 1 1 1 1 1 5338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6794 1 1 1 1 1 1 1 7591 1 1 1 1 1 1 1 1 1 1 1 1 1 981.9868 *982.6653* 982.6653@1.0661004 1 1 1 1 3075 1 1 1 1 1 1 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12854 1 1 1 1 10464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12977 1 1 1 1 1 1 1 1 1 1 982.6653 *983.9933* 983.9933@1.0685866 1 1 1 1 1 13870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5707 1 1 1 1 1 1 1 1 983.9933 *983.9934* 983.9934@2.8864887 1 1 1 1 1 9762 1 17183 15705 1 1 17516 33591 19192 15428 31944 15371 43536 11496 1 1 1 1 31506 1 1 1 1 1 1 41363 35243 21721 17420 17883 35609 1 13462 1 1 1 1 1 1 1 1 1 26218 1 18606 1 24421 1 1 18954 1 1 1 1 1 1 15451 15480 1 15259 1 17424 1 1 1 1 1 1 1 1 26020 1 1 1 1 1 1 40596 27158 1 1 1 1 1 1 983.9934 *983.9935* 983.9935@1.1483624 1 1 1 1 1 6463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9935 *983.9936* 983.9936@3.0200489 1 1 1 1 1 1 1 1 10302 1 1 1 1 18322 1 1 1 1 1 8799 1 1 1 15256 1 1 1 1 1 1 1 1 1 1 30326 1 1 10368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9936 *983.9938* 983.9938@1.2981555 1 1 52028 38665 18156 9099 1 29468 11810 1 1 1 40258 1 6371 1 1 1 9479 1 1 10854 1 8192 29116 35187 82359 73685 45507 28601 65031 87105 11231 22524 1 1 70011 7131 83196 71397 1 24176 80850 77023 37320 24414 81646 77126 77348 71469 48647 18821 1 64395 103440 96727 54666 1 1 54346 1 69334 67632 89056 17364 1 21442 44135 1 1 1 1 72832 66697 1 1 66388 61017 39546 1 75673 80098 1 1 1 1 16254 1 9429 1 983.9938 *983.9938* 983.9938@2.1592367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8794 1 1 1 1 1 1 10615 1 983.9938 *983.9939* 983.9939@1.8573364 1 1 1 1 1 16563 1 1 1 1 1 1 1 1 1 1 1 1 21557 1 1 35961 1 1 1 1 1 1 1 1 18718 1 1 1 1 52727 1 43475 1 1 1 1 1 1 1 18956 1 1 1 28582 1 1 1 1 1 7817 1 1 1 1 1 1 1 1 1 1 44787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40175 1 1 1 1 1 1 54356 1 983.9939 *983.9939* 983.9939@1.6101322 1 1 1 1 1 5537 1 1 18434 1 1 1 9746 29522 1 1 1 1 1 1 1 11944 1 1 1 1 1 1 1 1 1 1 1 1 1 17382 1 10386 1 1 1 1 1 1 1 1 1 1 1 32166 1 1 1 40657 1 13151 1 1 1 1 1 1 41338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76625 1 1 1 1 1 1 22820 1 983.9939 *983.9939* 983.9939@0.81135106 1 1 1 1 1 3445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9939 *983.994* 983.994@1.4645154 1 1 1 1 1 49237 41854 13439 12511 37185 1 1 51265 75704 23223 31371 46461 48203 22875 32339 1 29166 1 50947 42533 1 75627 1 1 21566 70458 1 69698 75214 15203 14159 82163 86219 1 69454 63298 1 88400 1 70473 55393 98670 86214 53827 59658 72586 37104 1 74413 85288 82152 78124 1 90462 10484 43567 1 74795 1 34460 67448 78510 29706 54619 27666 12307 1 61197 59096 100709 100419 87525 82866 81520 67857 90467 75572 49279 47200 85620 70216 76210 68145 11058 1 983.994 *983.994* 983.994@1.7590647 1 1 1 1 1 14564 1 23631 122007 1 1 1 14856 8728 25949 1 1 1 35559 1 1 5206 1 20146 1 1 56515 1 1 1 53136 1 1 1 1 17680 37223 27950 1 1 1 1 1 1 1 36335 1 1 126427 29146 1 1 1 1 1 13558 1 1 1 1 1 1 1 1 50407 1 40246 1 1 1 25525 1 1 1 1 1 1 1 1 61390 1 13435 1 1 1 1 1 1 22546 1 983.994 *983.9941* 983.9941@1.3614016 1 1 1 1 1 22050 1 1 20710 1 1 1 1 1 12860 1 1 1 1 1 1 23047 1 1 28434 1 1 1 1 1 26256 1 35672 1 1 1 1 80659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18970 1 1 1 1 32823 1 48147 1 1 1 1 1 1 50222 1 1 1 27550 45123 1 1 1 1 1 1 1 1 1 1 1 983.9941 *983.9942* 983.9942@0.70180106 1 60506 1 44316 45082 4386 1 8173 34121 1 1 1 16439 1 5169 1 1 11895 1 46032 1 1 1 1 1 1 1 360757 1 1 80950 1 1 87721 1 8201 37990 1 1 1 1 12022 84736 46357 1 1 1 38772 66529 1 1 8413 39871 52918 1 1 1 73985 1 1 1 71205 1 94131 1 1 74596 1 104476 1 1 1 1 27380 1 1 1 46781 1 1 80411 55291 65919 1 1 1 1 1 1 24046 983.9942 *983.9942* 983.9942@1.1331252 1 1 1 1 1 7428 1 14061 10201 21050 1 1 1 1 4923 1 1 1 12255 26252 1 6068 1 1 1 11263 1 1 1 1 1 1 13914 1 1 18984 1 7658 1 1 1 1 1 1 1 6857 1 13956 1 1 1 1 1 8165 1 1 1 1 35011 1 1 1 1 19673 22790 26829 5344 1 1 1 14072 1 8051 1 1 10669 1 1 1 1 1 11213 1 1 1 1 1 1 17620 1 983.9942 *983.9945* 983.9945@6.236294 1 1 1 1 1 1 1 12617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19514 1 1 1 1 1 1 1 1 1 1 1 1 1 30135 29515 1 1 1 16594 1 1 18151 18020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16820 20009 1 1 19244 45263 1 1 19789 983.9945 *983.9945* 983.9945@5.3920746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18422 1 1 1 1 1 1 1 1 1 1 1 1 983.9945 *983.9945* 983.9945@10.232219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9945 *983.9949* 983.9949@7.6588326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40155 34870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21751 1 1 1 37868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9949 *983.9953* 983.9953@1.9616055 130690 133948 132752 133313 129525 117114 102601 97842 5048 126707 119537 132362 150868 141850 136831 127435 141636 132454 128996 133102 138119 142977 129456 155033 112384 129992 136367 145009 167372 154465 210436 161083 164202 173050 126391 125567 181029 155510 154651 169819 142446 159310 164089 158367 150809 160354 130516 125610 4825 134200 123872 127164 120466 158990 129727 160417 172460 120572 150658 160973 137897 191869 149059 134507 153354 187830 133516 183049 153424 133014 128880 132778 225310 151074 141385 147413 140059 127879 123854 125847 149519 130614 154832 170327 129286 148072 129219 166761 142250 139765 983.9953 *983.9955* 983.9955@0.92789865 275779 266369 314355 309095 268978 268632 204030 194293 376684 373288 323865 330007 305485 308781 301364 298967 360515 351438 396500 385073 177617 190290 257070 247200 216421 217281 440534 76141 325435 335619 307830 314544 261667 279696 278932 281413 234409 241152 350683 361125 270996 276647 218945 184843 341598 337424 310949 329148 317828 302950 318422 323625 253470 259454 240580 240169 284109 298624 343455 348462 340848 346446 196357 189966 428927 447765 289080 303718 283918 268717 481656 491936 400585 405585 286944 303449 391989 392220 519360 529182 506982 528746 521821 520054 423886 418765 478723 495495 396786 405070 983.9955 *984.3801* 984.3801@0.9293041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 1 1 984.3801 *984.6744* 984.6744@1.0750362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6257 1 1 1 1 1 1 1 1 1 1 1 984.6744 *984.9942* 984.9942@1.0995868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9942 *984.9955* 984.9955@1.6782968 1 1 1 1 1 1 1 1 1 1 4203 1 1 4187 1 1 1 1 1 1 1 1 1 1 1 1 1 5796 3558 1 1 1 1 1 1 1 9531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 4515 1 1 1 1 1 1 1 1 1 1 1 1 1 11061 3505 1 1 1 1 1 1 7686 1 984.9955 *984.9956* 984.9956@0.6577762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11187 1 1 1 1 1 1 1 1 20074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9956 *984.996* 984.996@2.9195218 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 5443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 1 8773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.996 *984.9963* 984.9963@1.3878665 1 1 1 1 1 1 1 1 1 1 1 1 2203 4945 1 1 1 4383 11622 5475 1 1 1 1 1 1 1 7140 9208 1 2667 5293 1 1 1 1 1 1 1 1 1 1 1 1 3121 1 1 1 1 1 1 1 5593 1 1 6372 1 10675 5729 13993 1 1 1 13615 1 3688 2677 1 1 1 1 1 1 1 11429 1 1 1 1 1 1 4529 14787 1 13221 1 1 1 1 1 984.9963 *984.9968* 984.9968@6.225062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11111 1 1 984.9968 *984.9971* 984.9971@0.87913394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9971 *985.998* 985.998@0.8880709 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.998 *991.3658* 991.3658@1.0627847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 2036 1 1 1 1 1 1 1 1 991.3658 *992.4156* 992.4156@1.0576186 1 1 1 1 4134 4256 1 1 1 1 5038 4799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 7133 1 1 4022 5566 1 1 4749 4584 1 1 1 1 1 1 1 1 1 1 1 1 4103 4192 1 1 1 1 6193 6659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6784 4873 7840 7838 1 1 1 1 1 1 1 1 992.4156 *996.5266* 996.5266@0.989893 1 1 1 4987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9034 7372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7153 7332 1 1 1 1 1 1 1 1 7942 3531 5989 2698 1 1 1 1 1 1 1 1 1 1 1 1 8825 9135 1 1 1 1 1 1 7020 3240 1 1 1 1 1 1 1 1 1 1 4057 1 1 1 996.5266 *997.8255* 997.8255@5.4832206 4584 4365 3693 4484 4529 4663 4887 4934 4843 4932 4058 3893 4408 4847 4745 4700 5058 4589 5971 6334 5000 4347 4980 4451 5385 5795 4380 4852 4911 4188 4703 4197 4302 4451 4526 4361 4667 4957 5068 4637 4661 4375 4247 3960 4372 4417 4462 4802 4924 4618 4618 5164 5084 4727 4399 3947 4822 4716 4739 4315 4174 4002 4838 4575 4266 4765 4725 5335 5460 5378 5684 5685 4171 4247 4370 4724 4653 4564 4628 4835 4955 4847 4720 4372 4652 4887 5702 5273 4365 3968 997.8255 *998.3385* 998.3385@1.1206657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 3015 1 1 1 1 1 1 998.3385 *998.5243* 998.5243@0.99036855 1 1 2461 1 1 1 1 1 3047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4102 1 3613 1 1 1 1 1 1 2556 2098 1 1 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 1 1 1 1 2820 1 1 998.5243