Group1_1 Group1_1 Group1_2 Group1_2 Group1_3 Group1_3 Group1_4 Group1_4 Group1_5 Group1_5 Group2_21 Group2_21 Group2_22 Group2_22 Group2_23 Group2_23 Group2_24 Group2_24 Group2_25 Group2_25 Group3_41 Group3_41 Group3_42 Group3_42 Group3_43 Group3_43 Group3_44 Group3_44 Group3_45 Group3_45 Group1_6 Group1_6 Group1_7 Group1_7 Group1_8 Group1_8 Group1_9 Group1_9 Group1_10 Group1_10 Group2_26 Group2_26 Group2_27 Group2_27 Group2_28 Group2_28 Group2_29 Group2_29 Group2_30 Group2_30 Group3_31 Group3_31 Group3_32 Group3_32 Group3_33 Group3_33 Group3_34 Group3_34 Group3_35 Group3_35 Group1_11 Group1_11 Group1_12 Group1_12 Group1_13 Group1_13 Group1_14 Group1_14 Group1_15 Group1_15 Group2_16 Group2_16 Group2_17 Group2_17 Group2_18 Group2_18 Group2_19 Group2_19 Group2_20 Group2_20 Group3_36 Group3_36 Group3_37 Group3_37 Group3_38 Group3_38 Group3_39 Group3_39 Group3_40 Group3_40 Mass Compound 20jun12_15-r001(raw) 20jun12_15-r002(raw) 20jun12_16-r001(raw) 20jun12_16-r002(raw) 20jun12_17-r001(raw) 20jun12_17-r002(raw) 20jun12_18-r001(raw) 20jun12_18-r002(raw) 20jun12_19-r001(raw) 20jun12_19-r002(raw) 20jun12_20-r001(raw) 20jun12_20-r002(raw) 20jun12_21-r001(raw) 20jun12_21-r002(raw) 20jun12_22-r001(raw) 20jun12_22-r002(raw) 20jun12_23-r001(raw) 20jun12_23-r002(raw) 20jun12_24-r001(raw) 20jun12_24-r002(raw) 20jun12_25-r001(raw) 20jun12_25-r002(raw) 20jun12_26-r001(raw) 20jun12_26-r002(raw) 20jun12_27-r001(raw) 20jun12_27-r002(raw) 20jun12_28-r001(raw) 20jun12_28-r002(raw) 20jun12_29-r001(raw) 20jun12_29-r002(raw) 20jun12_31-r001(raw) 20jun12_31-r002(raw) 20jun12_32-r001(raw) 20jun12_32-r002(raw) 20jun12_33-r001(raw) 20jun12_33-r002(raw) 20jun12_34-r001(raw) 20jun12_34-r002(raw) 20jun12_35-r001(raw) 20jun12_35-r002(raw) 20jun12_36-r001(raw) 20jun12_36-r002(raw) 20jun12_37-r001(raw) 20jun12_37-r002(raw) 20jun12_38-r001(raw) 20jun12_38-r002(raw) 20jun12_39-r001(raw) 20jun12_39-r002(raw) 20jun12_40-r001(raw) 20jun12_40-r002(raw) 20jun12_41-r001(raw) 20jun12_41-r002(raw) 20jun12_42-r001(raw) 20jun12_42-r002(raw) 20jun12_43-r001(raw) 20jun12_43-r002(raw) 20jun12_44-r001(raw) 20jun12_44-r002(raw) 20jun12_45-r001(raw) 20jun12_45-r002(raw) 20jun12_47-r001(raw) 20jun12_47-r002(raw) 20jun12_48-r001(raw) 20jun12_48-r002(raw) 20jun12_49-r001(raw) 20jun12_49-r002(raw) 20jun12_50-r001(raw) 20jun12_50-r002(raw) 20jun12_51-r001(raw) 20jun12_51-r002(raw) 20jun12_52-r001(raw) 20jun12_52-r002(raw) 20jun12_53-r001(raw) 20jun12_53-r002(raw) 20jun12_54-r001(raw) 20jun12_54-r002(raw) 20jun12_55-r001(raw) 20jun12_55-r002(raw) 20jun12_56-r001(raw) 20jun12_56-r002(raw) 20jun12_57-r001(raw) 20jun12_57-r002(raw) 20jun12_58-r001(raw) 20jun12_58-r002(raw) 20jun12_59-r001(raw) 20jun12_59-r002(raw) 20jun12_60-r001(raw) 20jun12_60-r002(raw) 20jun12_61-r001(raw) 20jun12_61-r002(raw) HMP ID KEGG ID Mass *58.9829* 58.9829@1.0329831 1 1 1 1 1 1 1 1 3141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6044 6568 1 1 1 1 1 1 3888 3472 3122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3939 4041 1 1 1 1 58.9829 *60.019* 60.019@0.8640889 1 1 1 1 1873 1519 1 1811 1 1 6926 7910 1794 1 1626 1 2096 1 1 1 1 1 1853 2121 1 2467 2225 1 1 1 2643 1 1 1 1997 1923 2355 1 1 1 1542 1 1 1 1 1 1 1983 1 1 1 1 1 1 2479 2157 1 1 1 2046 2468 3746 1 1 1 1 1 1 1 1 1 2009 2258 1839 1 1 1 1 1966 1517 1 1882 1 1 1 1 1 2046 9330 1 60.019 *60.0212* Glycolaldehyde 7038 7084 4897 10573 26053 17612 41607 24995 15919 23122 17192 14735 12639 6016 14509 5001 4990 16597 6457 6453 5633 1 13984 15646 1 13188 15609 5600 13988 5450 24820 33965 6073 6133 24239 23356 20501 6747 26383 29030 28475 25588 12015 12318 15882 18330 12019 19356 6900 6839 7949 27794 20145 20363 21777 22322 37462 6328 15358 15616 24079 23494 8249 26848 31352 25996 9586 10738 17314 16012 22174 5329 16282 17671 7059 1 8091 7975 29576 28657 24235 22440 8055 7593 45416 6615 15715 32225 16065 25978 HMDB03344 C00266 60.0212 *60.0212* 60.0212@2.2728138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8269 7616 60.0212 *62.9928* 62.9928@0.88495594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3236 62.9928 *62.9953* 62.9953@13.466335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 1 3029 2231 1 1 1 1 1 1 1 1 1 1 1 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2972 3903 62.9953 *62.9954* 62.9954@14.162521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 2903 1 1 1 1 1 1 1 2751 3640 3581 3231 1 1 1 2520 3701 5620 4813 1 1 3132 1 4038 1 1 3068 1 1 5658 4457 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2114 1803 1 1 1 1 1 1 1 1 4435 6163 62.9954 *62.9955* 62.9955@8.392412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2573 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3198 3125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62.9955 *62.9955* 62.9955@8.288465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62.9955 *62.9956* 62.9956@14.169727 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4098 3692 3637 3847 1 3069 1 1 1 2606 5529 4193 1 1 1 1 2266 2955 3154 1 1 1 3668 4723 1 1 1 1 3678 1 1 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4751 3523 62.9956 *62.9956* 62.9956@0.8843274 2357 1 2962 1 2428 1 1592 1159 4330 4881 2579 4142 2847 2464 1 2491 3829 3603 4450 4563 1 1 1 2144 1 1 4826 4844 1 1 3176 2475 3771 3238 2576 2623 2667 1 2855 3003 2879 3207 1 2240 3080 3466 3027 3359 3144 2838 4811 4961 2488 2658 1 3350 2439 3241 3373 4205 2803 2672 1956 2275 7995 7940 3668 3837 1 2669 8031 8598 4755 4876 2717 2923 3846 3919 6977 5681 5661 5817 7311 6695 6513 6401 4181 4219 1 1 62.9956 *62.9956* 62.9956@11.340969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 3288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62.9956 *64.0159* 64.0159@13.474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64.0159 *66.0217* 66.0217@14.7935095 1 1 1 1 1 1 1 1 1 1 3165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0217 *66.0466* 66.0466@5.432202 2668 3391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4094 3780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4776 4710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3118 3423 1 1 66.0466 *68.0368* 68.0368@1.2620525 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0368 *70.0027* 70.0027@0.7221045 1 1 1 1 1 14954 1 1 28297 1 18279 1 1 1 1 1 13055 1 1 3780 1 1 1 1 1 1 1 1 1 10791 19167 1 1 8636 1 1 16120 1 1 1 13907 1 1 14715 1 1 1 1 1 1 1 1 7815 11437 1 1 1 1 12842 8295 5594 11360 1 1 7503 10735 1 1 1 5627 1 1 1 10786 1 1 1 1 1 7504 4732 1 1 7092 1 1 1 1 1 14409 70.0027 *70.0028* 70.0028@0.605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0028 *70.0028* 70.0028@0.6429977 1 1 1 1 1 1 1 1 1 1 9814 1 1 1 1 1 33287 1 1 1 1 1 1 1 1 1 1 1 1 5124 1 1 1 1 1 1 7263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16492 5513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14250 1 1 8313 1 1 1 1 1 1 1 1 1 1 10602 1 1 1 1 1 1 70.0028 *70.0028* 70.0028@0.67488974 82178 80921 77282 72896 70478 1 50344 66033 1 53800 1 64981 54640 51855 49382 52975 1 43463 52662 1 47598 42906 40377 43020 39479 40665 37157 41965 41263 9096 1 39747 1 1 31256 28656 1 34096 16651 1 1 1 25696 1 1 29911 31538 18806 26436 22736 1 28042 1 1 1 25368 22818 21646 1 1 1 1 18711 23515 1 1 18076 20773 1 1 16761 13640 1 1 1 17746 16874 15723 14490 1 1 20606 18187 1 15569 14597 13399 1 13624 1 70.0028 *70.0028* 70.0028@1.0506839 1 25312 1 1 1 1 7052 18093 9287 11411 8474 13398 7693 1 19514 6069 15875 1 1 1 1 1 1 11068 6339 8772 10331 12110 1 1 1 1 1 1 11132 1 5539 1 8049 1 1 1 10546 5069 1 1 1 1 1 1 1 5991 8459 7212 1 1 8500 9152 1 1 7389 7485 6730 1 2697 1 1 1 1 1 1 1 1 5234 1 5872 7378 1 1 1 1 4726 1 4285 1 1 1 1 1 1 70.0028 *70.0028* 70.0028@10.09751 1 1 1 1 1 1 17181 1 1 1 1 1 1 1 1 20693 1 1 1 1 1 1 1 10597 1 1 11105 1 1 1 1 1 1 1 1 1 8924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0028 *70.0028* 70.0028@3.166664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20165 1 1 1 1 1 1 1 1 1 1 12167 1 1 1 1 1 1 1 14851 1 8604 1 1 11360 1 1 1 1 1 1 1 12324 13019 1 1 1 1 1 1 1 1 1 13944 13274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6723 1 1 1 1 1 1 8243 1 1 7190 1 1 1 70.0028 *70.0028* 70.0028@3.8420472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9619 1 1 1 1 1 1 1 1 1 1 7784 1 1 1 1 1 1 1 11805 1 6963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0028 *70.0028* 70.0028@5.3370366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0028 *70.0028* 70.0028@8.404854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0028 *70.0029* 70.0029@1.1971624 46688 48353 42353 37926 46178 40780 53031 37660 36339 49066 19049 30480 34351 37492 35620 26770 30174 26991 26152 24782 30378 27550 25403 21494 27026 21802 19339 26443 14994 13315 1 20558 19473 12293 18062 26802 29402 21050 16068 19199 21971 20794 19289 21109 19343 18230 24066 22205 24745 20952 18969 18179 19891 19053 20593 14728 24134 22310 17202 22513 20298 20998 13791 17261 15495 18847 19515 18323 13269 19936 16607 17578 1 15358 17546 15376 9238 16773 21412 19436 15676 12715 18252 15339 15662 15009 13480 10653 12598 8961 70.0029 *70.0029* 70.0029@10.656388 1 1 1 1 1 1 26341 1 1 1 1 1 1 1 1 19801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0029 *70.0029* 70.0029@14.784546 1 1 1 1 1 1 1 1 1 1 23926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0029 *70.0029* 70.0029@4.8301806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4731 1 70.0029 *70.0029* 70.0029@7.712113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0029 *70.0031* 70.0031@4.299588 1 1 1 1 1 1 16728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9727 1 1 1 1 1 1 1 1 1 1 7794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0031 *70.0031* 70.0031@0.95030844 1 1 1 1 1 1 1 1 21062 9889 1 12614 21317 1 1 17312 1 1 1 1 1 1 1 13203 5221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4715 1 1 1 1 1 1 1 3778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5230 1 1 1 1 1 1 70.0031 *70.0381* 70.0381@1.1333202 4241 3044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4657 7419 1 1 1 1 2490 1991 7740 4101 1 1 4225 4927 3090 4202 1 1 1 1 1918 6233 1 1 1 1 1 1 1 1 1 1 2265 7212 1 5165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3413 4345 70.0381 *70.0389* 70.0389@1.2443204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 2525 1 1 5198 1 3024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 2045 70.0389 *70.0394* 70.0394@1.1809373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4155 3019 70.0394 *72.0062* 72.0062@0.7805904 17877 17775 19672 19352 17296 17839 23035 22648 18414 18982 15478 14881 16849 17114 16832 16327 18242 17595 17178 16127 13630 13147 15371 16311 17127 17235 16848 17984 18535 9469 13724 15175 16740 17674 18414 19357 17746 16772 18343 17786 16667 17107 17369 18612 15970 16970 18853 18583 18362 18708 15048 15369 17236 17766 16462 16738 18209 17721 18208 17658 17887 18361 16686 16802 13251 14145 16175 17279 15884 16553 16904 17155 18673 18452 17374 17571 15724 16416 17306 17727 19039 18917 18694 18208 17273 17215 19694 19427 17189 18064 72.0062 *72.0063* 72.0063@0.765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0063 *72.0195* C3 H4 O2 59763 53506 36149 36298 15918 16837 14130 16098 12125 15654 21454 20784 18195 16107 15608 17949 19763 21289 1 1 21060 42623 24290 18628 50583 21707 19861 21339 39767 23050 19024 17300 46266 18802 17066 19944 57395 17800 20226 17526 14182 15997 26214 24206 15938 15795 15306 16721 19156 16079 18640 19267 16698 14993 22153 19183 12556 14402 14727 18468 20728 26384 17795 1 12713 16096 26030 78903 12797 13664 18941 20183 17518 17227 20080 18566 25135 58689 17693 17937 19044 17486 22854 21029 18397 18249 16448 21866 19087 22254 72.0195 *72.0206* 72.0206@1.3413361 1 1 1 1 1 1 1 1 1 1 1885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3184 1 1 1 1 3348 1 1 1 1 1 1 1 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 23841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7579 1 1 72.0206 *72.0208* 72.0208@1.3724369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5704 1 1 1 1 4678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4335 1 1 1 4409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4371 1 5818 7529 1 1 1 1 1 1 1 1 1 1 4468 1 1 1 1 1 72.0208 *72.0211* Methylglyoxal 1 1 1 1 1 1 35920 34413 29658 32592 24163 25820 26404 31304 26061 25174 35562 35055 45749 48687 24149 1 27510 28063 1 29955 26498 19166 2470 16228 32935 1 1 1 26032 26320 2091 32412 22320 25404 27126 26538 65583 67547 29088 28645 30009 29361 35617 31465 44184 45520 34708 34816 26260 26729 30295 28700 25980 29698 1 43400 51399 61102 50617 49183 51982 1 32780 31318 35696 31626 30187 29091 29380 31549 34153 1 24802 24483 20772 26761 36050 29467 28125 28604 25211 21567 59377 55497 C00546 72.0211 *72.0211* Methylglyoxal - 1.0418581 5872 1 4930 4820 6137 6017 1 3008 1 1 3985 4203 3914 4558 4832 3749 1 1 5211 4936 5153 5182 3517 3801 4868 5400 5409 6148 5373 7717 5963 5295 7073 8009 3143 4870 6529 1 9079 8223 5380 5698 7162 7115 5888 5825 5016 5073 5219 5374 5364 3495 4446 5114 5513 4648 5179 4476 4805 4434 5300 6168 7362 7408 7968 7904 5016 5463 4307 4057 5266 1 5330 4423 4252 5481 5641 6242 6004 6069 7704 7600 3265 4423 3031 3583 3422 4522 6993 7626 C00546 72.0211 *72.0212* Methylglyoxal - 1.2775441 26235 25414 21209 17555 17740 16638 11876 11446 9378 10468 17588 20215 12405 12549 21222 18622 17492 17459 24703 26950 25356 24257 15839 14204 18060 20422 33179 31763 21556 21123 11818 11871 23359 21498 18605 19505 25737 23931 29013 30821 22500 22001 24998 22411 22726 24610 21778 20879 18542 19386 15301 17544 15574 16738 22480 25451 19258 5365 21462 22655 19393 18800 17281 20466 23977 24343 21968 24180 21638 19191 20897 23012 21886 21101 17237 17452 19154 21421 24611 29161 31087 30621 16053 14958 19608 23088 20451 17952 17706 22210 C00546 72.0212 *72.0213* 72.0213@1.0026639 1 6440 1 1 1 1 1 1 1 1 2562 1 1 1 1 1 3913 3829 1 1 1 1 1 1 1 1 1 2706 1 1381 1 1 1 1 1 1 1 4899 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 1 5243 1 1 1 1 1 1 1 1 3035 1 1 1839 1 1 1 1 1 1 72.0213 *72.0568* Tetrahydrofuran 167431 174024 62340 59691 41358 3649 37233 38732 26305 24707 31442 32838 34400 34964 32277 32508 58689 60472 69721 68829 44742 43982 30106 30832 70709 71579 40495 39484 51175 49618 33645 33655 38401 37980 23493 22731 82084 80945 83597 84054 43645 45550 57461 57248 47078 47311 63663 63959 42226 42817 50482 49256 83726 83618 63725 65399 72850 73044 72517 75061 46613 45379 60497 60338 32800 34879 52278 4681 35908 35788 36531 37508 54297 55187 36786 38405 91546 92167 127838 129787 81564 78653 93550 93824 44798 47179 60023 59668 61728 66028 HMDB00246 72.0568 *72.0571* 72.0571@3.5209432 1 1 1 1 1 1 11581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0571 *72.0571* 72.0571@3.1503985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2655 1 1 1 1 1 1 1 1 1 1 72.0571 *73.0071* 73.0071@0.779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0071 *73.0161* 73.0161@3.1662695 5230 5406 5562 4944 4914 5113 3995 4199 5341 5022 4639 4574 4220 4477 5509 6126 4760 4846 6796 6057 4138 4675 4610 5499 4801 4719 5431 5309 5200 5063 4343 4464 4544 4828 5089 4765 5445 5304 5535 4550 4708 4324 5817 5383 5209 5109 4889 4878 5538 5891 5031 5049 4933 4893 5496 5389 5819 6721 5874 6250 7137 8275 4296 4735 4680 5351 5041 5161 5411 5633 6216 6216 5885 5389 5213 5402 5903 6068 6167 6326 6227 6537 7471 7689 4987 5663 6907 6880 4540 4971 73.0161 *74.0001* Glyoxylic acid - 1.0549864 1 1 44832 43235 53241 56544 1 1 1 29735 43154 4898 1 1 36764 37568 1 40386 1 1 48873 51107 1 35482 1 47372 5389 54655 49390 2573 54955 54469 1 4834 1 1 61911 63926 86922 87179 54083 3772 1 8141 65476 66361 1 1 1 1 1 1 1 40385 4680 59688 1333 1 55922 51865 62156 1 75859 75220 80440 78290 56477 52291 44160 43062 60043 1 54482 1 55842 60406 1 1 68604 1 87827 1 1 9960 1 1 1 1 1 72374 HMDB00119 C00048 74.0001 *74.0004* Glyoxylic acid 12700 47447 1 1 1 1 10530 11078 10656 1 2148 47025 7577 29760 1 1 8709 1 14209 12489 1 1 7580 1 9613 1 54189 1 1 7405 1 1 74804 74736 11200 10799 1 1 1 1 1 12181 58319 11852 1 1 11395 12260 13714 12127 11331 13517 38642 1 11042 1 12481 58461 1 1 1 13757 1 1 1 1 1 1 1 1 1 14439 1 10760 1 1 14551 15824 1 16000 1 15700 10556 1 10336 13234 12730 12225 13454 1 HMDB00119 C00048 74.0004 *74.0005* Glyoxylic acid - 1.2737006 3513 3971 2665 2732 2274 2627 1 4944 4267 4308 3215 2931 1 1 2425 2652 2543 2822 4004 3147 3120 3571 1 2208 2746 2873 1 4478 4286 3868 1 1 2876 3635 2480 2460 3117 2817 3843 5163 3399 3182 3597 3861 4000 2679 2656 2453 3383 2575 1835 5870 2436 1 3677 3437 3699 3203 3459 2896 2852 2385 3438 2714 3600 3534 3122 2930 2945 2884 2597 3121 3276 3845 1868 8530 2732 3893 3738 4420 2995 3811 2444 1 2366 3140 2801 2441 2238 3364 HMDB00119 C00048 74.0005 *74.0005* 74.0005@1.1807275 1 1 5060 6000 5899 5151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4231 3524 1 1 1 3753 1 4040 1 1 1 1 1 1 1 1 1 1 1 6785 1 1 1 1 1 7628 1 1 1 1 1 1 1 1 1 5143 7524 8707 6916 5536 1 1 6331 6576 1 1 1 1 4415 1 4195 5178 5102 1 7769 1 10342 11269 7961 7592 8692 1 5667 1 1 5254 5058 1 1 1 74.0005 *74.001* 74.001@0.9010081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.001 *74.0039* 74.0039@0.7799781 2806 2674 3327 3275 3102 2654 3833 3424 2933 3217 2687 2376 2698 1 2825 2882 2956 2510 2930 2718 1 1 2929 2861 2958 2659 2463 1 3154 2896 2530 1 2571 2607 3175 3630 2942 1 3146 3084 1 2624 2682 3075 2652 2713 3311 3017 3092 2982 2391 2456 2774 2880 2939 2311 2994 2719 2982 2927 3063 2875 3313 3041 1 2333 3068 2482 2957 2366 1 2575 3024 2994 2690 2894 2353 1 3155 2415 3283 3552 2888 2982 1 2582 2998 3310 2960 2931 74.0039 *74.0333* 74.0333@1.0190554 4527 2233 1 1 1 3077 6415 6418 1 1 2539 1 1 1 1 1 1 1 3029 4889 1 1 1 1 1 1 2711 1 1 1 1 1 5328 1 1 4484 2376 1 1969 2226 1 1 2307 2522 1 1 3802 2377 3738 2393 1 1 1 1 1 1 1 1 1 1 1 5220 1 5167 1656 1 1 1 1 1 5002 1 1968 1 4221 1 3518 1 4551 1 2217 4846 1 1 1 1 1 1 3470 1 74.0333 *74.0361* 74.0361@1.8932201 1 1 1 1 1 1 1 1 1 1 5142 1 1 1 1 1 1 1 1 1 1 1 1 1 9185 1 1 1 1 3093 1 1 1 1 1 1 1 1 1 1 1 1 1 8887 1 1 1 1 1 1 1 4224 1 1 1 1 1 1 1 1 7447 1 1 1 1 1 9243 10720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6646 1 1 1 74.0361 *74.0361* 74.0361@1.98016 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0361 *74.0363* 74.0363@2.5159917 1 1 1 5458 1 1 1 4629 4451 1 4732 6313 1 4605 4183 1 1 1 7540 7568 1 1 4117 3849 1 1 1 1 7251 3140 1 1 5727 1 1 1 6807 1 6211 5980 1 1 1 6526 1 1 1 1 1 1 1 1 6767 1 4561 4737 9378 1 1 6618 1 1 1 3033 1 1 1 1 1 1 5297 4284 1 1 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0363 *74.0364* Lactaldehyde 15431 16210 12564 11412 8233 8675 8019 9074 7678 7555 4690 12565 7936 8659 9171 9237 7384 6989 10274 10220 15179 15414 6716 6750 1 9360 15436 15018 12944 7869 10671 10003 13273 13269 9669 9588 9744 10040 24801 25106 11107 10768 16211 8011 8230 8668 13077 11613 10213 10147 8736 4994 7397 7242 11849 11783 10248 10762 10854 1 5470 11548 14412 13937 12866 12854 17296 18778 7896 7706 27041 25671 15439 16687 11213 10730 25109 23665 29769 31738 16734 17506 12988 13353 21258 21969 8728 15126 16875 16912 HMDB03052 C00424 74.0364 *74.0365* Lactaldehyde - 2.5228448 5734 5344 5575 1 7570 7384 5213 1 1 1 1 1 4320 1 1 1 1 1 1 1 5785 5736 1 1 7808 7762 7377 7077 1 2749 4272 4192 1 5174 1 1 1 6219 1 1 1 1 6603 1 8875 8925 5711 6252 9428 8933 6890 6553 1 6681 1 1 1 9347 6598 1 9005 9210 7920 5333 7245 7485 7224 7537 5269 5448 1 1 6830 6290 4806 5030 5617 7879 9960 9469 9692 9657 12407 12285 7281 7118 6757 6555 6822 7540 HMDB03052 C00424 74.0365 *74.0365* 74.0365@6.631182 1 1 1 1 1 1 1 1 1 1 1 1 6954 7035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0365 *75.0307* 75.0307@0.86361694 16929 14415 17695 16756 14974 16459 17289 15456 21100 20312 18280 18989 17052 17683 23351 24154 18312 18476 1 14083 15873 16036 17343 17364 18076 19216 14031 15360 19029 16407 25703 25344 15921 14042 16743 16161 19758 17722 11323 15907 18415 17816 16547 16151 13263 13966 14155 13370 20404 20655 18999 18706 18222 18579 19056 18275 18544 18587 24486 24651 18339 18330 14030 14745 17986 16674 17044 15556 18516 18914 22612 22200 17035 15769 19371 18477 21221 21594 19766 19604 22204 22104 17210 17483 19384 14481 20532 20152 18880 19324 75.0307 *75.0317* Glycine 1 1 1 1985 1 1 2914 3225 3581 3549 1788 1879 1997 2175 1 1 2027 1 1996 1 5319 5630 1 1 1 1904 3312 3613 1 1 6322 6312 1 1959 1 1 1 1 4368 4425 1 1 1812 1 1 1 2610 2822 1 1 3034 3155 1 1 2437 2384 5619 5906 9556 9377 2304 2055 2384 2346 2539 2457 1 1 1 2280 1 1 2701 2383 2224 2588 1 1718 6070 6676 2272 2124 2485 2655 2514 1 2682 3089 2638 2592 HMDB00123 C00037 75.0317 *75.0319* 75.0319@3.648872 1 1 1951 1 1 1 1 1 1 1 1 1446 1 1 1 1937 1 1 1 1 1 1 1 1 1791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1978 2280 2165 1 1 1 1 1 1 1 1 2118 1 1 1 1 1 1718 1776 1 1881 1 1 1974 1 1 1564 1 1704 1 1 75.0319 *75.0322* 75.0322@0.8727528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13895 1 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 3908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4725 1 1 1 1 75.0322 *76.0157* 76.0157@0.97769946 5651 7037 1 1 1 12797 9115 10660 6057 5838 9896 1 5745 6566 5920 7869 1 6553 1 1 1 1 1 1 1 1 1 1 1 4923 1 10573 1 10465 1 1 1 1 1 1 1 7544 1 1 1 1 1 3344 1 1 1 8787 7284 8459 1 22002 1 1 1 1 3474 1 6329 1 7065 5249 1 1 1 1 5308 1 6926 1 5258 6338 6034 5282 8189 6606 1 1 7082 6961 6256 1 1 1 7100 6804 76.0157 *76.0157* 76.0157@1.232091 1 1 1 1 1 1 1994 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76.0157 *76.016* Glycolic acid 59336 57563 62823 60541 70517 60054 101951 100055 66613 67288 1876 95593 53481 54948 28793 28812 21474 65507 33663 114560 59358 56985 55890 54397 15072 15477 56464 54981 58917 5394 105159 106288 120070 108830 87898 87563 78044 75463 104009 104231 72849 70087 15697 19748 80332 82891 54611 51845 83717 85973 93567 83899 82044 82405 101020 8426 158263 156732 54050 17012 45338 10606 65094 22812 76239 77904 106417 105397 60285 16161 75540 78552 72255 79701 80225 80653 46363 45520 99856 100888 36292 129124 79581 79739 118440 125749 103992 104693 72042 72617 HMDB00115 C00160 76.016 *76.0162* 76.0162@0.9190521 1 1 1 1 1 1 1 1 1 1 21868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76.0162 *76.0301* 76.0301@5.4335575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2534 2488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2842 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76.0301 *78.0315* 78.0315@13.467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.0315 *78.0463* 78.0463@4.3344073 1 1 1893 1 1 1 3982 4716 1 1 3128 2956 3025 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2614 3200 1 1 1 2276 1 1 1 1 1 1 2510 2932 1 1 1 1 1 1 4116 4333 1 1 1 1 1 1 1 1 1 1 1985 1 1 1 2336 2499 4000 4356 1 1 1 1 1 1 1 1 1 1 1 1 6467 6411 1 1 1 1 1 1 1 1 78.0463 *79.0417* 79.0417@1.195481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12719 11970 2699 2256 1 1 1 1 2326 1 1 1 79.0417 *79.926* 79.926@0.89299536 1 1 1 1 1 1 1 1 1 10985 1 1 1 11376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3529 1 1 1 1 1 1 1 1 8339 1 1 1 1 9697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.926 *79.9649* 79.9649@0.8886281 1 1 8084 23007 1 1 32355 33777 1 1 4600 1 1 1 1 1 1 27013 1 1 1 1 1 1 1 9727 1 1 1 4133 1 7010 1 1 1 1 26272 1 1 1 1 1 26678 35789 1 1 1 7866 23390 5940 4359 1 1 1 1 1 1 1 1 1 22572 18921 14496 11532 1 6704 26509 11644 1 24557 1 1 1 9358 11908 1 23668 25142 1 1 1 1 25328 1 1 1 1 1 30372 31671 79.9649 *79.9655* 79.9655@0.8993972 28772 26395 1 1 27428 23281 1 1 33533 15222 1 22656 29862 26112 28771 28306 27669 1 1 22357 23368 26461 23293 24454 28711 1 27378 28829 14829 5688 28419 22339 23855 18854 25918 26123 1 21849 28665 28891 17999 19266 1 1 20596 20827 32301 24717 1 1 1 24853 31968 30244 22837 1 19607 26968 25422 1 1 1 1 1 17742 1 1 1 23511 1 33951 38991 30014 1 1 31519 1 1 35959 32142 19122 20930 1 23424 29265 39780 29134 31215 1 1 79.9655 *79.9656* 79.9656@0.92698926 1 1 13288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24852 1 1 1 4745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17196 24623 1 1 1 1 11828 1 1 1 1 1 1 1 1 1 21570 1 1 1 1 1 1 1 1 17589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9656 *79.966* 79.966@1.0202082 1 1 1 1 1 6262 5859 1 1 1 1 1 1 1 1 4661 1 1 9382 1 1 1 1 1 1 1 4263 1 1 2093 1 1 2132 6475 1 1 1 1 1 1 1 1 1 1 1 1 1 4937 1 1 1 1 1 1 1 1 7489 1 1 1 1 1 1 4629 8092 1 1 5640 1 1 1 1 1 1 1 1 7951 1 1 1 1 1 1 1 4516 1 1 1 1 1 79.966 *79.9661* 79.9661@0.95257425 1 1 1 1 1 1 1 1 1 12156 5161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8913 3303 1 1 1 3334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15342 1 1 12778 8075 1 1 1 9293 1 1 1 1 1 11187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9661 *79.9662* 79.9662@0.8104009 15842 15241 12013 12560 15219 15150 19163 20375 16446 17592 11750 10839 17252 14828 16268 14670 15820 16715 13863 13278 15889 15469 13190 11732 15475 14744 15129 16164 12995 15530 15047 15692 14162 13517 15362 19296 13385 12370 17494 15379 10141 11661 18036 17616 10182 9656 16869 16702 12473 11783 14107 12493 16433 15170 10751 11026 12320 13138 12743 12650 10756 11099 11578 12203 15735 14040 15150 16068 13702 14140 20018 20439 13405 13347 17274 16008 17218 16948 23360 20571 10586 10113 17038 16554 20038 20423 19555 18361 17027 17603 79.9662 *80.9605* 80.9605@0.8649926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9605 *80.9636* 80.9636@0.816012 3372 3848 4407 1 2077 1932 3930 4131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1463 1 1 3940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 2160 1 1 1 1 80.9636 *80.9637* 80.9637@5.366318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9637 *80.9639* 80.9639@4.871538 1 1 1 1 1 1 3360 1 1 1 2127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9639 *80.964* 80.964@3.5561562 1 1 1 1 3641 4852 10491 10438 6241 6392 2860 4429 4547 5017 1 1 1 1 4523 5416 1 1 4948 4783 1 1 1 1 3502 1940 1 1 3868 3572 3097 2143 1 1 1 1 6819 7586 1 1 1 1 3093 3426 4247 4722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5065 5539 5440 5404 1 1 3873 3518 1 1 1 1 1 1 1 1 4577 3941 1 1 9529 10025 1 1 1 1 80.964 *80.9641* 80.9641@4.125955 4258 4325 1 1 3269 1 14120 11681 1 2766 1 1 2984 1 1 1 2951 1 1 2924 1 1 1 1 4865 4868 3159 3369 4392 4489 1 1 9618 9693 6360 6430 5413 5042 1 1 2866 3641 4013 4285 5558 5657 1 3438 3176 3662 4422 4463 2089 1 1 1 5346 5386 1 1 3631 3737 1 1 6706 6811 3819 4096 1 1 1 1 1 1 1 1 3651 3989 10351 10130 6651 5513 4253 4187 4147 3988 8577 8351 1 1 80.9641 *80.9641* 80.9641@0.84669375 1837 1697 2046 4390 2474 2795 6189 6028 5467 4772 4736 1 3885 5583 4164 6310 3032 3409 8652 8780 3063 3845 4097 3710 3651 2027 7391 6714 2723 1 3512 1785 4499 7588 1 1 1 2561 12102 12422 6642 5534 2022 4261 5527 9720 9351 10344 6595 8721 4896 4680 3676 5354 3741 3879 11645 7442 3917 4948 1 6520 1 1 4300 5744 1533 1939 5028 5170 7116 8693 4528 6721 4675 1 2922 1 1 7951 4696 1 4293 3851 4595 4808 4588 4607 4064 1 80.9641 *80.9642* 80.9642@3.8555562 1 1 6932 6783 6064 6768 23758 23194 1 1 1 1 3708 3612 1 1 1 3270 4871 4954 4101 4351 2971 1 1 1 13033 13003 16436 14863 8816 8229 17887 17106 7921 7884 36205 38331 1 1 11693 12021 10139 10315 6484 6883 16283 16042 3489 3246 20964 21774 12108 13014 12363 12284 4186 4058 5834 5354 22935 23215 8996 8896 6001 5889 15328 15392 3010 1 1 3074 3823 4095 6631 6874 4395 4306 13210 13613 18193 18642 5560 5564 8234 8082 14177 13448 11232 11661 80.9642 *80.9643* 80.9643@4.8029623 55892 56567 34190 35196 67265 66193 135793 134707 70168 67918 73994 74473 55611 55220 54476 53424 56761 55587 84006 85129 59145 58659 51850 50856 79214 78580 53715 54368 55215 52545 52074 51659 73279 73514 59821 59013 45441 45803 44367 46926 30946 31792 47226 47975 83579 82966 5204 4668 50423 50355 96852 97383 21456 21421 50154 50625 79642 80555 27314 25620 3828 3707 25286 24992 53865 52188 71130 67448 39333 41571 54367 54594 41823 41862 33868 33531 66113 65150 63822 63865 44513 43560 29389 28480 79529 77059 103183 100905 19846 19528 80.9643 *80.9643* 80.9643@3.1334946 1 1 1 1 1 1 4986 4398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9643 *80.9646* 80.9646@0.92933 2526 1 1 4493 1 1 7220 6837 1 4133 1 1 1 1 1 1 1 1 3824 4548 5311 1 1 1 1 1 1 4361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9646 *80.9646* 80.9646@4.0533066 1 1 1 1 1 1 4132 3432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9646 *80.9649* 80.9649@4.1413813 1 1 1 1 1 1 1 3005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.9649 *81.045* 81.045@0.84086317 1 1 1 1 1665 1 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1512 1 1 1 1 1 1 1 2043 1940 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 81.045 *81.972* 81.972@4.132808 1 1 1 1 1 1 6788 6296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4010 4304 2657 1 1 1 1 1 1 1 1 1 1 2887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2925 2462 1 1 1 1 1 1 1 1 1 1 1 1 4594 4308 1 1 1 1 1 1 3268 3242 1 1 81.972 *81.9812* 81.9812@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9812 *82.9614* 82.9614@4.7970753 1 2140 1 1 3007 2499 6213 6190 2926 1 3399 2697 2647 1 1 1 2359 1 3322 3375 2485 1 1 1 3316 3341 1 1 1 1 1 1 3354 3054 1 1 1 1 1 1 1 1 1 1 3711 3254 1 1 1 1 4555 4183 1 1 1 1 3284 3328 1 1 1 1 1 1 1 1 1 3079 1 1 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 3095 3316 4021 4397 1 1 82.9614 *83.0367* 83.0367@2.8048627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4085 4388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9845 10854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4007 3994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0367 *83.9613* 83.9613@0.92041063 2549 2591 1 1 1 2173 3573 3586 2741 2416 1 1 1 1 1 1 1 1 1 2497 1 2844 2689 2601 1 1 2558 2815 1 1 1 1 3670 4056 2151 2197 1 1 2829 3079 4485 4666 4220 3852 1 1 2818 2926 4664 4738 3322 2969 1 1 1 1 1 1 1 1 3477 4161 4609 5175 3825 3710 1 1 2956 2987 2599 2800 2946 3027 1 1 2656 4242 1 1 1 1 1 1 2419 2528 1780 1 1 2335 83.9613 *83.9787* 83.9787@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.9787 *84.0318* 84.0318@14.6356 1 1 1 1 1 1 1 1 1 1 4276 1 1 1 1 2849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7691 1 1 1 1 1 1 1 5663 1 1 1 1 1 1 1 1 1 1 1 3276 1 1 1 1 11968 1 1 1 1 1 1 1 1 1 1 1 14118 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0318 *84.0319* 84.0319@14.041465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 4988 1 1 1 1 1 1 1 1 1 3821 1 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 1 1 2131 1 1 1 1 4534 1 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0319 *84.0319* 84.0319@14.606773 1 1 1 1 1 1 1 1 1 1 10093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3737 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0319 *84.0319* 84.0319@14.706728 1 1 1 1 1 1 1 1 1 1 10158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0319 *84.0319* 84.0319@11.148476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8271 1 1 1 1 1 84.0319 *84.0504* 84.0504@2.9039662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0504 *84.0559* 84.0559@2.9157162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6096 6232 84.0559 *85.05* 85.05@0.8660518 1 1 1 1 1 1 2842 1 1 1 1 1 1 1 1 1 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.05 *85.9678* 85.9678@0.78094816 1 6264 6995 1 7506 7269 7170 7497 7804 7663 7349 1 7436 7985 7724 7963 1 7233 8075 7982 7964 7542 7346 8073 7859 1 7517 7048 7397 6389 7883 1 7857 7700 7040 7140 1 7241 1 7471 7021 7064 1 7668 7720 1 7375 7360 1 7331 7981 8564 7323 1 7262 7255 8584 8200 7608 7073 1 1 1 1 7937 1 8123 7259 1 7335 6856 7467 7355 7448 7577 7677 7285 1 1 1 6939 1 1 1 1 7404 7178 7738 1 6501 85.9678 *86.0349* 86.0349@2.8728201 1 1 1 1 1 1 3852 4087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2289 5933 86.0349 *86.0351* 86.0351@0.8978535 6077 1 5102 3951 4610 9073 3954 6780 6893 8100 5409 5766 5617 5712 1 4429 11015 10664 5512 4619 1 10155 9711 6568 1 5726 4809 3971 1 4664 7055 6549 12018 6297 4675 4978 8351 7839 5282 5343 5201 6369 15436 17264 6187 6261 6610 7635 7577 6112 7684 9444 3545 6350 5963 3933 7079 6225 5135 5498 11316 7332 8751 8031 2852 21402 12507 10691 5475 5985 6237 7290 6082 5425 7105 6514 1 1 4731 4720 4050 5273 7839 1 5702 6764 5403 3704 8078 8985 86.0351 *86.0353* 86.0353@0.86352813 5439 12196 3784 5437 1 1 7241 3138 3805 3795 1 5384 3786 3617 9016 5679 5541 5067 5499 5587 12211 1 6355 5564 11804 5686 5166 4825 9370 5312 4978 4848 1 3975 4233 2922 5351 4115 3982 6278 2931 4948 5742 4840 3582 3369 3644 4275 4008 4177 3770 4356 6961 3594 4648 3887 4864 3147 4278 3214 1 6180 5778 3486 1 1 6239 5148 3670 4737 4149 5545 4493 3431 4499 4961 6361 10434 4195 3435 3304 4602 4691 4824 1 4764 4387 1 5000 5585 86.0353 *86.0364* 86.0364@1.0429966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10004 1 1 1 1 1 1 1 1 1 1 1 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10494 1 1 1 1 86.0364 *86.0364* Diacetyl - 1.5030674 27780 23449 14807 15770 22336 23916 16856 25672 1 1 1 25462 14508 15784 26984 22577 1 15243 29535 17818 20297 22579 9891 17021 21827 18830 19420 17554 24211 7233 29775 27972 21456 30245 20251 20976 22681 29767 33995 28862 22089 22575 17305 6350 18472 24202 17590 17120 31220 1 29923 1 13974 1 1 1 29436 34759 25339 28276 1 19258 19251 9564 29188 25721 9169 21057 1 14738 39550 38929 39614 33941 49517 66449 32304 20590 1 13768 52591 21876 30583 1 45017 1 28071 40425 1 1 HMDB03407 C00741 86.0364 *86.0365* 86.0365@1.4999326 1 1 1 1 1 1 15387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8603 1705 1 1 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16946 7857 19678 1 1 3955 1 1 1 1 1 1 1 23956 1 7302 26609 1 1 1 35679 1 1 1 1 1 1 1 1 86.0365 *86.0366* Diacetyl 13272 14042 10328 10349 13602 13962 15817 14822 11296 10668 12047 10570 7563 6777 13704 13037 15876 5389 14358 11228 10561 9227 10110 11339 10681 9480 8495 8590 7909 8631 14060 14318 16035 14894 10824 12279 14306 14551 16362 17482 11221 12044 12299 12501 8270 11616 12581 14909 14025 14231 14198 16262 9770 8449 10401 8443 13516 14639 11806 12017 15063 17533 12645 12378 16576 12851 12102 11216 9181 9977 12509 14344 14508 12850 14831 11484 16839 15752 15320 13773 16330 15842 11217 10270 16685 4158 13987 13921 13828 16138 HMDB03407 C00741 86.0366 *86.0366* 86.0366@1.2990291 1 1 1 1 1 11965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0366 *86.0367* Diacetyl - 1.259489 59128 59943 51415 49643 67969 57904 61675 57405 62808 61773 56774 59305 46811 44320 63560 62164 60406 62933 69123 62156 51106 50693 53811 50663 51607 48722 28976 27032 55362 49143 79582 81939 79895 83043 55903 56597 78847 72761 68120 63763 55922 57684 54207 60516 60467 65912 54060 58901 80716 73932 84653 87883 58256 61480 59503 61151 55798 51846 59032 60103 73110 74926 61486 65359 61107 57304 56647 61092 47545 45329 61275 59714 69053 55960 40465 39894 93801 89001 48255 45308 78722 76505 66400 66465 51778 58342 64026 64286 58988 60431 HMDB03407 C00741 86.0367 *86.072* 86.072@4.7801394 4232 4878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4242 1 1 1 1 1 1 1 1 3907 1 1 1 1 1 1 4678 4261 1 3659 1 1 1 4801 1 1 4210 4637 1 1 1 5371 1 1 1 1 1 5189 4282 1 1 1 1 1 1 1 6141 1 1 1 1 1 3968 1 1 1 1 5159 7307 7829 1 1 5304 4673 1 1 1 1 1 1 86.072 *86.0725* 86.0725@4.7458024 8764 8436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5968 3819 1 1 1 1 1 1 1 1 1 1 1 86.0725 *87.0323* 87.0323@13.47 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0323 *87.0328* C3 H5 N O2 1 1 1 1 1 6241 11057 1 1 1 1 1 1 1 6611 1 1 1 1 6444 1 1 1 1 6748 7008 6329 1 1 3524 7631 1 6843 1 7431 1 1 1 1 6420 1 1 1 1 1 1 1 1 1 1 1 8549 1 1 6829 1 8301 9803 1 1 7189 7811 7352 1 1 1 1 1 1 1 1 5023 1 1 1 1 7540 1 1 1 8219 8160 7269 8279 10937 10453 8332 8912 7863 1 87.0328 *87.04* 87.04@1.2818457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.04 *87.984* 87.984@0.78043467 37341 35122 39380 39364 40968 41263 40779 39591 39993 40994 40615 39035 40992 39570 41674 41183 40160 39041 41029 42293 39771 40175 41330 38861 37053 35278 37937 39001 36601 36157 40831 41737 39441 37115 36560 36805 35007 36319 39358 37198 36606 38129 38388 37330 37062 37264 37888 38846 38350 38647 40940 41656 35760 36598 37721 38121 40640 40645 36935 36465 32827 31797 33303 33292 40605 40768 39055 39379 40930 40204 36429 37662 36873 36067 38146 38778 38109 38546 38573 38644 35902 36032 34560 33068 37983 37973 36701 36499 34838 35868 87.984 *88.0156* 88.0156@0.87149954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0156 *88.0156* 88.0156@1.7839729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0156 *88.0157* Pyruvic acid - 2.9096313 8034 7733 4302 4236 7188 7377 12715 14972 3827 3142 1581 4376 17269 17739 5859 5745 9787 8576 4571 4739 10079 9149 4762 4959 8076 7102 4054 4165 5649 5263 5251 4496 8196 7520 4140 4399 8129 8756 23126 21869 10245 8270 4403 4497 10370 10996 7662 7788 3867 4065 12427 12459 3591 3231 5912 5501 4408 4902 7607 7216 4677 4598 3490 1 4223 3974 4060 3577 5335 5675 6538 6129 7633 8365 6173 6191 5361 5393 6813 5828 3399 3611 5196 4867 6724 5785 4169 4527 69666 71673 HMDB00243 C00022 88.0157 *88.0157* 88.0157@1.1729848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0157 *88.0158* Pyruvic acid - 1.0565577 215406 206058 54132 59086 108359 1 41787 156698 4494 41528 46864 43522 128659 133099 1 103357 6654 1 1 1 200795 186632 89664 89838 189591 5653 158978 154914 272291 253411 31687 31400 258310 6933 33439 178899 85139 85504 103982 101254 208567 215380 55832 55709 8671 72313 44254 80367 20603 76236 66639 64378 190721 28011 5975 52780 55863 57658 46802 56305 48407 50807 81935 83555 38235 87695 64417 61930 88991 82036 60744 58040 1 1 46688 46063 69872 42324 28393 31905 54701 53177 50917 47993 86467 69191 71971 1 290080 278100 HMDB00243 C00022 88.0158 *88.0158* Pyruvic acid - 1.1454303 170837 181285 55631 57058 102044 63748 4412 1 41864 10243 19055 21503 121519 125468 114858 114713 79926 75231 125577 117451 154767 172928 76112 82091 189879 185721 137899 143204 222715 217922 152799 136137 220875 281732 113320 161055 76745 24628 77135 78600 191083 188506 12024 11697 44092 12725 48868 45897 62194 103082 65103 53535 174311 182152 161759 163752 11148 51025 67075 65094 55061 53073 9556 8050 59139 42715 35334 15597 121544 120492 123945 112769 102897 108306 28760 36173 6102 41034 39889 32957 39787 39483 6275 20418 93667 90671 123663 129707 243871 245279 HMDB00243 C00022 88.0158 *88.0158* 88.0158@1.12238 1 1 1 1 1 1 1 1 44786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70310 1 1 1 1 52634 49618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30625 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0158 *88.0158* 88.0158@1.380942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0158 *88.0159* Pyruvic acid 55612 57012 70491 70841 83627 82208 3647 40421 1563 3821 9808 9469 47221 47163 69653 71653 59879 54882 74604 69158 44931 46416 49253 53095 37119 40213 60401 59649 47653 49679 5323 6085 42106 32675 6991 35546 3720 3706 5105 5498 73175 74383 6815 8875 67920 5335 76296 3675 82446 85726 4598 61402 27499 4663 53107 3769 8626 8311 81245 79035 3931 3761 7538 9839 86320 3790 7608 6796 98495 98644 5242 5875 68077 65888 7273 7897 2265 70591 60831 57773 7284 5089 4526 4476 67950 5505 7130 71963 48403 48714 HMDB00243 C00022 88.0159 *88.016* Pyruvic acid - 1.2166147 102502 100870 86562 91927 113546 115327 93219 93613 102163 33488 40623 107386 81914 78255 104198 101743 79845 85755 120017 115427 112545 100497 91871 91443 102293 198670 1 81936 103035 71421 117808 111871 147769 204112 90488 106110 91582 120639 84642 69384 105404 101817 92839 103568 22564 24993 108175 47338 92905 137443 51589 138522 120216 196230 169674 171907 34153 34115 97607 106672 58502 59600 15467 16611 100037 49640 42489 29787 1 1 98051 111813 1 1 23573 1 133596 133788 1 1 45724 50254 33484 23274 1 80777 122883 122256 124843 126697 HMDB00243 C00022 88.016 *88.016* Pyruvic acid - 1.2594115 1 1 1 1 1 1 89040 1 39904 99170 107176 1 1 1 1 6078 93182 1 1 1 1 1 1 1 1 107811 97493 4986 1 28977 127290 131436 1 151496 103373 1 121277 88771 108827 117900 1 1 8637 68450 101685 115310 1 98565 137340 1 142595 1 1 97109 111615 102748 120587 114288 1 1 128796 136848 108670 105316 1 104329 102635 96344 93063 87156 115724 121402 117117 119908 120624 126471 43217 1 127615 130104 143935 152089 125450 122375 110787 119327 1 1 1 1 HMDB00243 C00022 88.016 *88.0166* 88.0166@2.8958025 1 1 1 1 1 1 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0166 *88.0514* Acetoin - 3.5205564 3054 2574 3792 3315 5352 6038 4377 4466 1759 1 3938 3949 2856 2643 1 2141 2256 2336 4615 4703 2737 2515 3182 2933 3926 3927 3066 3073 3154 2903 2808 2920 3617 3686 1 1 2593 2887 3833 4041 1 1 3015 3081 3287 3334 2300 2749 3414 3727 4675 5106 2604 2532 3263 3751 3212 3423 2756 2834 1 1827 2937 2893 1 2378 3223 3127 3064 2396 1 1 3635 3773 1940 2475 3791 3867 4397 4522 3869 4081 2835 2712 1 2399 4660 4547 2527 2864 HMDB03243 C00810 88.0514 *88.0519* Acetoin 8195 8403 5835 5820 10880 11745 19836 20758 7994 7518 9513 8738 5953 5137 7023 6862 8195 6725 6833 7226 13644 14151 10967 11273 6438 5963 7433 7452 20905 21109 10862 10841 11417 11708 6166 6892 5278 5413 7833 7890 5232 5121 7618 7418 8911 9563 6870 6660 10859 10903 9919 9419 15841 15244 6301 6710 14313 13239 7102 7480 5910 5461 8216 8219 7254 7131 9727 10131 5630 5554 7937 7749 10052 10627 8430 7548 8294 8848 24424 24259 16176 16184 13404 12979 19993 21416 13785 13721 20566 20154 HMDB03243 C00810 88.0519 *88.0524* 88.0524@2.9820402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6699 6864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0524 *88.0951* 88.0951@1.1293151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3288 2324 1 1 2936 2984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2965 2783 88.0951 *89.0199* 89.0199@1.1049709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3449 1 5854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5250 1 1 1 89.0199 *89.0422* 89.0422@0.9989423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0422 *89.0459* C3 H7 N O2 31063 30795 21010 20779 19088 20673 15485 15542 11955 15341 27507 26763 15563 16408 21596 19897 22045 20925 30998 28278 21137 20908 27577 27390 25451 25388 21877 20124 26375 26048 16702 17380 27004 27387 23274 24560 35444 32070 16409 17041 22802 22053 25001 26002 16268 16040 15462 15748 28037 27759 29700 25038 23123 19960 22291 22859 17047 14093 16969 17300 26981 27556 15409 15495 23932 22476 27357 28169 18867 15851 26751 29647 20680 21039 18960 19179 26299 25942 17815 18301 25483 25961 24414 22910 17858 19188 19117 18889 20957 22334 89.0459 *89.0462* 89.0462@0.9862948 1 1 4269 3543 1 7820 1 1 1 3243 1 4204 4566 1 1 1 6034 1 1 1 7031 5433 1 1 1 1 4462 3678 1 3105 1 2871 1 3252 1 1 3559 4532 1 6296 1 5334 1 6413 5876 4627 1 3651 1 1 1 1 1 1 1 1 5106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4952 1 1 1 1 1 1 3109 1 1 1 1 1 89.0462 *89.0467* 89.0467@2.1025505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 4050 1 1 1 1 89.0467 *89.0471* beta-Alanine - 2.075091 5423 1 1 5009 1 1 2660 7754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4224 4404 1 1 1 1 2468 6549 1 1 1 1 1 1 1 1 1 1 1 5822 1 1 1 1 6182 3918 1 1 1 1 6016 6558 1 1 5418 5266 1 1 1 1 5225 5112 1 1 1 4261 1 1 1 4037 1 1 10801 10305 7512 8033 6855 3465 6580 2707 6335 1 5387 5214 C00099 89.0471 *89.0475* beta-Alanine 11968 18026 11709 8779 41507 35621 16220 15885 16294 11121 17800 18564 17900 22180 21988 22366 1 21290 12583 12403 24259 29818 18383 13744 42863 41846 18187 16418 25751 17482 36329 35021 19160 15908 23902 24468 15703 1 21725 15577 19660 1 4785 1 15782 1 17704 14960 23722 23621 17965 7158 5757 29672 20116 5448 23778 29723 26127 26595 25754 28586 6355 21285 25503 28975 30179 29505 30552 35304 10768 43799 39060 9358 27867 28361 20988 16043 34493 33969 24693 24566 27890 29481 21450 27898 26301 23774 30809 28666 C00099 89.0475 *89.0476* 89.0476@0.92840385 6911 1 1 1 1 1 1 1 1 1 3759 1 1 1 1 1 1 1 1 5424 1 1 1 1 1 1 1 1 1 3997 1 1 1 1 1 1 1 1 1 1 1 14860 24824 1 1 1 1 1 1 1 1 15246 22036 1 1 15040 1 1 1 1 1 1 15177 1 1 1 1 1 1 1 30934 1 1 27142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0476 *90.0303* C3 H6 O3 579029 667909 387419 105804 146854 143254 177831 192670 122405 123991 203627 256850 192197 164601 170541 194269 131459 246754 201555 210864 116193 543206 270225 142596 152271 141298 129338 123533 253361 238758 172424 169462 565433 124179 218829 190273 273698 85310 198031 170955 192116 190038 299160 62713 175258 165412 184873 125197 220969 194983 38321 198681 146540 43550 244815 637588 24778 29353 180946 195661 174987 308999 38929 1 4113 38229 272188 75374 142789 138371 240701 239534 229081 243521 231130 240066 167401 812936 226932 203377 254901 247011 279801 281591 169288 195755 190364 238913 212479 57448 90.0303 *90.0307* 90.0307@14.778571 1 1 1 1 1 1 1 1 1 1 20886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0307 *90.0309* 90.0309@14.7038765 1 1 1 1 1 1 1 1 1 1 8461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0309 *90.031* 90.031@14.850274 1 1 1 1 1 1 1 1 1 1 7988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.031 *90.0311* 90.0311@0.75535196 1 1 4029 1 4335 1 11090 1 1 7334 11225 1 4081 8315 1 3044 1 1 1 1 1 1 14977 1 1 16403 1 1 15683 8655 1 1 1 1 5083 1 16070 1 4737 16481 1 20324 1 1 12972 1 4279 1 4777 1 1 18600 1 1 1 18500 1 1 1 12681 1 19014 1 1 1 1 1 1 3436 26063 1 1 1 4135 1 1 1 13781 4507 1 1 1 20143 5196 1 1 1 1 1 1 90.0311 *90.0311* 90.0311@13.483077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12360 1 1 1 1 1 1 1 1 1 16940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0311 *90.0311* 90.0311@13.608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0311 *90.0311* 90.0311@14.819403 1 1 1 1 1 1 1 1 1 1 11820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0311 *90.0312* 90.0312@0.65582466 28029 1 1 36629 39019 1 20789 1 1 18112 9092 1 1 24222 1 1 1 1 37805 41486 1 1 1 1 30973 1 1 1 1 10919 1 1 48218 1 1 1 14485 49139 37315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52016 1 1 46719 1 1 57826 1 1 1 1 1 65306 1 1 1 1 1 63414 1 1 43360 1 1 1 1 53976 71052 1 1 1 1 1 1 90.0312 *90.0312* 90.0312@3.9763489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13383 1 1 1 1 1 1 1 1 1 1 19020 1 1 1 1 1 1 1 1 1 18502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0312 *90.0312* 90.0312@10.94908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6580 1 1 1 1 1 1 1 1 1 1 11885 1 16916 1 1 1 1 1 1 1 1 1 1 20375 1 1 1 1 1 1 1 1 1 1 1 20078 1 1 1 14248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0312 *90.0312* 90.0312@5.213102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0312 *90.0312* 90.0312@11.246752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0312 *90.0313* 90.0313@0.7015474 1 1 17982 1 1 13505 1 10470 1 1 5672 1 1 1 1 17743 1 1 1 1 22840 1 1 17002 9538 1 1 1 1 9063 22382 23422 1 1 22657 1 1 1 1 4848 1 1 51714 1 1 33531 20913 25284 24274 55015 1 1 27181 39379 1 1 1 1 46915 1 22599 1 1 19867 1 1 1 38457 1 1 30496 23277 54150 1 1 1 1 1 52979 1 1 25481 1 1 32269 1 58450 57489 55849 1 90.0313 *90.0313* 90.0313@2.804101 1 1 1 1 1 1 21817 25934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15103 1 1 1 1 1 1 1 1 1 1 25694 1 1 1 1 31410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47224 1 1 29986 1 1 1 28824 1 1 1 1 1 1 1 1 1 1 1 1 29148 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0313 *90.0313* 90.0313@2.0603461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29766 1 1 1 1 1 1 1 1 1 1 1 1 27074 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0313 *90.0313* 90.0313@2.2761939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32476 1 1 1 1 1 1 1 18577 1 1 1 1 48739 1 1 1 1 1 1 1 40474 1 1 1 1 1 1 1 1 1 1 1 40733 1 1 1 6858 1 1 1 1 1 1 1 1 1 1 1 1 39519 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0313 *90.0313* 90.0313@2.3348258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0313 *90.0313* 90.0313@1.0380214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0313 *90.0314* 90.0314@1.4384911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36204 1 1 1 1 1 1 1 475058 1 12469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70022 1 1 1 1 1 1 1 47261 1 1 1 1 54507 1 219928 1 1 1 1 90.0314 *90.0315* Lactate 1 71745 164209 206392 1 200715 1 1 104680 163288 1 1 1 1 182881 8867 1 1 206438 159395 38597 1 120729 1 77643 78833 337621 1 1 149155 1 246375 1 168730 119174 1 174670 159738 254074 41947 205553 158918 1 1 1 1 184766 88475 1 162961 39345 145350 247010 1 1 1 1 114849 1 6696 143602 1 1 28481 1 196193 1 152523 1 1 147620 155763 1 94494 76301 175653 101616 51251 196140 1 164046 1 1 115737 144894 112176 95892 166889 123862 140663 90.0315 *90.0317* Dihydroxyacetone (glycerone) - 1.3661408 409777 352964 755837 475058 441956 470157 1 1 1 230767 290874 1 1 1 556932 1 1 1 782176 624820 309698 1 413724 1 329938 576311 2021301 416801 1 501470 1 310193 387187 803723 1934442 262793 202538 673857 1 179116 592524 294805 494030 1 1 1 244686 356700 862402 526512 232895 296742 409434 1 1 1 1 535096 1 1 739513 1 1 151129 1 897445 1 246291 1 1 768208 1 1 1 147867 472184 266290 634548 373569 1 1 1 404687 528112 614311 784272 190812 277205 273292 318178 C00184 90.0317 *90.0318* Dihydroxyacetone (glycerone) 1 1 1 1 399782 393730 424799 567265 501032 506710 415117 383767 349984 402406 330199 331006 1 473032 509588 428093 1 1 435410 1 1 1 1 1 329032 354915 480030 549787 1 1 424880 445284 531438 138753 302996 348674 474983 479689 1119558 1352884 408891 421847 592695 1 596275 628284 791388 643106 507552 676146 427155 1 651899 517309 478676 514042 5337 678171 244732 165786 908684 1013103 733790 143943 509254 506882 591745 596853 517241 457459 649179 541096 3778 1 453580 532499 500847 444909 587266 614831 804640 742017 494539 466439 1 1179110 C00184 90.0318 *90.0319* 90.0319@0.8142523 1 1 1 1 1 1 3511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4103 1 1 1 1 1 4688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4985 1 1 1 1 1 1 1 90.0319 *90.0322* Dihydroxyacetone (glycerone) - 1.278433 2880274 2906734 2079766 2298845 2390819 2203517 1536969 1553514 1257500 1014872 2801677 3229735 1992637 1995712 2187074 2970427 2733013 2720516 3130889 3377855 3393851 3739778 1892885 2085519 2836037 2589577 2472404 4218915 3998770 3418225 1929826 1392909 3534887 2907894 12014 2307928 4007071 3564524 5221025 5300082 2725169 3075715 3575265 4081565 4118181 4123861 3253612 3282223 2422215 2543006 2265543 1944299 2227252 2449290 4026608 4095977 3631853 3011777 3733779 3765073 2966648 3877551 3359328 2787508 3580341 3092407 4194878 3666781 3521369 3533890 3002079 3681246 4298265 4193368 2592311 2174906 3622822 3284521 3963513 4562757 4607922 4824664 2065499 1860820 2954824 2607379 3613435 3466632 3461378 3454444 C00184 90.0322 *90.1099* 90.1099@0.87401927 1963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 3377 1 1 1 1 1 9361 4167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.1099 *90.1117* 90.1117@1.3636585 1 1 1 1 1 1 1 1 1 1 8360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54152 1 1 1 1 1 1 1 1 1 1 1 90.1117 *90.112* 90.112@1.299087 1 1 1 1 1 1 1 1 1 1 35655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.112 *91.016* 91.016@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.016 *91.0168* 91.0168@14.713836 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0168 *91.0172* 91.0172@13.538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0172 *91.032* 91.032@0.86892045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.032 *91.0335* 91.0335@0.87590945 1 1 1 1 1 2805 1 1 1 1 1 1 1 1 1 1 6613 1 1 1 1 1 1 1 1 1 2035 1 3589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1 4902 1 1 1 1 1 5583 1 1 1 1 3413 1 1 1 1 1 1 1 1 1 4010 5204 1 1 1 1 1 4375 1 1 1 1 5797 1 1 1 1 1 6371 1 91.0335 *91.0341* 91.0341@1.4398386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0341 *91.0345* 91.0345@1.4068213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6293 10789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0345 *91.0358* 91.0358@0.9030334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0358 *91.1156* 91.1156@1.2804103 2684 2011 1916 2503 1 1 1 1 1 1 1 1913 1 1 2479 1507 1 1 3534 3775 2808 1 1 1 1775 2817 3450 4124 3423 3673 1 1 2781 2588 1 1 3553 3840 5576 5392 3138 1921 2583 2664 3173 3872 2237 2022 2157 1777 1 1 1 1 2389 3987 2651 2665 2480 1983 2227 2113 2550 2311 2582 2650 2560 3942 2524 1857 3291 2857 3277 3125 1842 1 2032 2719 2583 3501 4538 3825 1 1 2454 2917 3269 2263 2239 2530 91.1156 *92.0109* 92.0109@14.691925 1 1 1 1 1 1 1 1 1 1 4687934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0109 *92.0114* 92.0114@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7651297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0114 *92.0355* 92.0355@1.3989351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3796 1 1 1 1 1 1 1 1 1 1 1 92.0355 *92.0356* 92.0356@1.3599932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 5813 1 1 1 1 1 1 1 1 1 1 3658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4542 1 1 1 2790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0356 *92.036* C5 H4 N2 20437 19995 15433 15915 15284 14754 7372 8783 7615 8027 14569 16711 9324 10918 14775 16209 13842 13066 22132 20001 20309 19859 11487 13005 16040 15475 26347 29565 22180 21247 9928 9431 19692 19318 13097 1 21661 25164 28590 29310 18448 19303 21293 20005 25399 23250 17118 18308 20598 18246 13792 13145 1 14763 22522 22375 18527 19392 18895 19139 21677 23570 18172 15828 21702 21230 21455 18700 17149 17926 1 20539 21235 23662 15046 13949 21726 21595 25043 22549 30922 26821 13998 14076 23936 19801 18349 19471 19646 20487 92.036 *92.0618* 92.0618@5.9729557 1 1 1 1 1 1 1 1 1 1 2808 3379 1 1 1 1 1 1 2372 2136 1 1 1 1 3892 3757 1 1 1 1 1 1 1 1 2468 3040 1 1 1 1 1 1 1 1 3946 3928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 2925 1 1 1 1 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 5262 5138 1 1 92.0618 *93.0319* 93.0319@0.604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0319 *93.0321* 93.0321@14.78355 1 1 1 1 1 1 1 1 1 1 5904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0321 *93.0322* 93.0322@0.65165263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3051 1 1 1 1 1 1 1 1 1 1 1 1 1 10579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0322 *93.0322* 93.0322@0.7057751 1 1 1 1 15528 1 1 5268 1 1 3743 1 1 1 9601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3516 14256 1 1 1 1 8828 1 1 1 1 9578 1 1 1 1 1 1 1 1 1 1 1 8199 17384 1 6603 1 1 8658 9990 1 11485 1 1 1 1 1 1 1 1 1 7946 5154 6263 1 5338 1 1 1 1 1 1 6043 1 1 1 1 1 1 1 93.0322 *93.0323* 93.0323@0.6275151 1 1 1 1 1 1 1 1 1 1 4607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0323 *93.0323* 93.0323@1.1747767 1 6676 3499 1 5040 1 1 4235 1 1 1188 3789 4167 1 1 4713 6326 1 1 9048 3802 6425 1 1 1 1 1 6912 1 1810 7472 1 7753 1 1 1 6222 1 3600 8142 1469 1 5687 1 4059 1 1 1 1 8339 5764 9660 5743 6428 1 6329 7041 8398 1 6324 5914 4643 5234 1 6057 7369 1839 1 9067 1 1 1 1 5803 8512 1 1 4851 1833 1 10326 1 10527 1 1 1 1 1 4469 1 93.0323 *93.0323* 93.0323@1.1185409 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 1 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2052 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 3981 1 1 1 1 1 1 1 1 1 1 1 93.0323 *93.0325* 93.0325@0.77798957 2733 1 1 1 1 1 1 1915 1 2010 1 1 1 1 1 1 1 1 2375 2442 1 8235 8293 1 1 7084 1 1 1 4444 1 1 1 1 1783 1 2237 1 1989 1 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 1 1 1 1 1 1 6176 1 1 1 1 1630 1 1 1781 1 1 1927 1 5396 2189 2029 2147 1 1 1 1 1 1 93.0325 *93.0955* 93.0955@13.475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0955 *93.124* 93.124@13.476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.124 *93.9347* 93.9347@0.89700645 1 1 1 13319 1 1 1 1 1 8196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3770 1 1 1 1 1 1 1 12713 1 1 9345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2964 1 1 3454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189397 1 260798 1 1 1 1 1 1 1 93.9347 *93.9349* 93.9349@0.8477445 345223 344929 384693 377740 392258 392504 407013 407447 413693 412413 350439 348632 416988 415526 415497 418904 433052 426435 407719 409136 390732 392008 404743 405713 412727 404625 414501 406888 397290 394998 408272 405739 402554 397024 402581 410097 400991 409235 403431 409074 414801 412551 409369 416060 438043 437617 424567 423097 445914 442614 431106 427931 451359 455469 433378 432672 440744 436830 416480 420712 412798 412866 408970 404553 439600 431971 422250 433087 462185 472270 404861 409414 430166 426403 440399 451966 437748 437719 450812 453702 269499 460895 175102 439113 442089 439063 447048 448402 445626 445250 93.9349 *94.0146* 94.0146@0.8709381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 1 1 1 1 1 1 1 1 1 94.0146 *94.017* C4 H2 N2 O 6762 3853 1 6416 3368 1 8182 8139 8198 8461 5885 1 1 7121 7075 4485 8875 1 8268 8168 7475 6582 3735 6125 8432 8393 8417 8262 7600 8244 8284 8325 6702 8107 8103 4567 1 1 6650 7971 4036 7148 7117 8313 7968 8645 8470 7059 8788 8962 8645 8938 9019 9489 8473 9152 5240 9004 8377 5042 6523 8168 8823 8466 9120 7363 4961 6184 9982 10189 7925 1 2167 3663 6711 9412 4708 4809 1 5313 8338 9190 3958 9130 1 8911 7906 4150 1 8909 94.017 *94.0409* 94.0409@3.171737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 3614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 4567 1 2464 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 94.0409 *94.0411* 94.0411@3.8915324 1973 1 1 1 1 1 1 1 1 1 10197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1462 1 1 1 1 1 1 21080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0411 *94.0411* Phenol - 5.4386764 1710213 1737356 7427 5577 9410 9442 113505 111504 214947 219262 7378 1254856 26974 26965 21189 21732 30171 29192 350698 353580 567169 562656 255147 258607 14798 14436 5601 6489 12194 10715 1 1 4585 5345 2093862 137345 7924 8956 6686 85740 179008 182533 8031 9574 325616 323310 9629 9108 11134 11175 6628 6041 22097 22143 4127 5064 206027 205457 143585 147553 7639 8939 50431 50328 130908 133826 158940 156978 158530 161815 2318620 185979 1 3669 39324 30264 135441 134571 4638 3536 29990 30727 244559 240067 46277 47123 59445 1587406 7124 4565 HMDB00228 C00146 94.0411 *94.0411* 94.0411@3.486157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11974 12773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3244 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0411 *94.0411* 94.0411@4.93685 15726 14995 1 1 1 1 1 1 3520 3359 13350 13483 1 1 1 1 1 1 4833 6390 4197 4576 1 4422 1 1 1 1 1 1 1 1 1 1 18147 20353 1 1 1 1 4300 1 1 1 3012 1 1 1 1 1 1 1 1 1 1 1 1 3759 1 1 1 1 1 1 2257 2692 1 1 1 1 8187 10097 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 31863 32153 1 1 94.0411 *94.0411* 94.0411@4.300972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2591 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0411 *94.0411* 94.0411@2.2917109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0411 *94.0413* Phenol 12737 13988 39834 41074 37557 38678 133892 132851 8894 9067 3803 14165 21933 24280 13981 14755 21008 21254 27911 31578 27490 26510 17292 17303 10801 11972 73477 73850 93678 89825 51190 49704 102981 100369 47499 45932 198033 220313 12873 10989 67528 69578 62235 59797 39855 41215 97189 97000 25511 23076 124144 131303 80512 81907 76186 75633 24928 25370 36736 36134 135666 135697 54894 53797 35545 34622 88786 84650 19907 18244 18979 17804 21582 21960 41495 43646 26771 28048 80398 82030 107626 108259 31686 34567 50541 49917 81217 81152 67368 65811 HMDB00228 C00146 94.0413 *94.0414* 94.0414@5.548711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0414 *94.0422* 94.0422@5.4675674 1 1 1 1 1 1 1 1 1 1 1262191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6546 1948572 1 1 80030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024821 1 1 1 10788 1 1 1 1 1 1 1 1 1 1 1583146 1 1 1 94.0422 *94.0446* 94.0446@0.86904204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0446 *94.052* C5 H6 N2 5462 6503 7639 6966 1 7271 7101 6878 7926 8241 6278 6632 8579 7142 7763 8005 7817 6780 6487 6590 5104 5706 6897 6693 6224 6597 6229 6162 6760 7014 6190 6454 7126 6612 6504 7995 6883 1 6915 7377 1 7109 7471 1 7128 1 7143 6811 1 8191 6284 6365 6933 7160 8386 8232 7504 7878 1 7538 7259 6869 5206 5266 8802 8879 5758 6959 7832 7278 6969 7687 8369 7458 7655 7537 6349 6868 7115 7378 7222 6371 6368 6298 6584 6935 9216 7971 7981 7345 94.052 *94.1235* 94.1235@5.4334087 1 1 1 1 1 1 1 1 2935 3127 1 1 1 1 1 1 1 1 5624 5995 12495 12279 3819 4260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 1672 1 1 5635 5063 1 1 1 1 1 1 1 1 1 1 2700 2955 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3709 3401 1 1 3204 1 1 1 94.1235 *95.0365* 95.0365@1.5482892 1 1 1 1 1 1 1 1 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 1 1 7226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11845 1 1 1 1 1 1 1 1 1 1 1 8009 1 1 1 1 1 1 1 1 6784 1 1 1 10217 1 10988 1 1 1 1 1 1 1 1 1 16841 17231 1 1 95.0365 *95.0367* 4-Hydroxypyridine 4764 4981 1 1 18058 19763 20856 21620 45459 47721 20179 20648 14604 15721 1 1 10533 11550 21197 21914 1 1 24453 24194 7810 8188 1 1 6410 2818 1 1 6240 6284 9315 16457 1 1 1 1 27169 26242 1 1 1 4166 16532 16373 12791 1 1 1 1 1 1 1 1 1 9415 9017 8107 1 1 1 46621 46694 16465 15282 1 1 1 6709 29860 29619 1 10230 1 12101 1 1 6385 7011 1 1 25792 26113 1 1 1 1 95.0367 *95.044* 95.044@5.5195794 1 3143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.044 *95.0442* 95.0442@3.826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0442 *95.1277* 95.1277@5.4312763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.1277 *95.9318* 95.9318@0.84817827 223246 219242 1 1 1 255598 1 261651 1 1 227729 1 272679 269925 263889 1 280160 279646 1 264463 251044 1 261945 260144 267526 265197 1 257495 254304 166275 260620 258471 255384 260366 260890 259474 262875 262920 1 1 267184 1 266910 262600 283379 282419 1 266509 272754 1 273871 276761 1 1 275660 281558 1 1 1 1 266377 270379 263962 261376 284184 281019 276530 280197 1 1 1 266170 277078 1 291950 1 285958 289063 1 294717 1 300601 285988 284942 1 286548 1 1 293200 292161 95.9318 *95.9319* 95.9319@0.8487254 1 1 246512 246400 250464 1 260990 1 267484 271049 1 223948 1 1 1 266518 1 1 263390 1 1 250410 1 1 1 1 259399 1 1 88857 1 1 1 1 1 1 1 1 257871 262992 1 266575 1 1 1 1 272403 1 8914 283858 1 1 287125 293233 1 1 282686 281847 268743 274934 1 1 1 1 1 1 1 1 301951 301182 258177 1 1 280543 1 291626 1 1 296098 1 298329 1 1 1 286472 1 292586 290842 1 1 95.9319 *95.9866* 95.9866@0.9070319 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.9866 *96.0146* 96.0146@0.8560554 6932 6779 6963 6666 5105 6372 7919 7492 6808 6629 6931 6172 7192 9457 6967 6987 8335 7848 7556 7670 6385 6324 7230 7469 7911 8099 6114 6999 7069 6490 8140 7263 7794 6125 7128 7119 7954 7578 6409 6141 7192 7412 9678 9271 7536 7621 7267 7006 7451 7607 7815 8243 5930 8264 6763 7376 6096 7440 7011 7153 8094 8460 8026 7522 5302 9264 9678 8581 7856 7366 7212 5800 7170 7061 7921 8127 6637 8468 7454 7409 8053 8000 8083 8649 8064 7868 6693 7233 9041 6716 96.0146 *96.018* 96.018@0.8979533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2763 96.018 *97.0273* C3 H3 N3 O 4475 4733 2958 3646 3650 3283 5409 5079 3290 3225 3174 3189 3250 2758 2821 2679 2602 2560 3540 3193 3391 3346 3443 3306 4337 4066 2624 2380 3069 3162 2463 2552 4845 4540 4167 4424 5244 5296 3402 3306 3677 3120 2892 2544 3698 3780 2982 3065 3018 2768 3755 3717 3093 3276 2946 2747 3744 3391 3176 3080 3292 2896 3059 2811 2924 2850 3323 3752 2706 3105 2388 2445 3612 3450 2449 2285 2820 3075 6113 6341 4340 5066 6072 5870 4941 5213 2567 2843 2669 2576 97.0273 *97.9288* 97.9288@0.8486248 34445 35100 1 38075 1 38992 40355 39076 41227 1 34383 34050 41131 41580 41128 1 42191 43295 1 38779 37385 37987 40363 40206 39934 41355 39599 40246 38623 25494 40761 40597 39874 41184 40308 39825 39692 40363 40166 40916 41586 41107 40279 40203 43343 42158 41541 41814 43623 43289 42442 42596 1 45659 42325 42447 1 43560 41174 42778 40683 41112 40917 40601 44279 42201 41792 42729 46490 46560 42100 40559 43054 42963 44884 45822 43566 43900 45821 45633 45903 44383 42192 44167 44406 44836 44948 44563 45491 44959 97.9288 *97.929* 97.929@0.84426844 1 1 37487 1 38262 1 1 1 1 42204 1 1 1 1 1 41051 1 1 40765 1 1 1 1 1 1 1 1 1 1 13835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43676 1 1 1 41389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.929 *97.9675* 97.9675@3.1259928 1 1 1 1 1 1 2605 3468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9675 *97.9688* 97.9688@2.8652046 1 1 1 1 1 1 1 1827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9688 *97.9697* 97.9697@1.1820432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9697 *97.9698* 97.9698@0.8032867 48674 48894 50004 49378 56377 56520 105227 104743 57309 55479 50570 49592 1 1 50483 51949 45472 43805 45263 45681 49167 48137 48833 49366 46901 48103 46572 1 43530 40999 50618 48281 46327 46094 48958 48348 38063 1 1 1 34048 34976 1 1 39114 38583 1 1 43495 43182 45303 47029 1 1 33370 35431 58112 58129 1 1 41701 41500 1 1 43914 42793 1 40532 1 1 1 1 1 1 1 1 1 50757 84577 85957 39425 39470 54414 52423 69118 67823 58148 61489 1 1 97.9698 *97.97* 97.97@1.0276875 1 1 1 18440 1 1 12505 39094 1 22763 9695 1 1 1 1 17460 1 1 30737 12051 8539 1 1 11480 1 19271 3233 1 1 6412 22029 1 27014 1 10266 1 2641 1 9715 9067 17735 1 1 1 1 1 1 2551 1 22582 1 25743 23386 17978 1 1 1 1 1 10650 1 21245 1 1 1 1 1 14964 1 1 1 1 1 1 1 1 2787 1 1 1 18313 1 1 1 1 1 20537 1 1 1 97.97 *97.9701* 97.9701@1.2185223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 1 2554 1 1 1 1 1 1 1 1 1 1 3316 1 1 1 1 1 1 1 1 1 1 1 1892 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.9701 *97.9708* 97.9708@0.9647168 25758 1 1 10646 16367 1 1 19826 1 1 1 1 1 1 1 1 1 1 1 12142 12810 29185 1 1 23377 11931 9897 23328 14481 5717 1 1 1 11800 1 1 13335 1 1 22691 1 28424 1 1 1 1 17642 18310 1 9745 17709 1 1 9319 1 1 1 1 20669 1 1 1 16551 1 11806 1 1 1 20673 8433 1 1 16233 15014 1 1 1 1 35987 1 1 1 1 1 1 39555 13437 28742 1 1 97.9708 *97.9714* 97.9714@0.80842453 1 1 1 1 1 1 1 1 1 1 1 1 38687 38859 1 1 1 1 1 1 1 1 1 1 1 1 1 45602 1 3572 1 1 1 1 1 1 1 34673 45006 50317 1 1 43016 43695 1 1 44725 43364 1 1 1 1 42613 42285 1 1 1 1 30324 31101 1 1 31718 31332 1 1 41596 1 36057 35959 46379 43560 30794 31133 40625 40280 49345 1 1 1 1 1 1 1 1 1 1 1 36125 35397 97.9714 *97.9729* 97.9729@0.9062376 24336 28207 1 19929 34252 25355 36748 1 31666 1 21786 29809 11024 35906 1 24849 28073 32118 21129 22961 26481 19441 26412 30867 28080 28336 1 1 1 9696 43115 1 25734 26962 1 56541 32167 43525 32666 18859 18920 19692 60569 62950 36021 35902 30614 31512 1 25439 23584 32000 30729 1 1 40829 27921 56675 23474 25477 43519 26613 25808 1 25378 30404 47372 54913 23231 32592 35587 42525 30172 29516 1 1 55957 39129 29495 34331 19916 25168 37000 36049 33023 31499 29534 27056 53261 53039 97.9729 *98.009* 98.009@1.2651434 1801 1714 1 1 1 1 2631 2212 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1 1 1867 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.009 *98.0358* 98.0358@2.8867404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0358 *98.0501* 98.0501@0.7990633 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0501 *98.0586* 98.0586@3.466791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9234 9658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0586 *99.9592* 99.9592@0.9924372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3411 3339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.9592 *99.963* 99.963@0.9905633 1 1 1 1 1 1 3851 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.963 *99.9663* 99.9663@0.8011672 1872 1776 2048 2086 1 1 4389 4330 1 2329 2084 2005 1341 1 2006 2133 1571 1542 1534 1 1557 1765 1633 1821 1775 1653 1468 1567 1677 1956 1 1565 1626 1 1951 1737 1 1 1 1 1 1 1 1546 1 1 1545 1 1400 1723 1631 1 1241 1 1 1 2607 2500 1 1 1841 1584 1 1 1 1769 1 1671 1 1 1 1 1 1 1 1 1602 1460 3016 1 1 1384 1 1925 2444 1 2185 1 1 1 99.9663 *100.0156* 100.0156@1.9442756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5369 5206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4880 4640 1 1 1 1 1 1 5854 5655 1 1 1 1 4553 1 1 1 1 1 100.0156 *100.0158* 100.0158@0.91848165 1 1 1 1 1 1 1 1 3200 3438 1566 5633 1 1 1 1 1 3526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3329 5348 5394 1 1 4523 4175 1 1 1 2999 1 4147 1 4962 1 1 1 1 9301 9345 1 1 1 1 6462 6317 1 1 7238 1 1 1 3782 4721 1 1 4727 4087 1 1 1 1 1 1 5230 5253 1 1 1 1 1 1 100.0158 *100.016* Succinic anhydride 1 1 2861 2899 2585 3087 1 2571 4324 3972 4421 4560 2853 3067 1 1 2856 2985 4952 4942 5425 5474 3363 3442 1 1 2961 1 3180 2186 1 1 1 1 1 1 2797 2730 4211 4646 1 1 1359 1760 3167 3068 2757 2754 4755 2924 3348 3482 3350 3269 2985 2686 5771 5730 2121 2979 1 2233 4963 5402 3333 1805 1818 2104 1 1 3277 3126 2073 3022 2989 3964 1 1 1 1 1771 1 2803 2343 3957 4146 3690 3328 1 1 100.016 *100.0161* 100.0161@1.0128999 1 1 5670 5633 1 1 1 1 5021 6085 3122 1 1 1 1 1 1 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5309 5109 1 3000 1 1 1 1 4175 5865 1 1 4135 14166 1 1 1 1 10138 1 1 2698 1 2776 6008 4814 1 3834 1 6309 1 1 4818 1 1 1 5541 5577 1 1 1 1 3381 1 1 1 1 1 1 1 1 1 100.0161 *100.0517* 100.0517@3.7863922 1 1 1 1 1 1 2211 2714 1 1 4055 4113 1 1 1 1 1 1 3414 3024 2155 2462 1 1 1 1 1 1 1 1 3841 3187 1820 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2577 2781 4125 3895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2023 1 1 1 1 2114 1 1 1 1 2103 5181 5122 1 1 100.0517 *101.0475* 101.0475@0.9274555 1 7413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7742 1 1 1 1 1 1 1 1 1 1 1 1 3661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6714 1 101.0475 *102.0295* C4 H6 O3 66931 16130 42983 20190 15996 15717 1 17767 1 1 21348 34638 17440 16459 18576 17856 11387 22757 1 19410 31666 57705 22373 19512 15960 25294 21859 1 32973 23255 1 1 1 19598 1 20514 24807 21394 1 14791 16118 16387 28679 1 17870 15862 16521 13609 17027 15731 1 16383 1 7696 19224 19390 1 5058 15695 10377 25662 11766 1 1 1 1 1 1 6613 6150 19492 20661 17154 17725 21160 18985 37280 80194 9244 1 10558 20758 12414 23312 15969 7401 16241 16646 1 1 102.0295 *102.0306* 102.0306@1.7178838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 2993 102.0306 *102.0308* 102.0308@1.2107728 1 1 2961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16071 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0308 *102.0311* 102.0311@0.9010069 1 1 1 15747 40207 38041 1 52055 1 53866 5585 1 41558 1 33036 34799 1 45800 35215 38086 1 1 46356 46987 1 47793 36558 1 1 10857 1 1 1 1 1 1 45856 1 1 1 40362 42328 95329 1 44713 1 48031 51285 51149 51979 1 63279 1 1 45957 1 1 1 1 44861 62183 25798 83000 75286 1 87892 50638 89818 1 52221 48980 51024 1 47495 50551 49545 1 1 48358 58542 1 1 61773 49511 43629 1 1 1 101343 102150 102.0311 *102.0312* Acetoacetic acid 7819 1 9832 9767 14323 13691 6736 10110 9045 9069 4113 9988 10456 11099 15210 16525 11297 10418 3311 3058 1 9337 10031 12352 1 13305 13095 16140 1 8977 1812 13932 12649 13160 12308 13495 2297 19627 3271 18615 21336 23023 8367 21242 4520 2550 27841 26193 2812 14432 21025 23547 10573 10444 18840 4160 3577 12728 11598 14577 3756 3369 23087 21928 4055 17880 2898 3369 2316 12592 26559 23448 28840 28620 3839 12675 6148 4783 2095 2622 5177 28733 1617 27717 8698 9040 8888 11335 12706 13266 HMDB00060 C00164 102.0312 *102.0313* 102.0313@1.0678915 1 10955 1499 1 1 1 2994 1 1 1 6421 1 1 1 1 1 1 1 11143 10535 8171 1 1588 1 12364 1 1 1 10362 3840 12835 1743 1 1 1 1 19208 1 19583 1 1 1 9479 1 20257 18072 1 1 12572 1 1 1 1 1 1 21920 12378 1 13029 1 11026 5774 1 1 15823 1 12849 14929 10826 1 1 1 1 1 12549 1 19001 20260 30864 26511 24874 1 29812 1 1 1 1 1 1 1 102.0313 *102.0315* 102.0315@1.7733774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3527 3627 102.0315 *102.0315* 102.0315@2.8677373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10805 102.0315 *102.0317* 102.0317@0.8930517 1 24219 1 1 1 1 60464 1 45995 1 1 1 1 1 1 1 1 1 19373 1 1 1 1 1 22968 1 1 31438 1 11097 40360 38840 52602 21827 52461 30110 1 48331 25429 18680 1 1 1 119560 1 38042 1 1 1 1 73385 1 32845 27547 1 37678 55992 48856 41009 1 1 1 1 1 84741 1 1 1 49205 1 1 1 39793 1 1 1 1 1 1 1 1 18365 1 1 1 26713 19855 19564 1 1 102.0317 *102.067* Isovaleric acid 3164 3008 1 1 2562 2614 1 1 1 1 3206 2710 3365 2976 1 1996 2069 2004 5952 5409 4636 4400 3658 3179 3583 3641 2918 3264 3248 3857 3209 3703 1 2658 1 1 4305 3725 3257 3270 1 1 4413 4246 2615 2254 4059 3380 2562 2336 2932 3539 2814 3129 4183 3409 3483 4095 4709 4411 3569 4324 2795 3216 2565 2440 4219 4186 4126 4614 3411 3333 3504 3277 5308 4822 5110 4891 6064 5560 3910 3802 5383 5542 2615 3269 1 1 4642 4480 HMDB00718 C08262 102.067 *102.0738* 102.0738@0.86125875 3316 2689 4321 3830 4144 3955 3336 3609 3832 4324 3319 3739 3501 3594 3271 2588 1 3498 2632 3960 3581 2578 3878 3907 1 1 1 3437 4209 3864 3702 4518 4238 4750 3269 3861 1 3074 3739 3390 3646 4421 1 1 2652 3235 3922 4415 4421 4014 2887 1 1 3219 3618 4351 3085 4338 3867 3774 1 2617 2691 1 2458 1 2716 2055 3532 3215 3395 4462 3456 3638 3763 2868 1 1 3339 4139 3322 3757 1 1 4753 4102 3422 3640 1872 3696 102.0738 *102.076* 102.076@0.8569903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.076 *103.0617* 103.0617@0.907718 6301 6043 2786 1 6557 7431 6566 6415 1 1 3810 7104 6593 6254 7876 7647 5227 4906 7142 7571 1953 6568 5159 5500 7916 7972 7469 7433 5900 1 1 1 7250 7032 6311 5979 7700 7359 6673 2769 5870 5693 11634 11269 9316 9876 6126 6241 5664 4648 10432 7531 5850 5988 1 5271 7511 7939 6926 7631 3329 2764 1 5053 7856 7825 7349 7269 6592 6005 10106 10175 7918 8042 6639 7579 6671 4193 9000 9514 3666 5532 7547 7594 7159 6560 7010 7156 7440 7546 103.0617 *103.0627* 103.0627@0.90363187 1 1 1 1 1 1 1 1 1 1 3706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 1 1 4737 2101 1 1 1 1 1 1 1 1 103.0627 *103.9549* 103.9549@3.020838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 4664 1 1 1 1 1 1 1 1 5611 1 5449 1 5190 5443 1 1 1 1 1 5215 1 1 1 5627 1 4939 1 1 1 5368 5539 1 1 5857 6025 5745 1 5815 1 5126 1 1 1 4329 1 5817 1 5830 1 1 5698 5467 1 5762 1 4755 1 5756 1 5527 4522 1 1 103.9549 *103.9559* 103.9559@3.042927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9559 *103.9635* 103.9635@0.85410404 271185 205490 1 210995 157580 265062 234314 138794 185441 177556 186666 272892 209472 279724 177418 201208 146309 174337 1747 249835 208526 216006 186743 217175 197019 296985 206128 291977 145676 204059 258535 213503 258472 195430 132757 258593 188639 225122 201866 214005 217633 193250 203374 234428 1 197366 223770 3439 192579 217251 218427 295907 1 205670 302351 237563 1 214260 217119 210296 190863 203926 200081 211065 201099 221858 202791 268162 210613 266296 230466 195769 232268 190395 200652 230047 225004 317598 208691 218678 316323 194803 223245 227755 190219 242102 210262 205477 247580 189198 103.9635 *103.9637* 103.9637@0.92359036 1 1 1 1 1 1 1 1 4365 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6089 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5719 1 1 1 1 1 1 1 1 103.9637 *103.9641* C3 H Cl O2 1 1 277762 65130 71245 1 1 68035 77754 65341 54730 1 1 1 104033 81078 71800 88038 283874 41618 75960 68170 101414 70027 76491 1 83284 1 72111 66845 1 72243 1 76738 107045 1 108273 69600 82546 67569 75513 104437 69638 63779 298790 94848 66930 289770 82361 77862 70782 1 294600 92294 1 74189 287884 74316 74924 86725 75066 63299 84575 73082 82179 68804 84303 1 95199 40167 72713 82612 75130 86723 83092 77797 91536 1 65649 86642 1 86487 78847 57129 88183 61229 65751 66354 1 82448 103.9641 *103.9778* 103.9778@0.7757287 1 1 1881 2024 1 1 1870 1819 1695 1899 1927 1 1 1984 1792 1 1 1 1670 1 1 1 1 1844 1 1654 1 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 1 1592 1 1542 1 1 1 1 1 1 1 1 1 1 1881 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9778 *104.0435* 104.0435@0.8670023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0435 *104.0467* a-hydroxybutyrate 28215 26818 9678 10296 26855 26531 36490 37790 11600 10806 25438 29434 23770 24492 13012 11384 11164 10852 20720 20374 66448 66186 13091 14919 21377 6226 22183 20876 62702 61589 65573 63070 45814 42362 7621 8866 42396 42922 185676 183427 13750 12463 20130 21138 101485 100773 46576 47309 8875 10431 38757 41734 16195 16780 16543 15510 65865 67058 54262 58818 11183 10980 19054 19302 24447 22851 20826 21312 14470 14092 15036 13515 24931 22453 73005 71392 36298 36384 96791 98949 29873 29130 27793 28940 24549 25803 18292 19143 360714 365105 104.0467 *104.0467* a-hydroxybutyrate - 2.5272808 1 11345 9598 8007 1 11502 1 1 8479 1 3720 7634 6469 1 7062 5621 9365 1 1 11198 9002 1 1 6687 9156 15278 10242 1 7937 5226 1 1 8772 8235 5409 7374 6652 6354 1 1 1 6393 8982 1 12305 1 7347 8519 11458 11154 1 14899 9717 8903 8094 8310 16535 5559 9156 1 1 1 12432 1 1 1 1 11248 1 8348 4981 3257 9691 1 1 1 1 1 1 1 169948 1 1 1 1 1 9891 1 7229 12423 104.0467 *104.0467* 104.0467@2.5502126 9300 1 1 1 1 1 25290 21062 1 1 3578 1 1 1 1 1 1 8914 1 1 1 11215 1 1 1 1 1 10704 1 2729 10806 1 1 1 1 1 1 1 1 15144 7793 1 1 1 1 1 1 1 1 1 13944 113582 1 1 1 1 1 1 1 1 10792 9298 1 11590 12163 15504 1 1 7750 1 3026 1 1 8902 8337 9158 10022 9286 21515 19427 14548 1 19714 21479 14808 14478 1 11111 1 1 104.0467 *104.0468* a-hydroxybutyrate - 2.6625693 52653 52119 46111 49229 79629 83121 50315 52186 34813 31741 103833 107137 49189 47942 47098 45634 58156 60838 90689 90389 133751 140883 54707 50376 117526 118037 94255 94728 67095 68007 76787 80769 38275 40989 43068 43556 77489 82027 153675 144056 35375 34298 125393 124989 126932 125044 118642 118969 76996 73146 113782 3687 74913 75131 80085 80683 100261 101319 147230 145717 93183 89295 101852 99223 85938 83179 102925 105403 75671 78074 61168 63239 119287 116221 80131 81147 161563 161199 175748 181508 5213 173015 149905 145372 90957 88836 58946 61882 138767 144714 104.0468 *104.0494* 104.0494@0.84362155 3774 3062 4029 4080 3895 1 1 3120 1 1 2239 3715 1 4144 3168 2227 1 1 3859 4369 3826 1 2419 4041 1 4157 1 1 2550 1 1 1 4021 2362 1 1 3825 2171 1 2817 1265 3606 2860 1 1 1 1 1 2682 3580 1 1494 1 3117 2273 4026 1 1 1 3351 1619 1 1 1 3365 3896 1 1 4499 4123 4445 4321 3609 3949 3292 3475 3499 2590 1885 1 3455 1424 1865 2177 1679 1462 3208 1 1 3452 104.0494 *104.0495* 104.0495@0.8513632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2201 1 1 1657 1993 1 1 1 1 104.0495 *104.0547* 104.0547@3.1726727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3397 3562 104.0547 *104.059* 2,3-Diaminopropionic acid 3466 3918 3485 3851 3826 3240 2108 2152 3903 3194 3557 3564 2871 2961 4363 4126 3320 2745 3540 3437 3377 3414 2651 2731 3043 3393 3577 4219 4149 3640 3755 3822 2947 3190 3407 3355 3315 4001 3949 3588 3901 2767 4335 4127 4013 3846 3117 2829 4083 4316 3213 2923 3605 3102 3999 4083 4579 4564 4481 4868 5324 6449 1 2741 3925 3519 4161 3060 4303 3943 4128 4129 3664 3202 1 3795 3991 4224 3741 4151 4482 4281 6143 5405 3749 3532 4904 4467 1 1 HMDB02006 C03401 104.059 *104.1329* 104.1329@2.2718136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5695 5518 104.1329 *104.9832* 104.9832@3.6476839 4564 4518 2520 4070 4691 5160 4518 4555 2557 1839 1889 2753 1714 3882 1 2226 1 3299 1 1 1 1 1 1164 1 1 1 1 1 1 1 1499 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9832 *104.9833* 104.9833@2.2706335 1 1 6666 1 1 1 1 1 1 6146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9833 *104.9834* 104.9834@3.167014 3820 3330 2631 2858 4809 1570 1 1 1 1 1258 3892 1 1 1983 1429 2938 1 1 1 1 1 1 1 1 1 1 1 3428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9834 *104.9837* 104.9837@4.8720746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 4619 1 1 1 4012 1 1 18780 1 1 1 5204 1 3929 1 1 14966 16293 5030 1 1 1 1 1 1 4687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13815 1 1 1 1 1 1 104.9837 *104.9838* 104.9838@3.6391652 1 1 1 1 1 1 1 1 2058 2584 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.9838 *105.0319* 105.0319@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0319 *105.0404* 105.0404@0.859588 6741 8224 1 1 1 1 1 1 1 1 8408 1 1 1 1 1 1 11747 1 1 1 1 1 1 16312 15466 1 1 1 13691 1 1 8057 1 1 1 16977 18685 1 1 1 1 13539 15571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12955 17271 1 1 1 1 14396 14256 1 1 1 1 1 1 1 1 10461 11297 1 1 1 1 1 7637 1 1 1 1 1 16450 105.0404 *105.0412* C3 H7 N O3 1 1 9652 6621 13336 14288 10751 10660 14441 1 1 13832 13533 12791 15681 1 12942 1 1 12000 13781 12797 10910 12909 1 1 11823 8495 21660 1312 22017 24841 1 12483 10028 9974 1 1 10478 6803 14789 1 1 1 11605 10764 13262 11958 15324 14925 13261 14413 1 14078 13344 13529 1 14628 18674 20359 1 1 11408 11251 14960 15287 1 1 1 15675 1 20233 14123 13574 14999 16026 1 1 11958 11716 14299 14401 13037 1 12600 12754 12298 1 17071 1 105.0412 *105.0416* 105.0416@0.8440554 1 1 1 1 1 1 1 1 1 14174 5738 1 1 1 1 16052 1 1 12383 1 1 1 1 1 1 1 1 4920 1 5332 1 1 3540 1 1 1 1 1 1 1 1 15575 1 1 1 1 1 1 1 1 1 1 16358 1 1 1 13823 1 1 1 1 1 1 1 1 1 1 1 15399 1 19684 1 1 1 1 1 5778 6538 1 1 1 1 1 4358 1 1 1 12015 1 1 105.0416 *105.96* 105.96@0.8545209 1 1 1 1 1 1 1 1 1 1 1 1 45212 1 1 1 46357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.96 *105.9613* 105.9613@0.8261623 1 68420 1 1 38523 1 1 67054 1 21994 26490 1 24289 1 1 1 24893 30446 1 1 1 1 1 1 25591 1 1 1 71820 16019 27157 1 32943 27179 42731 24588 1 1 1 1 1 1 22648 1 1 1 1 1 29100 1 1 1 1 1 1 1 1 1 1 1 24948 30164 1 1 11894 1 29696 1 1 1 1 27538 1 30530 22139 1 1 1 29895 1 1 30051 1 21003 29674 1 24074 23840 21411 29389 105.9613 *106.0263* Glyceric acid 12167 13123 14480 14534 16800 17080 15346 6002 13018 13094 47066 50954 15534 15554 9450 12791 16824 17382 32128 31924 20327 22501 17113 17945 15218 15277 18961 18686 21147 20029 28492 15330 22441 22505 24383 24994 17960 10371 18259 7372 15662 15477 19378 20060 25069 26172 14668 14354 20567 18646 19660 19273 16496 17453 19914 19784 30364 31409 19540 20363 17790 17025 24137 24506 23987 23149 25124 25172 11229 17050 21731 20734 18232 16883 17622 18238 23257 23281 19643 19013 34443 37230 19761 19228 15132 31321 33670 33277 21974 21359 HMDB00139 C00258 106.0263 *106.0263* 106.0263@0.9699853 1 1 1 1 1 1 1 11040 1 1 1 1 1 1 3591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13463 1 1 1 1 1 5963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16607 1 1 1 1 1 106.0263 *106.0281* 106.0281@13.475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0281 *107.0457* 107.0457@13.486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0457 *107.0461* 107.0461@13.598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0461 *107.0464* 107.0464@14.904049 1 1 1 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0464 *107.0469* 107.0469@14.7935095 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0469 *107.047* 107.047@14.821394 1 1 1 1 1 1 1 1 1 1 2830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.047 *107.0476* 107.0476@13.542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0476 *107.0476* 107.0476@14.734751 1 1 1 1 1 1 1 1 1 1 29596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0476 *107.0486* 107.0486@4.801194 1 1 1 1 2376 1 5597 5366 2783 2813 3102 1 2636 1 1 1 1 1 3433 3636 1 1 1 1 3321 3364 2669 1 1 1 1 1 3284 3229 2827 1 1 1 1 1 1 1 1 1 3573 4023 1 1 1 2262 4333 4742 1 1 1 1 3819 3590 1 1 1 1 1 1 1 1 3301 3468 1 1 1 1 1 1 1 1 3393 3418 3353 3352 1 1 1 1 3991 4045 5247 5154 1 1 107.0486 *107.0491* 107.0491@8.287883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12104 12087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0491 *108.0314* 108.0314@14.424679 1 1 1 1 1 1 1 1 1 1 4241 1 1 1 1 1808 1 1 1 1 1 1 1 1 1 1 2431 1 1 1 1 1 1 1 3181 1 2426 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5282 1 1 1 4773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0314 *108.0315* 108.0315@13.473947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4961 1 1 6317 1 1 1 1 1 1 1 4562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0315 *108.0317* 108.0317@14.340351 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 4212 1 1 1 1 1 1 1 3130 1 1 1 1 1 1 1 1 1 1 1839 1 2674 1 1 4113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5243 1 1 1 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0317 *108.0318* 108.0318@14.13479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0318 *108.0437* 108.0437@3.1493683 1 1 1 1 1 1 10086 11602 1 1 1 1 1 3382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3803 2937 1 1 1 1 1 1 1 1 1 1 4527 4888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6526 5955 108.0437 *108.0563* 108.0563@4.890732 1 1 1 1 4196 4586 1 1 1 3507 1973 1 1 1 1 1 1 1 1 1 4715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 4140 1 1 1 1 1 1 1 1 1 108.0563 *108.0569* 108.0569@8.286884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132031 132635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0569 *108.057* Benzyl alcohol 150465 151625 92026 91611 178223 175609 365259 363719 183954 181903 207920 199097 149189 145965 148179 145684 153789 152908 222515 220925 154004 159883 139864 136658 213499 211036 143267 144328 150916 147795 142366 139219 201714 202950 155410 163160 121634 125346 123646 130404 87315 85932 131020 131211 224400 220045 15287 14197 133298 136659 252223 270299 60654 59760 133537 135649 215266 225288 74479 77736 11095 11137 68426 70664 149100 144847 193664 190794 115320 115830 151886 149063 116597 115522 96332 92031 184597 179701 185653 188101 122325 127291 85484 85705 221855 223486 291592 284837 55565 57870 108.057 *108.1442* 108.1442@4.7970147 1 1 1 1 1 1 6054 5988 2507 1 2742 2912 1 1 1 1 1 1 3297 3412 1 1 1 1 2910 3331 1 1 1 1 1 1 3139 3072 1 1 1 1 1 1 1 1 1 1 3182 3171 1 1 1 1 3960 2647 1 1 1 1 3218 3285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 3052 4155 3534 1 1 108.1442 *109.0007* 109.0007@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0007 *109.0284* 109.0284@4.954444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3192 3734 2376 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0284 *109.0287* 109.0287@4.1726093 1 1 1 1 1 1 5468 5482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2599 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3203 3522 1 1 1 1 109.0287 *109.0289* 109.0289@3.5439553 1 1 1 1 1 1 2160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0289 *109.0516* 109.0516@1.6103922 1 1 1 1 1 1 1 1 6447 6153 1 1 1 1 1 1 1 1 3710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6294 6274 1 1 1 1 1 1 4478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0516 *109.0521* 109.0521@2.8299644 1 1 1 1 1 1 3076 3329 1 1 3379 3601 1 2084 1 1 1 1 2318 1861 2836 2916 2816 3312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2037 1778 1 1 1 1 5197 5392 1 1 1 1 1 1 1791 1 1 1 2812 2961 1 1 1 1 8450 8457 1 1 16479 15500 1 1 2664 2490 2556 2680 1 1 23384 23643 109.0521 *109.0523* 109.0523@1.924746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0523 *109.0595* 109.0595@4.781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0595 *109.0632* 109.0632@0.845189 1 4691 20122 1 1 1 1 1 4251 4209 4041 1 1 1 1 7349 1 1 1 7746 19573 1 1 1 1 8487 1 1 1 1 1 1 1 1 10575 10544 1 1 8316 7921 1 1 1 9343 18610 18306 5547 1 11956 1 1 11438 1 1 1 1 1 40260 10426 11465 1 24435 13249 1 14665 14344 5347 1 1 1 4963 4906 1 1 1 4262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0632 *109.9076* 109.9076@0.8507333 42289 41551 49901 51447 49989 49086 51665 51482 8492 50480 41171 43067 9148 51505 9213 51630 9429 53979 8700 52502 8091 8290 9560 8993 9513 8500 49722 50629 9692 49205 11337 48814 49166 51107 48958 48265 49793 51330 49457 10166 52248 10315 10055 9752 9838 9857 52845 51026 9204 8849 8878 9036 55717 56487 54084 56627 52282 11691 51597 52499 13005 49854 12040 48954 11005 10808 54415 9790 56236 58250 49626 48871 10402 53856 55468 10685 54740 10436 53376 12064 9649 10448 54976 10915 10141 10790 54933 11375 10710 56253 109.9076 *110.0359* 110.0359@4.444111 1 1 1 1 1 1 1 1 1 1 3502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7168 1 1 1 1 1 1 1 1 1 1 1 110.0359 *110.0361* Pyrocatechol 15434 17289 16495 16099 33264 33371 78747 74783 38857 38862 35844 34823 38226 37512 14172 13579 19477 19784 37240 35415 10868 10566 37911 36817 11289 11104 8743 8716 24928 24778 12737 12668 27689 27183 23245 23301 15062 15413 1 1 50493 57590 6927 7191 22145 21621 25895 24303 29626 30417 11907 12059 9272 8300 11776 11890 20931 20681 19587 16811 22013 24366 9205 8869 39138 33124 38182 42809 12026 14583 33025 26717 24731 24891 23521 23337 17375 18207 28636 29529 36277 35494 8836 8220 71819 73547 29656 26295 9065 7608 HMDB00957 C00090 110.0361 *110.0361* Pyrocatechol - 4.419533 3767 4374 3588 3674 6379 6542 30440 30566 3004 2946 2446 6050 4810 5517 7255 6997 1 1 5757 5127 5512 5745 8529 8131 1 1 6735 7193 3308 1 5151 5891 9564 9358 20639 20323 3844 4445 5177 4989 10715 9654 1 1 25469 26987 15838 16067 11167 12086 10154 10052 5932 5684 4517 4423 5066 4499 4476 4776 3586 4140 3571 1 19971 19571 5459 5373 1 3261 15461 14016 1 1 6803 6180 1 1 17509 25614 8673 8361 15824 15825 15498 15012 8954 9895 6028 5828 HMDB00957 C00090 110.0361 *110.0365* 110.0365@3.6386464 1 1 1 1 1 1 1 5691 4534 4098 2398 2878 1 1 1 1 1 1 1 2899 1 1 3678 3256 1 1 1 1 1 1 1 1 1 1 6153 5678 1 1 1 1 6538 1 1 1 1 1 1 5112 4363 3631 1 1 1 1 1 1 1 1 1 2210 3796 1 1 1 1 1 1 1 2178 1 1 5359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0365 *110.047* 110.047@13.562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.047 *110.0471* 110.0471@14.773591 1 1 1 1 1 1 1 1 1 1 7128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0471 *110.0472* 110.0472@0.9115343 1 1 1 1 1 1 1 5707 1 1640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0472 *110.0476* 110.0476@13.584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0476 *110.0482* 110.0482@13.536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0482 *110.0717* 110.0717@4.997787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3039 3445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0717 *110.0719* 110.0719@3.2406898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 110.0719 *110.072* 110.072@4.0055194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4542 4482 110.072 *110.0816* 110.0816@3.1662424 2509 2525 2639 2808 2531 2551 1 1 2369 2765 2632 2385 2402 2670 2676 2790 2641 2911 2560 2164 2293 2535 2146 2311 2859 2317 2750 2640 2753 2148 2556 2961 2823 2573 3246 2557 2488 2483 2483 2513 2798 2463 3063 2729 2783 2766 2177 2125 2378 2700 2543 2463 2491 2863 2796 2729 2900 2939 2256 2465 3202 2773 2627 2862 3014 2760 2772 2858 2518 2998 2832 2931 3355 3463 2864 3552 3236 3286 3035 2933 2991 2977 3229 3171 2852 2739 3150 3166 2477 2746 110.0816 *111.0791* Histamine 4198 4082 4221 4520 5228 5044 5016 5061 5836 5757 4602 4112 5009 5134 5669 5916 5165 5174 4428 4302 3667 3535 4176 4346 4304 4280 4182 4096 4909 5164 4320 3855 4914 4911 4981 4205 4860 4720 4798 4992 5100 4859 5042 5526 5246 4846 4856 4939 5256 5592 4238 4331 4738 4742 5752 5424 5536 5654 5125 5535 5759 5424 3250 3349 6713 7192 4354 4016 5347 5559 3924 4725 4817 4342 4398 4512 4546 4438 4250 4726 4625 4504 4302 4026 4503 4496 5111 5322 3869 4178 HMDB00870 C00388 111.0791 *111.9061* 111.9061@0.8517828 7249 7506 6579 6326 7110 8006 6717 6509 7116 7308 6379 9237 8515 7539 8180 7312 7701 7531 6839 6800 6375 6686 8314 7347 7546 7883 7403 7665 7822 7743 8699 8479 8414 7742 8974 8567 7866 7763 8604 8564 7999 7920 1 1 8291 7836 7849 8224 7163 7449 8002 7656 8220 7771 7810 7779 8261 8220 8243 8501 1 10096 9577 9568 8978 8473 7653 8104 7523 7937 8020 8109 8319 8546 8813 8764 7911 8213 9527 8819 8209 8353 8706 8532 8164 8938 9276 9434 8048 7787 111.9061 *111.9073* 111.9073@0.8280448 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.9073 *111.9841* C3 H6 Cl2 10140 9261 7950 8273 9104 8969 12536 11920 9554 9389 8810 8632 9910 10042 9490 9657 10535 10790 8955 9201 8882 8703 8833 9219 9511 9148 9625 10076 9091 8223 5728 6666 5668 5149 5417 5328 6941 7138 5964 5761 4603 5030 9129 9194 6691 6273 6101 5765 5740 5977 6886 7495 6809 5586 6118 7250 6233 5220 4698 6363 7244 7390 6691 7383 7146 8218 8332 9254 5414 5642 5826 5905 6295 5954 6736 7022 7143 7184 6450 6004 5787 5589 6407 5757 6355 6710 5073 5444 7600 8312 111.9841 *112.0153* 112.0153@2.8715703 1 1 1 1 1 1 5014 5219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3247 3207 112.0153 *112.0153* 112.0153@1.4282753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4031 1 1 1 1 1 1 1 1 1 1 1 1 4136 1 1 1 1 1 1 4273 2383 1 1 3119 1 1 1 1 1 1 1 2873 1 1 1 5266 1 1 2432 1 1 1 1 1 1 1 1 1 1 4595 1 1 1 1 1 1 1 1 1 1 6823 1 1 1 1 1 1 1 6683 1 1 1 1 1 112.0153 *112.0154* 112.0154@1.3990369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2643 1 1 1 1 1 1 1 1 1 1 3884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0154 *112.0154* 112.0154@1.177941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0154 *112.0157* 2-Furoic acid - 1.2499225 101966 102329 92553 90986 113264 120249 101645 101718 113245 112325 113532 113702 86934 94048 117850 115512 93280 97776 120713 117149 107405 105612 104821 99373 99713 104075 81718 79933 104716 104864 134616 141584 137401 138093 105303 106198 134052 131798 118637 121726 102378 97788 99506 102094 111243 115135 99984 104054 140754 148816 145859 151833 103955 106341 110029 112609 117925 120807 104350 106126 132537 137091 107111 105321 99140 91786 96458 91935 94541 96986 110467 118522 127774 125054 130246 127708 148534 145844 129859 132086 145186 141069 134552 135191 120609 128447 121980 123993 125426 138098 HMDB00617 C01546 112.0157 *112.0158* 2-Furoic acid 19521 19996 16400 17931 18636 20492 20789 21487 16761 14909 15591 16109 15145 15407 19599 18931 11445 16359 21794 21267 16447 14991 15722 16403 19928 18243 16038 16798 16909 15886 19353 20057 22903 21252 18545 17348 19933 19725 22123 24920 19210 19886 19223 18044 18498 17012 18906 20450 18269 20830 19564 23322 17042 16192 16154 16969 16975 19075 18130 15727 22802 16606 18866 16038 16221 18044 17147 11012 15809 15983 15630 12588 19239 20724 20409 19395 20474 21599 15020 19756 21137 19767 15261 15482 17477 18304 20289 16369 21153 23099 HMDB00617 C01546 112.0158 *112.016* 112.016@14.691925 1 1 1 1 1 1 1 1 1 1 17722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.016 *112.0162* 112.0162@1.0832598 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1870 6065 4645 1 1 1 1 1 1 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2836 1 1 1 1 1 1 1 1 1 1 1 4456 1 5767 1 4791 1 1 1 3286 1 1 4771 8844 1 1 1 1 1 1 4642 1 1 1 1 1 1 1 1 5048 1 1 112.0162 *112.0165* 112.0165@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0165 *113.0207* 113.0207@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0207 *113.0546* 113.0546@1.0370047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0546 *113.0577* 113.0577@0.9698972 114914 112205 97026 60320 33280 32178 183970 188379 51184 51548 103422 69577 38594 37912 52876 52761 45341 43837 66126 62527 50832 51227 45427 44916 41621 44257 59223 97843 53760 54356 47884 46504 62049 63815 50932 51404 60205 61358 45718 81769 56128 114180 47439 49655 60136 101935 96481 96170 52651 51623 68914 69443 54082 55174 104195 56227 116913 117405 56306 54592 53088 53699 88881 87119 44908 46063 42933 44888 48631 49426 40155 40626 50808 89699 38028 38994 50666 50747 145237 89658 131585 126876 112877 110658 129044 133007 153854 152198 61739 62848 113.0577 *113.9044* 113.9044@0.852933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9044 *113.9438* 113.9438@1.1856929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 3261 1 1 1 1 4379 6578 1 1 1 1 1 1 1 1 1 1 5418 6047 1 1 1 1 4767 6051 2646 4942 1 1 113.9438 *113.9443* 113.9443@0.95940965 1 2179 1 1 4623 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 1 1 1 1 1 1 1 1 1 1 4742 1 5075 1 4964 1 1 1 5422 6925 1 1 1 1 1 1 1 1 5526 5366 1 1 1 1 4389 6590 5224 6976 1 1 5860 7581 1 6171 1 1 1 1 1 1 1 4379 5034 4726 1 1 1 1 3310 2071 1 1 4997 4688 113.9443 *113.9919* 113.9919@5.9870663 1 1 1 1 1 1 20341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9919 *113.992* 113.992@14.808448 1 1 1 1 1 1 1 1 1 1 17829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.992 *113.992* 113.992@5.2121015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.992 *113.9921* 113.9921@0.625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9921 *113.9921* 113.9921@0.65593135 1 1 1 167812 1 1 1 157315 1 88340 1 1 1 1 1 1 86190 1 1 1 1 1 1 1 1 1 1 107055 1 14303 1 1 1 1 53830 1 1 1 1 1 1 1 39620 1 1 1 1 1 1 1 1 1 1 35860 1 1 1 42065 1 1 1 1 1 1 1 1 1 1 1 57279 1 1 1 1 1 1 30148 1 1 1 1 1 1 1 1 28279 1 1 1 21799 113.9921 *113.9921* 113.9921@10.115111 1 1 1 1 1 1 45908 1 1 1 1 1 1 1 1 39250 1 1 1 1 1 1 1 1 1 1 33784 1 1 1 1 1 1 1 1 1 30432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9921 *113.9921* 113.9921@10.670105 1 1 1 1 1 1 26383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6443 1 1 1 1 1 1 1 12295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9921 *113.9921* 113.9921@14.658031 1 1 1 1 1 1 1 1 1 1 26120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9921 *113.9922* 113.9922@0.6835721 1 1 1 1 1 1 110723 1 151497 1 1 1 1 1 128153 129649 1 101549 1 1 1 97107 1 1 1 104104 89991 1 1 19782 1 1 86215 1 1 79218 60428 1 1 1 1 1 1 1 1 1 1 1 1 55678 66517 34447 1 1 1 1 1 1 43194 1 1 49707 50607 1 1 1 1 1 1 1 1 40868 46505 1 1 1 1 40244 1 1 1 1 1 1 1 1 1 1 1 1 113.9922 *113.9922* 113.9922@0.7191889 1 1 1 1 25390 1 1 1 1 31034 53931 1 1 1 1 1 20202 1 57060 27506 1 1 1 1 1 1 1 1 1 26817 27676 1 1 1 24515 1 1 1 1 1 1 25442 22627 1 1 1 1 1 1 1 1 1 26618 15800 36049 1 1 14556 1 1 20802 1 1 16623 1 13985 1 12514 1 1 1 1 1 1 1 1 1 1 24432 1 1 17869 1 21684 1 16351 1 1 11792 19261 113.9922 *113.9922* 113.9922@3.676706 1 1 1 1 1 1 45545 1 1 1 1 1 1 1 1 23887 1 1 1 1 1 1 1 22098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9922 *113.9922* 113.9922@4.974861 1 1 1 1 1 1 37723 1 1 1 1 1 1 1 1 8841 1 1 1 1 1 1 1 32889 1 1 1 1 1 1 1 1 1 1 43232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25507 1 1 1 16030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31239 1 1 113.9922 *113.9922* 113.9922@3.1710293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38681 1 1 1 1 1 1 1 1 1 1 12425 1 1 1 1 1 1 1 26227 1 27086 1 1 1 1 1 1 1 1 1 1 25303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9922 *113.9922* 113.9922@1.9358876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9922 *113.9923* 113.9923@0.91793257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9923 *113.9923* 113.9923@1.4490902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9923 *113.9924* 113.9924@0.8634939 127316 119659 116086 114246 95171 94708 100485 94600 86535 91695 99699 126742 121435 123318 127015 102128 123397 117987 1 116057 112863 123173 129020 121817 118989 137985 124204 117704 128562 131413 117636 115774 136860 132605 114414 114876 131873 126591 122614 131155 129403 134631 125730 127556 110823 122164 119732 110832 127269 127688 112260 120109 1 112338 140295 130406 100288 108703 121250 132048 137726 131365 109349 118166 122062 91292 149406 141961 122579 113514 132053 143146 141372 141730 117484 139269 151715 146141 125770 131725 131854 140082 131694 151398 137278 130568 136134 128162 126772 1 113.9924 *113.9924* 113.9924@3.8917723 1 1 1 1 1 1 23974 1 1 1 1 1 1 1 1 28912 1 1 1 1 1 1 1 1 1 1 17406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9924 *113.9924* 113.9924@1.0765288 1 1 1 1 1 1 1 1 1 1 29492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9924 *113.9925* 113.9925@4.094269 1 1 1 1 1 1 17109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9925 *113.9925* 113.9925@4.161472 1 1 1 1 1 1 21921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9925 *113.9926* 113.9926@2.7996042 1 1 1 1 1 1 33556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9926 *113.9926* 113.9926@4.3302455 1 1 1 1 1 1 44844 1 1 1 1 1 1 1 1 17802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9926 *113.9927* 113.9927@1.1979792 109180 103107 109866 104191 124773 119788 98082 130603 85180 122559 44991 93842 109149 104892 92848 89094 91183 1 67118 60931 70632 61724 86341 83572 66655 76345 65738 56311 46626 26326 45621 66503 26932 1 51021 42376 56004 70630 36817 28376 47666 50138 62355 63110 38166 54920 34428 28486 57264 59931 59303 59243 38494 25067 37053 43387 43689 59050 42756 54750 31576 1 26324 36739 44385 57707 56013 42652 37436 45236 43651 50438 25514 45684 38797 55152 48218 45343 15294 49556 36661 45657 31079 42103 49220 47898 40146 43848 33637 29722 113.9927 *113.9928* C4 H2 O4 112966 109909 112990 241762 116529 110939 104477 105357 114853 110677 122931 117123 117668 223984 105990 120589 114893 112891 228892 113390 126300 121621 108599 123836 250195 120058 113604 121748 112074 120906 114525 126833 105366 126745 122907 122455 119834 124404 110211 104372 110786 110665 120547 118376 129330 123157 121711 127469 253564 114457 121072 128591 248907 266104 131588 128664 130941 123441 130993 136084 121602 126871 140492 134510 122096 127797 120597 128343 248544 136776 133175 124539 132068 127704 262825 249564 126333 126395 125786 122620 122081 120737 273804 122173 138165 134504 104533 124732 143795 142611 113.9928 *113.9929* 113.9929@1.0898968 38269 1 1 1 1 1 30547 1 28780 1 12497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14679 30366 1 1 1 1 1 1 22597 1 1 5354 14455 1 1 16993 1 1 1 1 1 1 1 1 1 1 1 1 15985 1 19384 1 1 1 1 1 1 1 113.9929 *114.0254* 114.0254@0.8737836 77892 78552 51264 48439 1 1 1 1 1 1 1 58471 1 1 1 1 76090 1 1 1 54973 56481 57762 59110 73692 1 1 1 69006 1 1 1 1 1 1 53300 80059 72145 1 1 1 1 52357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91150 1 1 1 38172 1 1 1 1 1 1 1 1 1 1 84051 84784 1 1 50568 1 80714 1 1 1 1 1 51256 50930 114.0254 *114.0258* 114.0258@1.239548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12969 1 1 1 2765 114.0258 *114.0271* 114.0271@1.1639785 1 1 1 1 1 1 1 1 1 1 1 1 1 10060 1 1 1 1 9863 1 1 1 1 1 18709 1 18993 20611 32309 26624 1 1 27850 21690 21558 20062 1 1 1 1 25124 19191 1 5286 1 1 1 1 25303 1 1 1 21873 13314 21422 21343 1 1 1 1 1 1 1 1 1 1 1 1 18848 1 10207 12693 17675 16983 1 1 1 1 1 1 1 1 1 1 1 16358 17375 15749 1 1 114.0271 *114.0282* 114.0282@1.1246705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22519 25199 1 1 1 26355 14728 1 1 1 1 1 1 18736 1 1 1 1 1 1 1 1 1 1 1 17947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7677 9303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40419 42430 114.0282 *114.0289* 114.0289@0.89621747 1 1 1 1 1 38097 56378 57183 37625 49828 36297 1 43691 56743 37618 53564 1 44140 41629 59713 1 1 1 1 1 55505 43816 36043 1 38948 49468 66176 45976 38427 38858 1 1 9892 32418 33099 57378 48516 68779 123490 55990 44987 37765 40580 52823 53019 66136 67615 51653 45186 35751 43026 48198 49523 55180 39572 59170 1 72861 70567 124697 81081 65948 95671 38794 40382 75220 60298 37338 40362 45018 1 1 1 41527 41280 1 41128 1 49696 43418 55080 35553 37955 49229 48834 114.0289 *114.0815* 114.0815@0.8118834 1835 1664 2090 2315 1885 1 2157 2087 2185 2129 2631 2460 2363 2606 2741 2360 2231 1 2683 2244 2895 2560 2271 2492 2111 2693 2588 2735 3065 2205 2620 2636 2280 2724 1 2582 2892 2531 2366 2261 2864 2699 2290 2535 2536 2536 2471 2579 2448 2488 2288 2304 2488 2501 2827 2930 2196 2611 2599 2864 2384 2305 2570 2968 2327 2369 2849 2810 2908 2614 2686 3020 2404 2589 1 2717 2890 2882 2710 2528 2561 2621 2523 1 2713 2570 2180 2388 2867 2308 114.0815 *114.9938* 114.9938@0.8685125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9938 *115.0248* 115.0248@0.8607947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2218 1 1 1 1946 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0248 *115.0265* 115.0265@0.8608305 1 1 1 1 2229 1 2198 1 1 3172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 115.0265 *115.0294* 115.0294@1.7424223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0294 *115.0299* 115.0299@0.8766549 1 1 2443 1 1 1 5879 1 1 1715 2090 1 1 1 3623 1 1 5175 1854 1960 1 1 1 1 1 1 2312 1 1 1442 3728 1 1 1 1 1 1 1 1 1577 1 1948 1 1 1 1536 1 1 1 1 1 1805 1523 1 1 1 1 7911 1 3791 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 3696 1 1 1 1 1 2265 1 1 1 1 2325 1 1893 1 1 115.0299 *115.0301* 115.0301@2.0847926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5680 1 1 1 1 1 1 1 1 1 1 1 1 115.0301 *115.0302* 115.0302@3.6466753 1 1 2905 3120 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 3391 1 2986 3089 3991 2101 3114 3749 3520 3266 3064 1 2580 1 3365 1 1 1 2838 3401 3315 3771 2784 3627 3250 2892 3290 2648 3317 4349 2609 2183 2625 1 2546 2492 1 2542 1 2848 2925 3734 3027 1 1 2646 1 1 2389 1 1 3199 1 1 1 2564 1982 3242 2704 3177 1 3015 3867 2746 2872 2367 1 2895 1 1 2604 115.0302 *115.0303* 115.0303@1.4201646 1 4954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7844 1 1 1 1 7285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4050 1 1 7901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0303 *115.0303* 115.0303@3.1662395 4834 1 4760 3716 3878 3872 1 1 1 3300 3091 4634 3627 1 4468 5162 3253 3345 4429 3837 4496 4343 4737 4611 4495 1 5640 6568 1 2685 4466 3821 4682 3975 5312 4585 1 4365 4391 1 1 1 1 1 1 3306 1 1 4979 1 4071 3368 3593 1 1 1 1 1 1 1 1 1 1 3869 4946 4262 1 3482 1 1 1 1 1 1 1 1 1 1 5382 4651 1 1 1 1 1 1 1 1 1 1 115.0303 *115.0303* 115.0303@2.2982423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4857 1 1 1 1 1 1 1 1 1 1 1 1 115.0303 *115.0306* 115.0306@3.1708353 1 1 1 1 1 1 1 1 3583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4489 1 1 5530 1428 1 1 1 1 1 1 4219 1 1 5195 4165 4438 6045 4910 5377 1 4738 4043 1 3786 1 1 1 3753 4651 4071 4166 4791 4426 4806 4764 4758 4384 1 1 1 3488 1 3905 4116 3814 5031 4311 4053 3771 4667 1 4824 1 1 4224 5201 4769 5360 1 4500 4580 4278 4791 4190 115.0306 *115.0306* 115.0306@2.2736073 3987 1 1 1 1 1 1 1 1 1 1 1 1 3815 2711 1 1 1 1 1 1 1 1 1 1 5498 6647 7231 6401 1 1 1 1 1 1 1 6161 1 1 1 1 1 3911 6544 1 1 1 1 1 1 1 1 1 1 1 1 5596 1 1 1 6340 5353 1 1 1 5886 1 1 1 1 1 1 5971 1 1 5374 1 3168 1 1 1 1 5647 5831 1 1 1 1 1 1 115.0306 *115.0307* 115.0307@1.4395899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4973 1 1 1 1 1 1 1 1 2529 2164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3329 1 1 1 1 7363 1 1 1 1 1 1 1 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0307 *115.031* 115.031@1.3685595 18341 14774 1 1 1 1 1 1 1 1 5293 12237 1 1 1 8311 1 12002 1 1 1 1 1 17329 1 1 9304 1 1 6331 1 20296 1 15779 3890 14453 1 1 1 1 1 7872 1 1 19113 16390 14678 8559 8353 7942 1 9425 1 11290 16453 13229 22655 1 1 9360 8981 1 12787 3727 1 4962 12601 1 1 1 1 22232 1 10437 20435 1 15471 1 22177 1 1 1 17736 13840 1 17459 13039 23574 21963 1 115.031 *115.0311* 115.0311@1.2972909 9284 11707 30364 30704 27727 29450 1 27145 1 22260 6736 1 1 25118 1 21627 1 13329 1 18058 30968 31307 26740 1 30544 30745 24249 34337 32167 8818 18877 1 1 9936 9725 1 25766 1 23332 26229 1 1 24389 24296 4493 11642 7077 16432 1 1 17479 12867 1 1 1 8454 1 5832 1 7542 5404 1 1 10229 1 1 1 1 1 1 1 1 1 8479 1 19279 9079 1 1 1 5010 1 1 1 1 4754 1 1 1 1 115.0311 *115.0359* 115.0359@0.90597814 1 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 4608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2277 6123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6888 3857 1 1 1 1 115.0359 *115.0411* 115.0411@0.9130457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0411 *115.051* 115.051@0.918932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1889 1 1 1 1 1 1 1 115.051 *115.0627* Proline 1 1 1 30119 53181 55990 1 1 67276 65482 1 34783 29172 29617 43118 41614 50339 47949 51532 51755 32772 33481 47153 48025 63017 62601 38831 1 48802 49545 48673 46738 54070 53725 57508 60670 65309 65574 34922 1 55556 1 42568 44318 40061 1 1 1 53961 52428 65526 66365 41708 43056 1 41042 1 1 50160 52170 59762 60805 1 1 46272 46142 60649 61010 48269 46771 44420 42549 40671 1 38472 37789 51948 51503 1 57926 1 1 1 1 1 1 1 1 36263 35739 HMDB00162 C00148 115.0627 *115.9957* 115.9957@0.78080636 136034 139429 148509 1 140641 139307 178216 175408 144952 150845 129369 123890 138405 1 139058 140253 143545 139012 137697 137367 106747 105124 133891 135857 1 140334 145973 142421 151462 149524 120002 120888 142520 145137 156893 158783 149329 142951 156337 155043 142856 148271 149280 152040 141227 147241 159689 161381 1 157119 128922 131587 151331 1 140974 142964 150172 145342 154142 154342 157217 157254 149470 147522 119655 119792 143052 144050 1 138823 144539 148570 153989 158295 1 1 139218 140826 153885 150615 165796 163366 1 159079 148800 145570 171861 170772 149861 151629 115.9957 *116.0113* Fumaric acid 21214 22828 20457 18748 25325 25161 1 12355 14171 12397 24884 20745 14195 17818 16585 19284 16344 17468 29025 28364 19669 27346 13176 15883 18995 19957 22885 25345 19753 15472 22375 25939 36595 33797 14328 15004 30588 30990 40288 39411 25711 23131 21893 20126 29700 28223 23707 23792 23371 23573 20489 21219 18161 16591 27609 27822 27367 27508 23432 23776 28367 25136 37123 34345 34880 37155 24426 16274 19210 16968 29272 26344 18961 21925 24882 23764 29003 23790 30023 26356 39872 39810 16214 15786 17835 18466 22023 21322 31845 31407 HMDB00134 C00122 116.0113 *116.0132* 116.0132@1.0309877 1 1 1 1 1 1 11129 1 1 1 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7234 1 1 1 1 5160 4201 1 1 1 1 1 1 7384 7336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7028 1 1 1 1 5554 1 1 1 1 7744 1 1 1 1 1 1 1 1 1 1 1 1 116.0132 *116.0181* 116.0181@0.9366291 1 1 1 1 1 1 1 1 1 1 3768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4778 1 1 1 116.0181 *116.0215* 116.0215@1.1081567 1 1 1 1 1 1 1 1 4362 1 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 2188 1 1 1 1 1 1 1 3563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2301 5126 1 1 2487 1928 1 1 1 1 1 1 1 1 1 1 1 3276 1 1 1 1 1 1 1 1 1 1 1 116.0215 *116.0226* 116.0226@1.1266681 1 1 1 2590 1 1 1 1 2508 2082 1 1 1 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0226 *116.0227* 116.0227@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0227 *116.0235* 116.0235@1.1582377 1 1 1 1 1 1 1 1 1 1 2358 1 1 1 1 1 1 1 2223 1 1 1 2294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8184 6917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0235 *116.0255* C8 H4 O 1 4344 6372 6450 5706 7608 4362 4817 5461 1 4611 1 1 5810 6100 6004 5436 4824 8274 6757 5206 1 1748 7676 1 1 1 1 1 2998 4544 5206 1 2636 1 1 7176 8169 1 1 1 1 5712 8449 7164 7232 4972 1 5310 7408 5555 8255 1 1 1 1 10726 8688 1 8593 6801 7753 7419 1 8894 8082 6861 2278 1 5386 2654 1 1 1 1 7908 12513 9349 5602 6899 9876 8224 1 6979 1 1 1 1 4696 6649 116.0255 *116.0271* 116.0271@2.5218942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0271 *116.0274* 116.0274@1.3730946 1 1 1 1 1 1 1 1 1 1 19700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0274 *116.0275* 116.0275@1.3859302 46696 1 1 1 1 1 34021 1 1 1 27274 1 1 1 1 1 1 56386 1 61832 1 1 112687 55762 1 1 1 1 1 30999 1 1 1 1 1 1 1 1 1 1 43112 43149 1 1 1 39711 1 1 44298 1 1 49330 1 1 1 44148 1 1 1 48231 1 1 35768 1 1 1 1 1 61286 1 1 1 1 1 1 1 40591 32257 1 1 89076 1 1 45388 1 1 52223 1 1 1 116.0275 *116.0275* C8 H4 O - 2.2819464 1 1 6867 1 1 1 1 1 1 9903 6290 1 1 1 1 17362 1 1 1 1 1 1 1 1 1 1 22513 20207 1 6771 1 1 1 2911 13813 13490 19209 1 1 1 1 1 1 28533 1 1 1 5180 1 10089 1 1 1 1 1 1 17061 8848 1 19504 26819 26854 14059 3898 19971 23726 18533 17635 18319 16899 15581 16413 17093 18508 18586 16014 23889 25038 17752 1 21745 12703 19901 7731 1 16627 17626 15114 1 1 116.0275 *116.0275* 116.0275@8.391126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6132 6296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5287 6306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0275 *116.0275* 116.0275@2.202341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10545 1 1 1 1 1 1 1 1 1 1 1 1 5519 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0275 *116.0276* C8 H4 O - 1.3085319 82617 1 129133 129250 123444 117421 80219 1 102861 93297 27179 1 108145 114879 1 129391 111757 59575 136797 75350 132618 136027 4381 65610 134563 1 149448 143489 133902 76505 88623 87794 1 1 96340 95222 1 109015 1 1 1 1 112982 104472 107386 67622 101100 105332 46996 1 86901 1 1 1 1 55235 91115 96293 96343 1 1 1 1 90209 99941 1 1 1 37597 1 1 1 99933 1 85726 87332 1 1 99285 79373 1 101121 74489 31960 1 1 1 101533 1 1 116.0276 *116.0276* C8 H4 O - 2.2230582 17802 17029 1 13423 13580 12110 14388 13377 12668 3329 1 14423 14277 11451 16605 10349 1 13735 16841 20845 21849 20350 1 14597 20642 23592 12358 1 22948 7731 14400 1 15957 9839 8049 1 10891 19468 1 17479 16157 15436 24538 13995 17625 1 21096 18873 17775 8424 14615 14201 16965 17529 17816 16435 1 8895 16469 8699 1 17256 1 4194 1 1 1 11266 1 1 1 1 1 11632 1 1 5912 1 1 1 1 10814 1 13905 1 1 1 1 1 1 116.0276 *116.0276* 116.0276@6.7330914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2858 4975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0276 *116.0276* 116.0276@1.7115653 1 1 1 1 1 1 1 1 1 6671 1 1 1 1 1 4857 1 1 1 1 1 1 1 5081 1 1 18467 1 1 1 1 1 1 1 1 1 9205 1 1 5426 1 1 1 1 1 1 1 5720 1 1 1 1 1 1 8896 1 1 1 1 16627 1 1 1 14575 1 1 1 9244 1 1 1 1 1 1 11048 5816 7384 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0276 *116.0276* 116.0276@1.7802378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10914 1 1 1 1 1 1 1 1 1 1 1 1 8481 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0276 *116.0278* C5 H8 O S - 3.6473255 5761 6506 8451 7751 10335 9394 8188 6051 7825 8192 6055 8625 8357 8321 9463 9869 7662 7922 8828 10627 9518 9181 14877 12907 10481 11141 13102 13134 16846 14412 9555 9569 9456 1 10933 11718 10031 13044 9065 10606 12068 10645 13023 10420 10136 9689 13000 9947 11551 10710 7438 11676 10683 9788 8866 8255 8411 8122 10441 12754 13452 13617 7439 9605 7186 5512 12153 13413 9560 10091 11191 12744 9805 9428 10474 9518 10797 10292 10534 10634 12760 12753 10477 11367 9725 10229 11776 12633 6931 7582 116.0278 *116.0278* 116.0278@4.3264146 1 1 3993 5006 5024 5213 6334 5678 1 4889 1591 4794 5926 3884 5122 5659 1 1 4332 4913 1 1 1 1 5244 6271 5735 1 7983 6771 1 1 8335 8045 6417 5948 5124 4220 5151 1 7160 6425 1 1 5388 3922 1 1 5513 4744 4762 5318 1 1 4969 4540 1 1 1 1 4760 4733 1 1 1 5645 1 6784 1 1 6279 3846 1 3033 1 1 1 4898 5951 4032 8515 9368 1 1 5196 5533 6107 4366 1 1 116.0278 *116.0278* 116.0278@2.0382106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0278 *116.0279* 116.0279@1.2710843 1 1 1 1 1 1 1 1 1 1 22931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0279 *116.0279* 116.0279@3.7980824 1 1 1 1 1 1 1 1 1 1 2972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0279 *116.0279* 116.0279@4.9154224 1 4811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0279 *116.028* 116.028@3.4903326 1 1 1 1 1 1 5488 4686 1 1 4474 6163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6329 5915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8055 7618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7169 8237 1 2524 116.028 *116.028* 116.028@4.1651263 1 1 1 1 1 1 1 1 1 1 1 1 3593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.028 *116.0282* 116.0282@8.285305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0282 *116.0284* 116.0284@2.957009 1 1 1 1 5082 1 1 1 1 1 1 1 6834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6635 1 1 1 1 1 1 7824 1 1 1 1 7198 6629 1 1 1 2616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7951 1 1 1 1 1 10262 2791 6069 116.0284 *116.0297* C5 H8 O S 12237 10845 15805 13429 7994 9256 8924 9192 11662 9710 12898 14762 6902 13921 17452 18029 14989 14068 1 18717 18999 18219 19801 16279 15596 19305 19925 22182 20136 18685 18182 11931 14269 16596 17108 17379 18172 18017 20434 17811 18046 16309 18153 18320 17037 18946 17056 16487 16780 19276 1 12825 16689 8830 18393 18888 15802 16847 18797 12564 18111 16595 10202 16924 15173 15420 15586 15577 16663 17884 15623 17010 17743 17273 15594 15210 16360 18095 11560 8155 18836 18880 18177 17691 1 1 18864 7960 16405 20621 116.0297 *116.0305* 116.0305@3.1480772 1 1 1 1 1 1 1 1 1 1 1 1 5345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0305 *116.0338* 116.0338@3.1589808 1 1 1 1 1 4241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16131 1 1 1 1 1 1 1 1 4922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13865 19435 1 1 1 1 116.0338 *116.0384* 116.0384@2.7832537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 5896 1 1 1 1 1 1 6165 1 1 1 1 1 2928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6897 6186 1 1 116.0384 *116.0391* 116.0391@3.1384168 1 1 1 1 1 1 1 1 1 2835 1 1 1 1 1 1 1 1 2821 1 1 1 1 1 1 1 1 1 1 1 1 1 3493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17058 1 1 1 1 1 1 1 1 1 1 116.0391 *116.0426* C4 H8 N2 S 8646 1 9937 11873 14288 10929 8045 1 10868 10338 5212 15457 15294 14316 11161 14173 18089 11482 7025 23111 23862 31064 15137 13518 22765 14189 11441 12300 13445 6849 19838 23059 13183 12092 1 9523 18838 17046 19355 21791 13401 15589 21748 23728 1 15951 21667 18114 17223 16577 24586 27335 9086 17560 24771 17649 17134 17156 26353 8384 12023 21600 14874 20233 13814 13635 21198 22819 5694 18765 15382 9079 24158 22289 31948 33571 11727 15679 12664 1 6351 30748 16818 14469 1 16624 14534 11041 39613 15175 116.0426 *116.0428* 116.0428@3.1394227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9331 1 1 1 1 1 5198 1 1 1 1 1 116.0428 *116.0446* 116.0446@2.70873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20024 1 1 1 1 1 1 1 1 22645 1 1 10952 1 1 1 1 1 23926 19466 1 1 1 27252 29275 1 1 1 1 1 23822 116.0446 *116.0868* 116.0868@0.7820244 1 1 1 1 1 1 2281 2256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0868 *116.9968* 116.9968@0.781091 1 1 1 18897 1 1 1 1 1 1 1 1 1 17230 1 1 1 1 1 1 1 1 1 1 18102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19724 1 1 1 1 18977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17442 1 1 1 1 1 18376 19688 1 1 1 1 1 1 20068 1 1 1 1 1 1 1 116.9968 *117.0295* 117.0295@13.486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0295 *117.0409* 117.0409@1.2248923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3945 1 1 1 1 1 1 1 1 1 1 117.0409 *117.0415* 117.0415@1.7098072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 1 1 1 1 1 1 1 1 1 1 117.0415 *117.0422* 117.0422@1.1612059 1 15911 1 1 1 1 4414 4512 1 1868 1 1 1 1 1 1 1839 1 1 1 8578 1 1 1 1 1 1 1 1 1 7863 9158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5627 1 14121 10932 1 1 3476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5314 5240 1 1 1 1 1 1 1 1 1 1 117.0422 *117.057* Indole 8106 7177 11173 10331 6702 7105 7062 6923 8327 8953 9443 8871 7298 7164 10635 10232 6643 6335 10205 9392 7839 8071 9602 10825 9128 9359 9394 9497 8695 8537 9135 8079 5015 5038 6716 6255 8117 7190 6919 6693 8566 8925 11267 10860 7124 7241 9582 9762 11490 11565 8275 7732 8896 8393 10952 10746 8461 8338 10564 10801 14313 14064 9058 7894 6049 6118 7876 7984 9288 10064 11370 12253 10176 9130 9226 9154 11314 11854 10360 10170 10698 10908 11958 12049 9034 9953 10685 11470 6896 6321 HMDB00738 C00463 117.057 *117.0781* 117.0781@1.2660244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4231 1 1 5256 4813 1 1 1 2744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0781 *117.0784* isoamyl nitrite 115383 114109 112223 112705 97713 103531 90584 89753 114749 115887 101989 101951 92623 97368 129650 131969 107731 106861 113966 112678 112072 106784 98881 99245 137379 138348 104793 104449 132940 131263 83223 82193 93589 95264 101558 102682 132111 127921 97285 98309 101721 98600 203823 208761 113938 115327 152604 148469 143255 141907 98746 103040 117548 117274 125439 128675 142729 144476 131773 136134 186398 185193 78814 78285 154096 151786 131578 134446 134847 136254 88604 88794 130939 127014 149435 151288 204338 204728 142794 143134 135468 134532 191203 188647 124012 121841 150545 151821 98567 96422 HMDB02786 117.0784 *117.9814* 117.9814@0.8434477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 117.9814 *117.985* 117.985@0.8240296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.985 *117.9938* C3 H3 Cl N2 O 17110 18427 19655 18351 17997 17245 22495 21859 17744 19224 17101 16088 17936 17075 17927 16968 17910 18142 16736 17056 13142 13589 17521 17320 18060 17847 16894 18331 19313 18615 15954 15571 18155 18656 19706 20279 18469 18086 20998 19920 17894 18533 19234 20372 19007 17422 19405 20054 21075 20373 16268 16597 19260 19235 18354 18104 18937 18869 19961 19289 19969 20077 18343 20274 14878 14946 18027 17915 19128 17288 17964 18852 19562 19140 18316 18739 17078 17810 17629 18477 19720 21388 19304 19882 19443 19268 21835 22807 20183 18889 117.9938 *118.026* Erythrono-1,4-lactone - 1.9339892 21028 1 15524 14911 1 1 1 1 8888 8618 5999 16685 9338 9949 12265 12221 9423 9690 12955 13509 21908 20841 8400 8714 11941 12364 22475 22781 15033 6036 13926 13254 17386 16950 12396 13545 14008 13617 39197 38828 14757 14669 25140 23362 11470 4898 16985 17209 12965 12660 11968 11654 9804 9468 17056 16769 13395 14451 15517 17258 17133 15967 19558 19638 17907 18048 19308 21419 10858 10853 44822 45033 26971 25644 17724 17142 39567 39716 46344 50621 25659 26191 21153 20236 35405 36239 22283 21511 27909 28499 HMDB00349 118.026 *118.0262* 118.0262@1.9550401 1 1 1 1 1 1 1 1 1 1 10149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0262 *118.0263* Erythrono-1,4-lactone 15558 15436 11277 10549 15368 16287 14055 16321 12859 11499 14441 13784 9483 9838 13880 14199 12450 12433 16119 13611 11302 11457 11679 12000 11430 11948 12219 11105 10456 6120 15449 15793 17313 19373 14260 12486 17566 14053 18105 18281 14092 13160 14722 15098 15283 17189 14697 15804 16401 16055 17439 19333 10962 10882 12334 12697 15069 15008 12666 14396 22091 21026 17647 16633 14613 14893 14844 13645 11883 11607 18404 19702 16361 16221 15431 15957 21394 22015 18682 19515 20461 19256 14164 13540 16599 16794 18151 17168 15499 16105 HMDB00349 118.0263 *118.0265* 118.0265@1.9084723 1 21330 1 1 9747 9448 8980 9493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0265 *118.0265* 118.0265@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0265 *118.0271* 118.0271@1.169633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 2615 1 1 1 1 1 1 1 1 1 1 1 3598 2463 1 1 1 1 4552 1 1 1 3895 3134 1 1 3139 1 1 1 1 1 3227 3285 1 1 5351 4190 4436 3675 1 1 3152 3575 2863 3048 1 3162 1 1 1 1 118.0271 *118.0347* 118.0347@0.94303536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0347 *118.042* 118.042@0.94961405 1 1 1 2417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 2967 2557 1 1 1 1 1 1 1 1 1 2982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.042 *118.0619* a-hydroxyisovalerate 7299 7257 5309 6135 4382 5473 7897 7629 4257 4472 7694 6953 5539 6145 5389 5340 3748 4584 6597 6249 5969 6329 4166 3990 6839 7148 6046 5467 5399 4829 6435 6166 6076 6385 9517 8313 5702 5845 7845 6960 4494 4885 6846 6816 9955 10445 6545 7138 3376 3301 4755 5144 4980 5207 6456 7202 8544 8913 8653 7534 7021 6813 7273 6663 10369 9261 9842 10281 6138 5957 5173 4937 7224 7275 7090 6615 7850 6783 12470 12457 7051 7449 13103 13812 8194 6772 10026 10381 5600 5241 118.0619 *118.062* a-hydroxyisovalerate - 3.5221016 5455 4396 4544 4757 6107 7128 1 11381 2758 2718 3671 4654 4419 4166 2624 2770 3926 4247 4949 5528 3736 3532 4125 4142 5001 4676 4320 5053 3646 3702 5188 4403 4816 5349 3663 3001 4498 3969 6126 6033 3145 3771 4066 3958 3968 4862 4619 3545 3845 3387 6442 6894 3984 3959 4300 5274 5686 6309 4789 4569 3282 3231 5226 5450 5543 5862 4765 4827 4271 4133 3357 3790 4782 5719 3485 4342 5344 5699 8838 9724 5609 5913 5704 5739 4704 4208 5562 5642 6014 5935 118.062 *118.0621* 118.0621@3.7583408 1 1 1 1 1 36430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3367 1 1 1 118.0621 *118.0624* 118.0624@3.205387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4376 4665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0624 *118.1549* 118.1549@3.7341704 2182 2290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1549 *119.0117* 119.0117@14.870192 1 1 1 1 1 1 1 1 1 1 3460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0117 *119.012* 119.012@14.81741 1 1 1 1 1 1 1 1 1 1 3825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.012 *119.0565* 119.0565@0.8667226 43327 37523 35179 40416 31827 28530 25258 25480 27370 1 41173 40370 33600 1 44643 54489 30220 27100 1 26973 21593 21894 26890 35182 38152 36337 33277 32176 34721 35085 40708 52302 26981 23325 26619 26612 32413 28956 22322 1 33587 33987 31862 40346 19119 25237 1 23374 32265 41943 25851 34658 30055 30435 37101 32181 1 28758 31469 33124 38684 39047 21260 26709 23814 22700 26327 32359 29624 20911 38137 36098 26472 32285 25924 25699 44529 53505 28361 36827 37421 47580 30570 32626 29359 28296 27767 1 25923 26129 119.0565 *119.0581* D-Homoserine 1 5563 5986 1 1 1 6187 5860 8723 36735 7332 6573 1 34056 12089 1 5666 6344 26928 1 5669 1 7395 1 5964 7942 1 1 6306 5690 11221 1 1 4126 7111 7505 1 5368 5359 27476 1 1 7401 1 6323 1 23391 1 10910 1 9108 1 1 1 1 6475 30178 1 10550 10062 8690 8398 6297 1 8718 10078 7178 1 1 7891 7970 9616 5941 1 7697 8203 10229 1 7569 1 9810 1 8136 7872 9040 9353 7460 34881 7947 8122 119.0581 *119.9378* 119.9378@0.85876364 3181 1 1 1 1 1 1 1 1 1 2106 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3707 3441 1 1 1 1 1 1 1 1 1 1 3642 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 3605 1 3894 1 1 1 1 1 1 1 1 3467 1 1 1 1 3345 2665 1 1 1 1 1 3064 3111 1 1 1 1 1 119.9378 *120.0404* 120.0404@0.8680419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0404 *120.0436* 120.0436@0.624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@0.6588358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3646654 3595899 1 1 1 1 602915 1 1 1 1 3419933 1 1 1 1 1 1 1 1 1 1 1 1 1 3652612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3873623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@0.701419 1 1 1 1 1 1 1 1 1 1 1070159 1 1 1 1 1 1 1550165 1 1 1 1 1 1 1 1 1 1 1 420439 1 1 1807590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2329862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@0.75052106 1 1 1 1 1 1 1 1 1 1 186955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364113 1 1 1 1109825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* Purine - 1.1716841 1202513 1114618 1502322 603298 1 1521237 1209109 1156808 1447418 1322041 362794 878943 1342675 1306457 1096790 818192 1231920 1465691 1523493 981563 1389918 1210815 1496722 1458006 1575516 1288094 1265065 447816 1159212 437181 1 894292 1124954 1055879 1095757 1133397 1633902 1482571 1607755 1468741 1074445 1220587 1433407 1359980 1819091 1734702 1739125 1511918 1595536 1583052 1490725 1352158 1598037 319144 1 1739454 1021664 1634110 1487067 1095999 1728915 1646299 1 1 1254332 1464006 1515062 1310865 1389728 1 1325575 1188366 1763942 1314706 1430218 1497425 1490161 1586126 547442 1512250 1838107 1839445 1645580 1627816 1174059 1398245 1500012 1459682 1012332 1010494 HMDB01366 C00465 120.0436 *120.0436* 120.0436@3.79451 1 1 1 1 1 1 731606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465503 1 1 1 1 1 1 1 1 1 1 96890 1 1 1 1 1 1 1 1 1 1 1 395526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258540 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.0397376 1 354539 1 1 1 1 1 1 1 1 1 199982 1 1 1 553188 1 1 1 427778 1 427693 1 187817 1 308467 237954 1 284047 1 1 1 556941 1 181679 372911 218330 1 1 261324 467042 448292 1 1 1 1 1 269216 1 1 1 1 1 1 1 1 606548 1 1 214395 1 1 1 59489 1 1 1 1 1 1 1 1 1 476291 1 1 126531 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.5033135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194978 1 1 1 230816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@2.098405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214724 1 302808 1 1 1 1 1 1 1 1 1 1 312127 1 1 1 1 1 1 1 1 1 1 1 259069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319945 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@2.958485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151279 1 179110 1 1 1 1 1 1 1 1 1 1 226365 1 1 1 1 1 1 1 1 1 1 1 250308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127270 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@3.1692739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190758 1 120834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165450 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.063438 1 1 1 1 1 1 1 1 1 1 1 566332 1 1 1 1 1 1 1 1 1 1 1 96542 1 1 420835 1 1 1 1 1 1 1 100521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@4.9243016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328064 1 1 1 1 1 1 1 1 1 1 157182 1 1 1 1 1 1 1 127103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787306 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@5.001276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.1149569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@8.840442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0437* Purine 372635 372530 1 1 329740 364699 120354 334890 398157 383483 341283 393416 415619 417665 317268 300787 356912 363246 1 332534 308256 413595 369441 320788 380471 1 1 1 375515 405127 364792 324958 393416 372557 363915 372514 369094 332944 333970 393224 365861 337287 338767 333850 353044 413384 347966 52309 346851 398555 356058 333466 390748 365749 338884 405548 343785 382968 320602 375592 367137 412863 377489 475071 382352 358941 311490 331133 356114 369628 363429 314726 378651 335036 345959 356961 348461 356783 357206 352637 336237 343421 356199 384593 356895 370132 393920 324545 356965 318771 HMDB01366 C00465 120.0437 *120.1343* 120.1343@13.782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1343 *120.1343* 120.1343@2.0592287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12694 1 1 1 1 1 1 1 1 1 1 15337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1343 *120.1344* 120.1344@13.574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1344 *120.1344* 120.1344@13.625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1344 *120.1344* 120.1344@13.814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1344 *120.1345* 120.1345@13.654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1345 *120.1345* 120.1345@13.686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1345 *120.1345* 120.1345@3.688446 1 1 1 1 1 1 15082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1345 *120.1345* 120.1345@12.262846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1345 *120.1346* 120.1346@0.7056099 1 26717 1 35974 1 1 99613 1 1 1 6358 1 1 1 1 1 1 1 1 62523 1 1 1 1 1 1 1 1 1 18721 1 1 1 1 1 1 1 1 32820 1 1 36959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28509 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1346* 120.1346@1.1870304 48695 1 1 24488 1 1 1 1 1 1 36819 1 1 1 1 1 1 1 1 1 45857 1 1 50960 1 37365 52194 51519 1 25182 1 1 1 1 46502 48850 1 1 1 1 46175 1 1 1 1 1 1 48982 1 1 1 1 1 1 1 1 41634 1 1 44894 1 1 1 1 60214 1 1 1 58131 65612 51817 1 1 1 60397 1 1 1 1 1 1 1 41500 60919 55234 1 1 1 42926 42815 120.1346 *120.1346* 120.1346@13.538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1346* 120.1346@3.832161 1 1 1 1 1 1 40502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12508 1 1 1 1 1 1 1 1 1 1 1 10298 1 1 1 7184 1 1 1 1 1 1 1 1 1 1 1 1 14729 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1346* 120.1346@1.4437327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4630 1 6416 1 1 7548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1346* 120.1346@0.7120133 1 48872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1346* 120.1346@5.000275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1346* 120.1346@8.843439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1346 *120.1347* C4 H16 N4 11947 11963 10434 9751 11139 10409 9967 1 10008 10769 10826 11811 12066 10406 11242 1 10192 10344 1 10519 9497 15986 10531 9499 9677 1 9528 1 9559 10927 10319 9815 11478 11301 11653 9676 11073 1 9434 9835 9085 9056 10016 11316 10051 9966 1 10958 9685 1 9985 9152 9316 10409 9316 11439 1 9597 9277 10520 10586 10775 11351 9420 11339 9801 8896 9691 10243 10188 9164 9050 8030 9616 9433 9864 11456 10822 10043 9985 9088 9996 9853 10465 9712 10220 9839 7758 9510 9599 120.1347 *120.1347* 120.1347@1.0437505 17602 1 1 11127 21243 1 1 1 1 1 16096 1 1 1 17185 10853 1 12871 8042 16467 16351 17076 1 8011 14057 1 10009 12827 15652 20342 15582 13405 32949 1 3792 19011 1 1 17129 10628 17933 15913 9682 8040 1 1 8159 10719 1 1 1 1 1 11856 1 16667 1 1 1 8726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5318 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1347 *120.1347* 120.1347@1.0920316 1 1 1 38173 1 1 1 1 1 1 10672 20598 1 1 1 1 1 1 1 1 1 1 1 4587 1 30547 18056 20374 1 6781 1 1 1 1 1 1 1 1 1 15008 1 1 1 1 1 1 1 16988 1 1 1 1 1 1 1 1 21673 1 1 6479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3524 1 1 1 1 1 1 1 1 1 1 1 1 13821 120.1347 *120.1347* 120.1347@1.1738741 1 66174 64445 1 44251 64066 46724 56099 59485 54188 1 42475 56617 55546 48873 62863 60370 52999 63161 45752 1 49370 63432 10112 52482 1 1 1 48642 12948 41427 46534 49670 46037 1 1 71871 68250 52223 51672 1 46494 60028 56672 68571 72995 65658 1 66949 64906 60915 58529 64843 53221 71270 49789 1 65561 64804 16305 66361 67925 74944 1 1 57072 60231 62185 1 1 1 44373 71674 69168 1 59217 58131 59088 73951 69579 72814 70205 1 1 1 54982 55748 56081 1 1 120.1347 *120.1347* 120.1347@13.295248 1 1 1 1 1 1 13021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1347 *120.1347* 120.1347@14.797493 1 1 1 1 1 1 1 1 1 1 96309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1347 *120.1347* 120.1347@4.928657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29997 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1347 *120.1347* 120.1347@3.2057037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1347 *120.1348* 120.1348@14.91102 1 1 1 1 1 1 1 1 1 1 20994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1348 *120.1348* 120.1348@2.2711844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1348 *120.1349* 120.1349@2.942809 1 1 1 1 1 1 1 39131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17264 1 1 1 1 1 1 1 1 1 1 1 13422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1349 *120.135* 120.135@4.234356 1 1 1 1 1 1 26351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.135 *120.9525* 120.9525@0.8764391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1791 1929 2035 1 1 1 1 1 1 120.9525 *121.0452* 121.0452@0.72223175 1 1 1 54988 1 1 1 1 88392 1 1 1 1 1 1 54023 1 51550 64263 1 1 1 1 1 1 1 28062 1 1 26802 77119 1 1 1 1 1 1 1 48028 90554 78551 60035 1 78183 1 1 65966 1 1 1 1 1 1 1 1 53961 1 50993 1 1 1 1 1 22468 1 1 1 49984 1 52252 1 1 1 43801 59602 1 1 1 1 53393 1 1 87887 78423 66460 1 1 1 1 1 121.0452 *121.0452* 121.0452@4.723439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40777 1 1 1 1 1 1 1 1 1 1 1 1 35183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0452 *121.0453* 121.0453@1.1073776 1 12017 1 1 1 1 19812 1 1 22169 10617 1 1 1 1 9036 1 1 25342 1 1 1 68794 36992 1 37545 1 1 1 1 1 1 1 1 13078 43175 9344 1 1 1 1 1 1 1 1 1 1 43451 1 1 1 1 1 37962 1 1 1 1 1 1 1 1 1 1 45202 1 1 60426 1 1 1 1 15667 1 1 1 1 1 1 1 1 1 32461 1 1 26610 1 1 1 1 121.0453 *121.0453* 121.0453@3.835785 1 1 1 1 1 1 27063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0453 *121.0453* 121.0453@1.4760438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0453 *121.0454* 121.0454@1.2520804 1 1 1 1 1 1 1 1 1 1 27697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6362 1 1 1 1 1 1 1 1 1 1 20116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0454 *121.0454* 121.0454@14.775583 1 1 1 1 1 1 1 1 1 1 39062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0454 *121.0456* 121.0456@0.7977996 1 1 1 21743 1 1 1 1 1 1 1 1 1 1 1 22657 1 1 19139 1 1 1 1 1 1 1 20490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0456 *121.0457* 121.0457@4.061249 1 1 1 1 1 1 21723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0457 *121.9413* 121.9413@0.8406033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 1 1 2686 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.9413 *121.9442* 121.9442@0.81417847 4991 4371 5142 5066 3337 5605 6383 6063 5357 5389 4496 4914 4266 4745 3725 5092 3801 4339 5821 4426 5009 4967 5608 5671 5133 5250 5434 3401 4940 1994 5235 4857 5278 3423 4800 2864 5347 5127 3969 5809 4927 5091 5158 5007 5705 3706 2863 5259 5824 3980 4570 3059 5098 5109 5371 2902 5935 4533 4697 4928 2031 2626 5427 4600 3433 4979 3454 4936 5335 4094 5173 2108 5159 4627 3328 5545 3717 5652 6493 4527 5735 5675 4564 5275 3787 5006 6454 6104 3551 3664 121.9442 *122.021* 122.021@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.021 *122.0403* THIODIGLYCOL 1 2887 1 3011 3438 2885 2362 1 3212 3414 4085 3495 3573 2494 2920 4559 4807 5103 3299 4114 3752 1 3579 5168 1 2834 4575 3273 1 2612 3931 4921 1 3367 3241 2868 3495 4898 3394 1 1 2579 1 1 1 1 1 1 5509 4344 3677 4265 1 1 1 1 3700 3666 3060 3569 3493 3594 3760 1 1974 3447 2835 3135 3918 3165 2517 3684 3683 3664 3466 3577 4017 3340 4420 4134 4081 4064 5643 5952 3248 1 5124 4665 1 3603 122.0403 *122.0409* 122.0409@4.2985806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2735 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4038 3389 1 1 1 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3226 3671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0409 *122.0445* 122.0445@14.879153 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0445 *122.0452* 122.0452@14.843303 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0452 *122.069* 122.069@10.587438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4152 4536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.069 *122.0706* 122.0706@8.2264595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3812 3890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0706 *123.0066* 123.0066@14.383158 1 1 3883 2916 1 1 1 1 1 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1863 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3602 3061 1 1 1 1 1 1 1 1 123.0066 *123.007* 123.007@13.4437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1334 4521 1 1 1 1517 1 1 1 1 3288 1 1 1 3296 1 1 1 1 1 1 1817 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 123.007 *123.007* 123.007@14.5591 1 1 1 6583 1 1 1 1 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 2603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4596 1 1 1 1 1 1 1 1 1 123.007 *123.0072* 123.0072@14.22776 1 1 1 1 1 1 1 1 1 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0072 *123.0075* 123.0075@13.72662 1 1 1443 1318 5452 1 5402 1 1 4292 1 1 1 1 1 1 1 1 1 3587 1 1 1 1 1 1320 4520 5572 1 2403 1 2331 1 1 1 1 2832 1 1 1 2315 1 2021 1 1 1 1 1691 2041 1 1 1 1 1 1 1 1 3241 1 1 1 3029 1 1 1 6472 1 1 4649 1 1 1 4323 1 1 1 1 1 3772 1872 2014 2226 1 1 5106 1 1 1 1 3548 123.0075 *123.0075* 123.0075@14.333473 1627 1 5293 3535 5656 1 1 1 1 3238 1 1 1 1 1 1 1 1 1 4181 1 1 1 1 1 1 5291 6828 1 1 1 4202 1 1 1 1 4812 1 1 1 2644 1 3943 1 6362 1 1 2823 6014 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 1 4332 1 1 1 1519 1 1 1 1 1 1 1 4772 2876 1 1 1 1 1 1 1 2749 123.0075 *123.0076* 123.0076@14.041562 1 1 4175 1663 2137 1 1 1 1 5388 1 1 1 1 1 1 1 1 1 7384 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 1621 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5045 1 1 1 1 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 1 123.0076 *123.0081* 123.0081@13.273743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0081 *123.0189* 123.0189@13.576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0189 *123.0313* 123.0313@1.192194 1 1 1 1 1 3091 4968 5172 3748 3630 2716 3060 1 1 2916 3461 2994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3570 3351 4490 4247 3164 1 2580 3397 3115 3516 1 1 1 1 4177 3862 1 2975 3872 3679 1 1 1 1 3940 3509 1 1 1 1 2935 3302 3726 4186 2706 2795 38034 37273 8190 7715 4286 3865 4008 4211 7819 7450 1 1 123.0313 *124.0265* 124.0265@14.393999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1 1 1 1 1 1 124.0265 *124.0514* p-Methylolphenol 3933 5105 4678 3776 1 1 8776 9164 6967 7258 1 1 1 1 3340 4146 6756 7492 3310 4582 1 1 7739 7947 3667 4383 7515 7365 4216 5617 3481 3685 5488 6244 3349 3186 5174 6696 2726 2985 2489 1 1 1 10462 11010 1 1 5923 6747 5982 7681 1 1 6007 2117 6709 7523 1 1 1 1 3723 4181 7394 9750 12727 12380 3303 3392 3602 4415 3784 4589 1 1 1 3306 6246 6998 13088 12524 3320 3606 9447 8385 6465 6447 1 1 124.0514 *124.0514* 124.0514@4.274389 1 1 7384 8244 1 1 9007 11427 1 1 1 1 1 1 4632 4321 1 1 1 1 1 1 1 1 3451 3639 5563 4946 1 1 1 1 6075 6254 1 1 2664 2732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5467 5488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5337 4895 1 1 1 1 124.0514 *124.0517* 124.0517@4.3832765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10139 9718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0517 *124.9083* 124.9083@14.192115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 1 1 1 1 1 1 1 1 1 2913 1 1 1 1 1 3017 1 3297 1 1 2213 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4563 5123 124.9083 *124.9084* 124.9084@14.220904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.9084 *125.0135* C5 H3 N O3 17141 16671 18762 18576 12415 11793 22349 23385 1 18483 20880 20328 15418 15585 17256 18256 13997 14578 1 29610 14330 14060 16987 15313 14677 13244 27142 28367 11670 8887 15823 16770 20972 22543 10029 11073 11903 12613 1 1 24592 1 23177 23799 18900 17681 32665 30191 20489 23329 20205 20103 1 16359 17358 16831 1 1 18475 18972 19963 20927 7189 7537 18609 19154 16973 16565 1 18875 1 37901 19288 1 14210 15537 14572 13745 1 17144 20530 20102 19385 17996 21590 22020 1 1 12887 12768 125.0135 *125.0139* 125.0139@0.85854024 1 1 1 1 1 1 1 1 19921 1 1 1 1 1 1 1 1 1 29269 1 1 1 1 1 1 1 1 1 1 4223 1 1 1 1 1 1 1 1 60814 56281 1 25587 1 1 1 1 1 1 2092 1 1 1 15711 1 1 1 23824 23960 1 1 1 1 1 1 1 1 1 1 17941 1 35277 1 1 18562 1 1 1 1 16079 1 1 1 1 1 1 1 19758 19263 1 1 125.0139 *125.0223* C4 H3 N3 O2 54267 52763 40149 39213 40836 46495 62276 62672 37774 42036 41243 41346 35027 40669 31506 34741 30439 32544 44215 44314 45043 43817 37191 37789 50135 48423 28011 29434 39002 37595 24775 29773 55967 56438 48304 45002 55235 55402 36916 36163 40267 40911 35011 31990 43555 48763 33625 33081 34319 33551 45212 43571 36121 35564 36266 36113 42032 43053 35130 37457 35833 36455 32028 33338 32600 32529 38254 38430 33293 36289 30327 28397 38398 37676 26652 30132 30378 31446 68108 67191 47736 47186 61027 66607 58746 59669 31762 33578 33022 31017 125.0223 *125.0228* 125.0228@1.3724284 1 1 1 6581 1 1 1 1 1 1 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0228 *125.0239* 125.0239@1.3804119 1 1 1 1 1 1 1 1 1 1 2911 1 1 1 1 1 6778 1 1 1 1 1 1 1 1 1 1 5559 4317 3516 7461 1 1 1 2386 1 1 1 1 6475 1 1 1 6459 1 1 1 1 1 8029 1 6254 1 1 1 1 4438 1 1 1 7774 9849 1 1 1 1 1 7795 1 7733 1 4563 1 5603 5558 1 1 1 1 2787 1 1 1 1 1 1 1 1 1 1 125.0239 *125.0466* 125.0466@3.6352663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0466 *125.0508* 125.0508@13.582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0508 *125.0535* 125.0535@13.563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0535 *125.9983* 125.9983@1.1848959 7148 7225 1 1 1 1 2773 3136 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28288 27887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.9983 *126.0002* 126.0002@0.88830733 1 1 1 1 1 1 3133 5745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3520 1 1 1 1575 3684 4523 2255 1 1 1 3013 126.0002 *126.0018* 126.0018@0.8940891 1 1 1 1 1 1 2992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 3734 4300 1730 1 1 2395 1 1 2057 1 126.0018 *126.031* 126.031@3.290928 1 1 1 1 1 1 5235 6135 6722 4549 1 1 10103 9605 13196 13508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4305 4861 1 1 1 1 2523 1 10660 10760 1 1 1 1 1 1 1 1 1 1 3766 3547 5404 5558 4941 4977 1 1 1 1 1 1 5249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.031 *126.0311* 126.0311@3.251973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0311 *126.0672* 126.0672@3.977317 1 1 1 1 1 1 1 1 1 2470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0672 *127.0262* 127.0262@1.0062642 1 1 1 1 1 1 2552 2982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1844 2311 1 1 1 1 1 1 1 1 1 1 1 1 2330 2333 1 1 1 1 1 1 1 1 1 1 127.0262 *127.0366* 127.0366@13.486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0366 *127.9117* 127.9117@0.9058949 1 1 1 1 1 2089 4108 4679 4614 4661 3242 3537 1 1 1 1 1 1 5009 4743 1 3503 1 1 1 1 4440 4053 1 1 2755 2657 1 1 2654 2660 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6029 6080 1 1 1 1 1 1 4010 4100 4303 4805 1 1 1 1 1 1 6637 7089 1 1 5650 5159 5625 5752 4994 4596 2511 2818 1 1 1 1 127.9117 *128.0074* 128.0074@0.8586927 1 3193 5146 1 1 1 3147 1 1 1 3542 1 2627 2965 1 2832 3217 1 4815 2816 3344 5236 2872 2793 3213 3067 1 1 3088 3411 1 1 1 2682 2724 2850 4358 3060 3248 3450 2667 1 3548 3185 1 2887 1 1 3251 2938 2918 1 1 3187 5580 3121 2703 2822 2795 2724 2580 3399 2592 2929 2735 3127 3313 3404 5255 2812 2592 3127 1 2939 2425 1 3233 3559 3296 3683 1 3489 3024 3357 2842 2902 2802 2604 3149 3098 128.0074 *128.0083* 128.0083@0.8173566 4698 2324 1 5138 5003 5322 1924 2529 2369 2194 2140 5212 2528 2542 5113 2453 2753 2532 1 2376 2862 1 2640 2359 2683 3076 1 2111 2517 2610 4745 2537 5663 2731 2685 2602 2429 2643 2040 2363 2443 2580 2660 2839 5602 2352 5202 5849 2888 2485 2528 5508 5688 2225 1 2663 2933 2733 2444 2829 2546 2249 2896 2698 2638 2764 2667 2373 1 2865 2965 3049 2795 2364 2957 5425 2988 2964 2513 2464 6082 2863 2820 2812 2954 2888 2540 2778 2941 3226 128.0083 *128.0463* 128.0463@3.8925388 1 1 1 1 1 1 3528 3308 2566 3340 1 1 1 1 1 1 1 1 1 1 1 1 2688 2464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 3661 1 1 1 1 128.0463 *128.0465* 128.0465@4.229375 1 1 1 1 1 1 2590 2603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0465 *128.0466* 128.0466@2.906014 1 1 1 1 1 1 2624 1 1 1 1 1 4117 3699 1 1 1818 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4737 5143 1945 1 1 1 1 2137 1 1 1 1 2724 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17406 18274 128.0466 *128.0567* 128.0567@0.8628319 8390 8779 8366 8185 11706 11752 7122 8361 8284 8654 8636 8399 12603 13087 13242 12500 7928 9553 5569 7091 6191 6953 9433 8185 11164 11433 6844 7562 14223 10355 15268 15594 7824 8454 13831 13799 9217 15228 8352 6839 8659 8359 12931 7634 13351 8333 10100 15689 17256 16735 7389 8186 13324 14203 7899 8202 8703 7854 16703 8031 7859 8282 5968 6448 14388 13703 7715 8857 14588 14548 1 14792 9030 9402 12080 11500 6790 6380 8796 8333 17681 10087 6809 6958 8317 8238 7264 7712 7934 7854 128.0567 *128.0575* 128.0575@0.95595056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 128.0575 *128.0578* L-gamma-Cyano-gamma-aminobutyric acid 30925 23394 13000 13849 1 1 18080 17581 26053 22009 5844 18690 1 1 1 1 1 11751 9076 7163 15108 6954 14571 10097 1 1 5913 1 1 3187 1 1 1 1 1 1 15051 1 16296 8147 10034 10073 1 4870 1 5997 1 1 1 1 8925 7841 1 1 9395 1 8661 22379 1 7912 23542 24465 22060 19618 1 1 7785 1 1 1 15189 1 1 17057 1 13597 20004 20898 23709 13836 1 1 10880 23255 9776 18439 10663 10434 7947 6490 128.0578 *128.0803* 128.0803@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0803 *128.0827* 128.0827@8.285385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6708 4867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0827 *129.042* 129.042@1.4380971 1 1 1 1 2917 1 1 2482 1 2095 4470 1 1 2701 1 6476 4859 1 1 1 1 5555 6132 1 1 1 7033 1 1 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3080 1 1 5463 6080 1 1 1 1 1 1 1 1 1 1 1 1 1 2886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.042 *129.042* Pyroglutamic acid - 1.5171912 24143 26926 22052 23035 14378 16302 18169 17338 15760 13612 20172 23881 18364 18691 24114 15339 9558 16415 30659 29304 17687 16668 13507 20886 27266 25580 37759 45215 34164 30362 17655 16079 30262 26229 22920 22585 21149 21526 30102 28532 33419 35663 28865 29289 31537 32898 29209 28809 35591 32338 15736 16692 23225 20000 35503 35813 30258 31304 41267 41196 42607 39342 46292 39687 37864 33078 39166 35854 49607 49218 42167 42793 42884 39102 37704 38999 32548 32771 42774 44609 69398 70266 25559 25071 48648 47663 57678 52705 36927 37071 HMDB00267 C01879 129.042 *129.0421* 129.0421@1.347632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9750 1 1 1 1 1 1 1 1 1 1 1 52172 52946 1 1 1 1 1 1 1 1 1 10506 1 1 1 1 129.0421 *129.0424* Pyroglutamic acid - 1.2783064 44689 46097 42475 43223 27794 28442 27382 25752 23773 23191 39857 38596 31096 30354 39819 36893 27020 27839 45936 44929 29714 29875 31871 30982 39948 36788 1 1 54836 25290 26849 28588 39420 41030 29696 31242 29507 29740 43870 42742 46205 46249 43184 43375 49573 51082 41314 41912 44496 45517 22941 23542 29212 32369 47622 49767 1 1 60745 62284 52698 1 52789 57994 1 1 54067 50658 1 1 1 1 1 1 1 1 47963 49100 1 1 1 1 1 1 1 1 73102 70131 1 1 HMDB00267 C01879 129.0424 *129.0424* 129.0424@1.2935547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61649 67147 1 22097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41698 42003 1 1 1 55479 1 1 60976 56395 1 1 58223 55897 52831 53877 50281 46488 1 1 1 1 51896 49624 82495 85002 26889 25826 54842 46382 1 1 49349 49376 129.0424 *129.0429* Pyroglutamic acid 5432 3875 5351 5782 4759 4690 4738 6025 5414 4989 4297 4456 5110 5058 4961 5231 5162 5181 4913 4974 4545 4532 5814 5547 5256 5210 5162 5240 5559 3960 5149 4910 6084 5959 5128 4962 5139 5340 5353 5435 5881 5618 5803 5399 5291 6022 5558 5237 5133 6148 5382 5624 4702 4703 4829 5481 6536 5677 4986 4796 4062 5179 4136 3978 5595 1 3594 5311 4748 4752 7022 6466 5106 4958 4908 4793 5004 4494 5486 6610 6157 5768 4500 4835 5298 4419 5033 6328 5588 5143 HMDB00267 C01879 129.0429 *129.0458* 129.0458@0.909922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0458 *129.0471* 129.0471@2.2763133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4945 5137 129.0471 *129.075* 129.075@1.2474973 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.075 *129.9652* 129.9652@0.88270396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4158 3855 1 1 1 1 1 1 1 1 2800 1 1 1 1 1 1 1 5566 3531 3970 1 1 1 1 1 1 1 1 1 3145 1 1 1 5670 1 1 1 1 1 1 1 1 1 1 1 1 1 129.9652 *130.0109* 130.0109@0.78902596 1 1 2584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0109 *130.011* C5 H6 O2 S 4036 4494 1628 4145 4549 1 4851 5110 1 4146 3624 3108 4130 4230 3961 4026 2854 3360 2140 2950 2320 2694 1 3456 3701 4041 4375 2921 4237 4379 3195 3223 4704 3233 4684 4712 4213 4432 2363 3712 4321 3911 4326 4214 3853 3582 4441 4477 5217 4919 2663 3395 3747 3784 3670 4301 3654 3520 4767 3595 3640 3166 4218 4430 3387 3105 3744 3810 2711 3830 3960 3972 4317 2898 3989 3936 3990 4597 3969 4340 4826 4278 4674 4081 3656 4146 5286 4905 4113 5616 130.011 *130.0264* Glutaconic acid - 0.98035145 10566 10684 8018 7109 3413 11483 12336 12019 9809 4817 3433 10389 6270 7088 9777 10166 4607 3949 11562 11931 7318 7609 8203 8717 9287 8362 8545 8123 8401 4888 9931 10504 12320 12867 10538 10228 4260 4046 8723 8000 11101 10089 10275 5030 9789 3009 4694 2898 9983 10636 5365 6999 8435 8557 9015 8745 11121 12819 3772 3426 3776 3825 10435 10357 5063 4321 8299 8418 2759 1 5028 4053 4199 2566 4642 6966 12994 12486 12581 12013 12548 13003 7728 7561 1 11474 12412 12801 12760 11414 HMDB00620 C02214 130.0264 *130.0264* Citraconic acid 1 1 1 1 10513 1 1 1 1 9724 4479 1 1 1 1 1 8953 9508 1 1 1 1 1 1 1 1 1 1 1 4000 1 1 1 1 1 1 11372 11252 14710 15742 1 1 1 9137 1 10536 11635 14212 1 1 12575 12192 1 1 1 1 11482 12307 9526 9432 13149 14499 10274 11695 8826 9262 10561 9961 9345 9028 12022 12155 12781 10700 11023 11747 1 1 1 1 1 1 9331 9323 10268 1 1 1 1 1 HMDB00634 C02226 130.0264 *130.0265* Glutaconic acid 1 1 4777 4511 4611 4818 3108 2977 7240 6540 7312 7719 4969 4302 1 1 4337 3432 8282 8794 10058 9815 5591 5445 2101 1995 4257 4812 6329 4384 2203 3094 2273 1734 3500 4027 4178 4070 8322 8232 4403 5490 3189 2073 4550 4501 4913 4782 5427 4910 5840 4869 6838 6376 4606 4537 10895 10227 3838 4557 5344 3194 9240 9781 2263 2370 3912 3172 2871 2850 5170 5426 3426 2221 6658 6666 1 1 1 1 3825 4201 4727 4821 7465 7566 6180 6127 1 1888 HMDB00620 C02214 130.0265 *130.0268* 130.0268@2.8649182 1 1 1 1 1 1 9390 8389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0268 *130.027* Glutaconic acid - 1.2568557 33272 34592 31143 29779 39905 38665 33346 34239 36877 38245 20112 35357 28085 28872 37630 36367 35130 35249 38626 40777 33551 31533 32974 32012 33465 33218 16615 18510 30183 33724 47576 46682 46857 49384 35858 36643 43343 43158 39353 41313 33874 36947 35697 36278 37676 40984 36244 34352 51550 45486 53236 50508 35289 35789 38954 34969 36659 32432 40198 37560 44044 46175 37663 37841 38980 37264 38335 37334 27722 17237 41788 35172 37964 36150 25305 28913 50323 56341 13717 30989 51441 49558 42105 44329 33949 33273 42253 44303 41538 46185 HMDB00620 C02214 130.027 *130.027* 130.027@1.4515938 1 1 3989 1 1 1 1 1 1 1 16928 1 1 1 1 1 1 1 1 10461 1 1 1 6336 1 1 1 9719 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10039 6322 1 1 1 1 1 1 1 1 1 2707 7125 1 1 1 1156 1 1 1 1 1 10483 1 1 1 1 12567 9134 1 1 23951 1 1 1 1 1 1 1 1 8133 1 1 130.027 *130.0276* 130.0276@1.4861062 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0276 *130.0276* 130.0276@1.7097737 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76299 1 1 1 1 1 11611 1 1 1 1 1 24550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0276 *130.0279* Glutaconic acid - 1.5243738 8968 10468 1 1 12050 12336 13692 12357 1 1 2868 11243 1 1 11166 9879 8054 1 14935 4569 10376 9750 1 2013 12053 10783 1 12769 11892 7298 1 1 15624 11432 6878 1 11274 1 16860 15237 1 13238 8489 1 11719 12828 1 4173 9845 15424 1 15204 3934 1 1 9522 88140 16744 8360 4563 1 17520 10750 13161 1 1 11918 9917 5829 14056 22345 1 19082 1 22463 11763 23794 28150 25863 14887 28333 22328 1 1 5651 24356 19388 13068 21272 18095 HMDB00620 C02214 130.0279 *130.0285* 130.0285@1.3720233 1 1 1 1 1 1 1 1 1 1 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0285 *130.0339* 130.0339@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0339 *130.0446* C6 H10 O S 7209 1 1 6994 9187 1 7462 9681 1 1 6543 13407 7426 7909 1 6873 9150 7532 11667 10532 15408 16421 1 1 14577 15589 11537 5607 9204 6569 8729 8546 1 1 1 1 8908 8787 1 11007 1 1 10416 1 10948 9686 10897 10625 1 7191 10304 10707 1 1 7004 1 7835 1 11308 11371 8573 1 1 7247 1 1 8072 1 1 1 1 4624 8374 8303 1 1 11798 12279 13162 11365 1 1 1 10332 1 1 1 1 9510 10956 130.0446 *130.0452* C6 H10 O S - 2.6695955 1 5555 5962 1 1 2854 1 1 5493 5961 4562 1 1 1 6828 1 1 1 1 1 1 1 6915 6916 1 1 1 1 1 2528 1 1 1 4251 5984 5869 1 1 2417 1 1 1 1 10383 1 2275 1 1 6581 1 1 1 6468 6483 1 6340 1 7833 1 1 1 7990 7990 1 6572 7724 1 7143 5979 5802 5256 1 1 1 7087 6906 1 1 1 1 11159 11288 10551 1 7353 7660 5864 4682 2036 1 130.0452 *130.0457* 130.0457@2.2490351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6159 1 1 1 1 1 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0457 *130.0468* 130.0468@2.2653184 4603 1 1 1 1 1 7209 3232 1 1 1 1 4962 4214 1 1 1 1 1 1 1 7555 1 1 1 1 1 1 7820 4798 6638 6348 4613 5295 1 1 5689 6460 13772 12850 1 1 1 1 1 9654 6664 5405 1 1 1 1 1 1 1 1 6638 5960 5341 6863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7569 7659 1 1 9060 8463 1 1 1 1 1 1 1 1 20441 19694 130.0468 *130.0502* 130.0502@2.277025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3233 5424 1 1 1 1 1 1 1 1 1 1 1 1 130.0502 *130.0535* 130.0535@2.2816882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4956 4727 1 1 1 1 1 1 130.0535 *130.062* 130.062@5.3377457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2747 3009 130.062 *130.0624* 3-Methyl-2-oxovaleric acid 81409 81487 58982 60352 63945 74016 53900 56794 66359 66025 78648 80227 77639 75590 72285 3372 72575 70401 144163 142138 118613 122039 90393 92122 124023 126108 102444 104116 114343 114659 109322 106060 83831 82450 52617 53495 124689 126354 96847 100656 87676 3499 137895 139686 80291 77074 115777 119016 95510 94982 118968 119269 103088 100956 129997 132869 108054 110629 120711 120841 147202 144659 99392 1827 87698 89802 147351 145953 123603 121490 113970 115316 120825 120972 135677 137501 154533 155822 174683 174318 3390 2649 151297 151092 101949 102139 71906 75489 147194 147506 HMDB00491 C00671 130.0624 *130.0624* 3-Methyl-2-oxovaleric acid - 3.889969 104072 102248 85404 84756 87974 90715 63720 64451 76594 76531 103125 103246 119203 119449 76479 78409 78021 77978 199573 205278 164086 165102 109225 114138 129881 133471 118662 119646 124250 129099 123599 124508 72092 82226 53201 54360 143056 142249 116564 121286 93299 96799 167992 167187 103578 103501 144210 146278 112370 111098 123269 123559 112822 112374 145080 146643 155985 161581 174646 173744 149764 148870 118288 119695 107005 105755 161260 162579 180506 178882 146578 147059 135792 134544 206658 180351 215326 207953 235100 243696 165283 162675 217661 218430 111746 113746 72928 73632 193309 192461 HMDB00491 C00671 130.0624 *130.0624* 130.0624@3.7962217 1 2839 1 1 7510 1 4305 1 1 1 1 1 1 1 1 72481 1 1 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 9417 1 1 1 1 1 1 1 1 87060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100267 1 1 1 1 1 1 1 1 1 1 1 32368 1 1 1 1 163800 165180 1 1 1 1 1 1 1 1 130.0624 *130.0684* 130.0684@0.9245592 1 1 1 1 1 1 1 1 1 1 3691 4119 4143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5978 5421 3490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3485 6279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4097 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0684 *130.1579* 130.1579@3.6977913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 2366 2012 2064 2070 1 1 1 1 1 1 1 1 130.1579 *130.1593* 130.1593@3.894751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3252 2998 1498 2213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 2602 1 1 1 1992 1 1 1 1 1 1 1 1701 2233 1911 1987 2687 1 1 1 1 1 1 1 2306 2908 2606 1 1 1 1 3040 2800 3231 2964 3637 3963 2222 2208 3263 3418 1 1 1 1 2672 2801 130.1593 *131.0566* 131.0566@0.87099344 2473 3054 1 2474 1 1 1 2379 1 1 2894 3341 1 1 3105 3454 1 2824 1827 2577 1 1 1 1 4878 5218 2100 2415 2700 2195 4423 4997 3329 2672 1 1 1 1 1 1 1 1 2324 1 1 1 1 1 1 1 4567 4750 3818 4450 1 1 2802 2843 1 1 2511 2978 1 1 1 1 1 1 1 1 3431 3260 1 1181 1 1 2423 1 2396 2983 2606 2436 1 1 3518 3521 2474 1 1 1 131.0566 *131.0579* 131.0579@1.7199717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0579 *131.0686* Creatine 1 1 1 1 6967 6722 1 1 1 1 1 2573 1 3164 1 1 1 1 1 1 5079 5054 1 1 7557 6712 2461 1 3428 3271 6169 5515 1 1 1 1 1 1 1 1 1 1 3766 3618 1 2580 1 1 3153 3617 1 1 4228 3257 1 1 4563 3975 1 2992 1 1 1 1 4026 4200 3522 3716 4447 4412 6468 6098 5197 4113 3451 3444 1 1 4901 4534 2496 1 3016 3695 3565 3588 1 1 3033 3422 HMDB00064 C00300 131.0686 *131.073* 131.073@6.6306496 1 1 1 1 1 1 5205 5622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3038 3331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3566 3221 1 1 1 1 131.073 *131.0733* 3-Methylindole 1 1 2638 1 3148 3089 10539 10578 1 1 8660 8653 2628 3047 1 1 4052 3386 2724 2659 3298 3179 5465 4744 6642 6669 3758 4036 3420 4267 4599 3675 5904 5787 7526 7520 1 1 4321 3145 3663 3840 2750 2672 3839 4817 3390 3308 4702 5338 4674 4906 2384 2267 2538 2251 1 1 6079 6414 2766 2532 1 1 5055 5108 4097 4489 9247 9139 1 2468 1 1 4154 3666 4296 4588 4601 4658 2123 1 10946 10237 5230 5536 5179 5906 2733 2865 HMDB00466 C08313 131.0733 *131.0935* 131.0935@2.8036819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 5061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0935 *131.0937* Isoleucine 80991 78834 58070 54496 57075 54130 1 1 71493 74199 19373 55495 56762 55220 79232 80028 55703 56460 67667 70073 59346 61305 61507 61620 101204 98658 1 1 91112 32275 57793 57844 1 63547 59088 1 89688 98478 53513 56487 1 66465 130097 132188 67932 65968 79244 82851 88630 87270 73791 73573 74255 74102 92496 91594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C00407 131.0937 *131.0937* Isoleucine - 2.0780413 1 1 1 1 1 1 59373 60036 1 1 20061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76814 77219 1 40106 1 1 60597 1 1 58646 1 1 1 1 68366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84318 85310 67796 71143 144648 147316 51501 50808 100742 98122 103000 102671 76913 80537 73514 70100 91205 87303 86696 87737 119678 118990 96702 99839 108008 106235 112712 113169 73562 75690 73303 74280 56333 55824 C00407 131.0937 *131.0937* 131.0937@2.379448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4226 1 1 131.0937 *131.0941* Leucine 203499 205292 177131 172281 136027 136674 145474 142584 183081 189631 145098 150275 161517 161812 199534 196119 136559 133393 177575 174644 164326 161145 145960 145967 226054 217927 204733 206478 216360 201374 127838 125237 152532 153644 150838 148810 252072 252570 141860 145527 156595 156848 331666 333688 179102 177928 208091 211932 229237 225638 159867 159679 185215 186430 215991 219962 224024 228890 207562 209245 338877 337798 112497 112555 255652 258242 219010 221768 214646 215041 184234 187827 212633 211280 224164 227623 329804 332692 243343 246293 235745 235901 290924 291927 187637 189145 210954 205539 120176 120377 HMDB00687 C00123 131.0941 *131.9734* 131.9734@0.81997997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.9734 *131.9735* C3 H Cl N2 O2 204426 206532 228352 224689 244482 247986 238765 236944 241479 243380 241594 236264 240671 243741 250389 255232 236657 236197 251840 252770 255705 254603 255974 251693 230226 229240 238772 238313 226637 222131 261457 263145 242251 246912 232462 233978 233754 228738 246365 247902 240522 243251 238225 237990 235529 235210 246965 246392 236364 240143 265397 263514 235398 235466 249510 243020 265800 260103 236191 235960 213118 215025 212986 213393 263624 258098 253411 256516 258705 263303 243869 251051 234050 233343 254373 252575 251584 248535 252276 246755 236796 234705 219771 219161 244526 245748 237831 239534 229467 227670 131.9735 *132.005* Oxalacetic acid 4083 4377 3564 3600 5109 4287 3765 4188 4629 4383 4581 4674 3563 3332 4705 5654 5613 3638 4970 5199 4287 5180 3785 4130 3976 4872 2895 1 6094 5015 6549 5912 6723 6686 4971 5341 6083 7919 5334 5470 4372 4497 5223 4229 6371 4656 4606 4654 6237 6038 7948 6665 4480 6246 5886 4287 6953 7015 4853 4502 5585 6541 6561 5114 5912 4995 4240 4442 4330 4460 6660 5110 5928 7268 6166 5993 7408 7077 6665 5818 8381 6605 9491 6882 7738 6612 6552 6820 7412 5976 HMDB00223 C00036 132.005 *132.0143* 132.0143@4.016418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3589 1 1 1 1 1 5887 1 4188 4936 2302 1 1 1 1 1 1 3747 4790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0143 *132.0183* C3 H4 N2 O4 3752 4106 7761 6255 7930 6767 2740 3182 2692 1681 1569 7535 6132 2221 6456 1 1 1 3627 2783 6747 5873 6098 2278 2710 4003 4837 1 5838 3418 1 1 4612 4067 4859 1 3808 3308 1 4927 5491 6636 3883 1 5979 4170 1 1 1 1 4210 1 1 1 1 1 4347 1 1 1 1 1 1 4629 4791 1 1 1 1 1 1 1 1 1 1 1 1 1 4634 1 1 1 1 1 1 1 1 3939 1 1 132.0183 *132.0184* 132.0184@3.7754076 8163 8315 1959 8832 8209 8322 4173 4833 1 1 1359 1 1 7210 2618 1 1 1 5702 1958 1 1 1 1 6111 1 1 1 1 1 1 1 1 4892 1 1 3161 1 1 1 2554 5683 4873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0184 *132.0184* 132.0184@8.775934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2262 1 2706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 1 1 1 1 1 1 3365 1 1 1 1 3377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0184 *132.0185* 132.0185@3.5885763 3756 1 1 1 1 1 3035 3101 1 3141 1774 4162 2951 1 1 1 1745 1 1 3609 1 1 2655 3572 1 1 1 1 1 1 1 1 1 3587 1 2655 1 1 1 1 1 1697 1 1 1 1 3394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3119 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0185 *132.0187* 132.0187@4.7823496 1 1 1 1 1 1 1 1 1 1 2770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0187 *132.0187* 132.0187@5.985697 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0187 *132.0189* 132.0189@5.3851733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 2562 1 1 3720 3526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 1 7409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 1 1 2960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0189 *132.0189* 132.0189@4.250002 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0189 *132.019* 132.019@4.8756843 7131 7074 1 1 1 1 1 1 1 1 2400 5110 1 1 1 1 1 1969 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 6359 4380 5511 5400 3280 1 1 1 1 3438 1 1 3510 1 1 5668 1 4085 1 1 6924 6020 4654 7195 4861 1 1 6383 1 4303 9979 8636 5224 4442 5962 8800 5741 5597 6056 5942 6311 4951 9623 9994 6792 1 1 1 7653 5127 9691 7520 5030 7819 4172 3378 8782 9097 132.019 *132.019* 132.019@6.6806564 1 1 1 1 1 1 1 1 1 1 1 1 4103 1 1 1 1 1 1 3471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.019 *132.0191* 132.0191@4.294578 7105 5633 1 6963 1 1 11432 1 1 1 1 1 1 1 1 1 1 1 5396 6443 1 1 1 1 1 1 1 1 1 1 1 1 6426 6669 1 1 4600 1 1 1 1 2418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0191 *132.0191* 132.0191@3.8050168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0191 *132.0192* 132.0192@3.186633 1 1 1 1 1 2481 5605 1 1 1 2325 1 1 1 1 1 1 2689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6318 1 1 1 3486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0192 *132.0192* 132.0192@4.4735737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0192 *132.0193* 132.0193@3.3630877 1 1 1 1 1 1 5368 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0193 *132.0193* 132.0193@9.27571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0193 *132.0245* 132.0245@0.9540352 1 1 1 1 1 1 1 1 1 1 2818 2876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0245 *132.0257* 132.0257@0.93405336 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0257 *132.0396* 132.0396@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0396 *132.0407* 132.0407@14.694913 1 1 1 1 1 1 1 1 1 1 5562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0407 *132.0424* 132.0424@3.125619 1 1 1 1 1 1 2760 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5825 6274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 2064 1 1 1 1 1793 1965 1 1 1693 1 132.0424 *132.0432* 132.0432@13.538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0432 *132.0434* 132.0434@14.737738 1 1 1 1 1 1 1 1 1 1 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0434 *132.047* 132.047@0.880976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4835 4897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.047 *132.0496* 132.0496@0.8624006 1 4815 1 1 4318 2277 1 1 1 1 4190 4167 1 1 1 1 1 1 1 1 4988 2915 3006 2728 1 1 3885 1 4979 1 1 3947 1 1 3169 1 3835 1 1 1 1 1 1 1 1 1 2197 1 5807 5447 3495 3497 1 1 4303 1 3659 1 4268 4114 1 1 1 3927 4997 4835 1 4177 1 2787 1 5694 1 1 3227 1 1 6079 1 1 1 1 3894 1 1 1 3828 1 1 3870 132.0496 *132.0697* C7 H13 Cl 2190 1867 1 1 2720 1 2043 3174 1928 2099 1339 1 1 2362 1 1 2503 2014 1 1 1 1 1 1 1 1 1 1 1750 1 3086 3922 2535 1 1 1 1 2140 2041 2496 1 2390 1 2116 1 2223 2515 2064 1 1 2537 1 1 1 1 2274 1 1 2288 1 1809 1 1801 1 1 2526 1 2362 1 2277 2415 1912 1 1 1 1 2184 1 1 2282 1940 1 1771 1718 1 1990 2017 2113 1 1 132.0697 *132.0772* C6 H12 O3 1 1 3999 1 1 1 1 1 1 1 2652 2358 1 1 1 1 1 1 4166 4579 1 2943 1 1 4795 4635 3712 3384 2842 3077 1 1 2665 2378 1 1 1 1 3205 2526 1 3503 4310 1 2814 2978 1 1 1 1 4527 1 4334 4331 4151 4251 2375 1 2314 2411 3619 3454 3677 3811 3639 1 1 4163 1 1 3229 3248 1 4939 3195 3052 2369 2323 2260 2396 3153 2219 1 1931 1 2834 1 1 2548 2961 132.0772 *132.0774* D-Leucic acid 1 1 2318 3879 1 1 2931 3164 1 1 1836 2610 1 3309 2904 1 3530 3486 3789 3362 1 3731 2393 1 2692 2340 3344 2728 3877 2760 3333 1 3686 3685 1 1 4803 1 2248 2615 3705 1935 3886 4161 3718 3065 3373 3978 1 3290 2427 2709 2874 2334 3437 3758 4279 2256 4385 4816 3375 4197 4094 3920 2279 3963 3371 1341 1 2555 3359 3322 4588 4094 1 2446 5668 1 1 4364 5836 5506 4460 4610 2337 2448 3926 3256 3617 3945 HMDB00624 C03264 132.0774 *132.0781* 132.0781@4.8276625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 1 1 1 1 1 1 1 1 1 1 1 2503 1 1 3737 1 1 1 2639 1 1 1 3186 1 1 1 1 1 1 1 1 4344 1 1 1 4990 4967 1 1 1 1 1 1 3738 3935 132.0781 *132.0833* 132.0833@0.8260031 1 1 1 1 1 1 1 1 1 1 4809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5853 1 1 1 1 1 1 1 1 1 1 1 1 132.0833 *132.0881* 132.0881@0.9040159 1 1 1 1 1 1 1 1 1 1 10023 1 1 1 1 1 1 1 1 1 7277 8005 1 1 1 1 1 1 1 6076 1 1 1 1 1 1 9397 11249 13284 1 1 1 1 1 9604 9000 1 1 8860 1 1 16225 1 1 1 1 1 10766 9488 11563 15070 1 8897 8568 10386 6519 15920 15615 10761 12061 1 1 1 14457 9234 9228 5947 2247 11337 13560 10668 14208 1 15597 24330 20709 23332 1 13520 1 132.0881 *132.0884* C5 H12 N2 O2 19478 17468 16402 16006 12544 11556 29442 30436 20053 20110 1 14729 14933 14571 14182 14264 25585 28148 14285 13281 19690 19526 16673 15548 1 15852 9878 9400 11939 4135 22310 23162 23220 22061 14749 17666 1 1 1 17042 14452 13936 1 1 1 1 17549 17808 1 10397 16588 18314 11936 21721 18583 1 11300 21811 1 1 1 22024 1 1 1 4339 1 1 1 1 21478 18804 18689 1 1 1 1 1 1 1 1 1 15592 16704 1 1 1 22692 1 13157 132.0884 *132.0889* DL-Ornithine 18335 17264 18721 18880 26321 28960 16101 15748 22206 23256 18640 22488 25130 23361 33277 33477 17074 17693 24338 26318 1 1 1 17138 26350 25433 24300 24081 29771 28903 17465 17449 20621 24348 24916 20235 26322 25299 23169 19821 25004 22609 30148 37513 24786 22360 17871 17245 30155 28573 15333 1 20708 1 22231 22722 21673 1 25296 28569 28528 28121 22875 24643 22307 21090 26020 26199 29007 26825 19918 23147 25098 28613 21141 21547 22574 23216 23561 20767 26699 27376 16758 1 25142 26547 20797 20624 17314 11892 HMDB00214 C00077 132.0889 *132.0959* 132.0959@2.0510676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1772 1576 1 1 1 1 1 1 4510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0959 *132.0968* 132.0968@2.3085945 1 1 1 1 1 1 1 1 1 1 4716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3982 1 1 1 1 1 1 1 1 132.0968 *132.0972* 132.0972@2.2400942 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0972 *132.9783* 132.9783@0.759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9783 *133.0374* 133.0374@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0374 *133.0386* 133.0386@0.9301294 8632 9212 1 1 4004 1 1 7865 6890 1 4520 9925 1 1 1 4100 1 1 11046 1 1 1 1 1 1 1 1 3472 3902 1 1 8099 1 5223 1 1 4357 1 1 1 1 1 1891 4807 3830 1 5082 1 1 1 4525 1 1 1 1 5877 1 1 1 1 1 1 1 4041 4126 7059 5175 5542 1 1 1 1 1 1 1 1 1 9823 8046 7265 1 1 1 1 1 1 1 1 1 4288 133.0386 *133.0527* 133.0527@4.1275744 1 1 1 1 1 1 4937 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3463 1 1 1 1 1 1 1 1 1 1 1 133.0527 *133.072* 133.072@0.86106145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.072 *134.0211* 134.0211@1.1779145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4448 1 1 1 1 1 1 134.0211 *134.0212* Diglycolic acid 32482 1 1 1 1 1 22834 23385 21443 1 1 1 22164 1 1 1 29114 1 40326 44608 1 1 26222 1 35022 1 1 1 1 38070 1 4172 1 1 27945 29810 1 1 1 1 1 44840 1 45365 1 1 41298 42089 43409 44837 37710 36957 1 1 46402 1 44402 1 1 1 1 49329 1 1 7366 7090 1 1 1 1 1 46202 1 42385 1 1 57400 56211 1 56147 1 72090 34442 31754 35508 35238 40249 40905 58064 3754 HMDB02317 134.0212 *134.0281* 134.0281@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0281 *134.0566* 134.0566@1.5682633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6769 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4002 1 1 1 1 1 1 1 1 8514 1 1 134.0566 *134.0567* 134.0567@1.6270742 1 1 1 1 1 1 4198 4395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7219 6824 1 1 1 1 1 5962 1 1 1 1 1 1 1 1 1 1 1 1 4768 7382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5814 9865 1 1 1 1 2335 1 3815 4108 1 1 134.0567 *134.0568* 134.0568@1.7399162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0568 *134.057* 134.057@1.6108451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.057 *134.0574* 134.0574@1.2942506 1 1 1 1 2611 3278 3843 3621 5872 7309 2142 1 2271 1 1 1 1 1 1 2098 1 1 4278 3390 1 1 1 1 1 1 1 1 1 1 1 1 3197 2823 1 1 5094 5105 1 1 1 1 2833 2584 1 1 1 1 1 1 1 1 1 1 1 1 8985 8981 1 1 2478 1 1997 1 1 1 1 1 1 1873 1 1 1 1 1 1 2142 1913 1 1 3110 3392 2604 2508 1 1 134.0574 *134.0718* 134.0718@6.10634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5526 4781 1 1 2991 2986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3665 3194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 4352 1 1 1 1 1 1 1 1 1 1 5630 4909 1 1 1 1 1 1 1 3025 1 1 1 1 134.0718 *135.0068* 135.0068@14.798489 1 1 1 1 1 1 1 1 1 1 2530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0068 *135.007* 135.007@14.871186 1 1 1 1 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.007 *135.0071* 135.0071@14.838324 1 1 1 1 1 1 1 1 1 1 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0071 *135.0079* 135.0079@14.901062 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0079 *135.0136* 135.0136@7.0345297 1 1 1 1 1 1 1 1 32082 32180 26221 25384 5308 5395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62934 60070 1 1 1 1 3381 1 8249 8261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44006 41716 14225 15490 1 1 1 1 77098 69952 1 1 3749 3540 1 1 1 1 1 1 1 1 1 1 1 1 135.0136 *135.0428* 135.0428@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0428 *135.0674* N-Acetylarylamine 5536 5405 10107 10040 11856 12027 27743 29204 3295 2931 20822 20764 18020 17704 3822 5038 5367 5603 7496 6620 2951 2412 2722 2593 8116 8181 3333 2980 18941 19626 1 1 12137 11732 7775 7945 4905 4871 1 1 17769 16994 2883 3407 5352 5913 7209 7398 26326 28138 2492 2833 1 1 4463 5169 1 1 1 1 11316 11774 3282 3369 16032 14930 27947 27698 5784 5193 10679 11797 4369 4562 4172 4053 6308 5561 3508 3625 38158 37916 1 1 9190 9508 6060 6957 1 1 HMDB01250 C02558 135.0674 *135.9663* C3 H4 O2 S2 3725 4180 4032 4254 4809 4763 4347 4390 4221 5007 4719 4818 4805 4973 4702 4548 4587 5090 5049 4980 5146 4724 4810 5029 4710 4569 4642 4857 4364 3296 5359 5180 4573 4850 4351 4534 4549 4466 4455 4380 4571 4747 4613 4717 4629 4708 4826 4647 4823 4618 5086 5303 4479 4780 4855 4425 4980 5340 4826 4321 4180 3933 4561 3749 5171 4911 5101 5009 5398 5184 4653 5224 4287 4548 5245 4947 4474 5328 5119 4793 4774 4568 4162 4306 4488 4699 4658 4502 4468 4095 135.9663 *136.018* 136.018@4.422753 1 1 1 1 1 2540 10810 10475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3428 1 6970 7818 1 1 1 1 3272 4234 1 1 7505 8397 5168 5407 1 4116 4212 4118 1 1 1 1 1 1 1 1 1 1 1 1 6779 5874 1 1 1 1 4994 5311 1 1 1 1 1 1 8425 9240 1 1 3882 5036 4152 5146 1 3233 1 1 136.018 *136.0337* 136.0337@3.1715634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 2458 1 1 1 3148 1 1 1 1 1 1 3177 1 3363 1 1 2630 1 3202 1 1 1 4376 1 1 3905 1 1 1 1 1 3536 1 1 3802 1 2923 1 1 1 1 1 1 3300 1 1 136.0337 *136.034* 136.034@3.6542583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.034 *136.0343* 136.0343@1.3346133 7369 1 1 1 1 1 1 1 4207 1 4703 5325 4910 1891 4533 4623 3880 2579 1238 2684 8693 1 4167 1990 7391 6420 5549 2819 4292 2483 8752 1 1 9053 2646 5492 1 4678 4640 1 8334 8637 2772 7544 9041 4575 3560 4972 4366 7027 6000 1 3451 3970 1371 1 4048 1 8748 3418 1 14640 6687 4819 1 2488 1 10185 1 10256 7932 8552 3002 3592 1 12488 9777 6371 7724 6651 1868 2138 3504 1 7858 4702 10483 1 1683 4702 136.0343 *136.0343* 136.0343@1.3917998 1 1 1 1 1 1 1 1 1 1 3202 1 1 3769 1 1 1 1 1 1 1 1 5018 2621 3411 1 6887 3575 6294 1 1 1 1 1 1 2912 1 4714 1 1 1 1 4561 1 1 4504 1 1 1 1 1 1 1 3964 1 1 3871 4213 1 7858 1 1 1 4051 1 1 1 1 1 1 1 2033 7242 1 1 1 1 1 2125 3881 6489 4364 1 1 1 1 1 1 1 1 136.0343 *136.0355* 136.0355@14.691925 1 1 1 1 1 1 1 1 1 1 60216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0355 *136.0365* 136.0365@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0365 *136.0366* 136.0366@1.4106189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 6597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4476 1 1 1 1 1 1 1 1 136.0366 *136.0368* 136.0368@0.9130026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63925 1 81482 1 1 1 1 1 30044 36371 1 1 1 36796 1 1 1 1 1 1 1 1 1 1 1 1 54053 56636 1 1 1 1 1 1 1 1 1 1 1 91533 1 1 1 49192 1 1 1 45911 1 1 1 1 1 41715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0368 *136.0371* 136.0371@1.286857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1673 1 1 1 1 1 1 1 1 136.0371 *136.0378* 136.0378@3.652015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8919 1 1 1 9075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0378 *136.0501* 136.0501@5.2173233 1 1 1 1 2660 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3721 3664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0501 *136.1351* 136.1351@13.476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.1351 *137.0405* 137.0405@0.93105924 1 1 1 9498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0405 *137.9303* 137.9303@0.79434496 1 1 1 1 1 1 2282 2731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1803 1 1 1 1 1 1 1 1 1 1 137.9303 *138.0162* 138.0162@13.506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0162 *138.0309* 138.0309@3.7896116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4485 4266 4456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0309 *138.031* 138.031@0.66848963 1 1 9804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5989 6572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6771 9762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3227 1 138.031 *138.031* 138.031@5.553725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9124 2731681 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48048 1 1 138.031 *138.0311* m-Salicylic acid 2133455 2177398 10727 10315 13689 15737 180794 179169 332543 331876 1708002 1709873 46651 45909 37047 37941 51328 52461 554490 545473 868463 850401 414891 412725 26963 25836 8820 9609 21125 18578 1 1 8017 9096 2922534 177670 16930 16039 148565 152817 301733 300569 14632 14677 526695 534138 12697 12566 16140 15955 12988 11869 38825 38080 7784 7446 351990 357683 259606 260002 15918 17093 92606 90203 232574 234565 280312 275679 274841 281621 3399338 3395013 7096 5948 71697 76599 239574 246810 6524 8528 59167 61305 432449 423969 88577 91170 2576729 94344 8019 7348 138.0311 *138.0311* 138.0311@3.487893 1 1 1 1 1 1 2613 5718 1 1 9290 9677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67280 65726 1 6487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16799 15487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5044 4390 1 1 138.0311 *138.0311* 138.0311@2.1973445 1 1 4022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0311 *138.0311* 138.0311@6.069957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0311 *138.0312* 138.0312@1.189332 1 1 5571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4671 8341 5077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8943 4782 1 1 1 1 1 1 1 1 1 1 1 1 1 3667 4212 1 138.0312 *138.0313* 138.0313@4.6853094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 5502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0313 *138.0314* 138.0314@3.1759343 1 1 2678 1 1 1 5478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6160 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3571 1 3561 1 3034 1 1 1 1 1 1 1 1 1 1 1 1 138.0314 *138.0314* 138.0314@0.7129737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 5673 1 138.0314 *138.0315* 138.0315@8.856126 1 1 1 1 1 1 1 1 1 1 1488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0315 *138.0321* 138.0321@5.439366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418507 1 1 138.0321 *138.0362* 138.0362@0.84329593 1 1 3824 3127 1 1 1 1 1 1 1 1 3437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3496 4948 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 1 138.0362 *138.0408* 138.0408@0.8406561 1 2060 1 1 2953 2968 2576 2457 2622 2851 1 2909 1 2631 2730 2737 2348 2331 1 1 1 1 1 2319 1 1 1 1885 1 2527 1 1 2010 2494 1 1 1 1 1 2281 2512 2806 2597 1 1 2313 2480 1 2410 2586 1 1 2043 1 2743 2758 2206 2470 2262 1 1946 2445 1 1 2976 2455 1 1 1 1 1 1 1 3008 2667 1 2380 2428 1 2284 2182 1 1 1 1 1 2223 3289 1 2685 138.0408 *138.0615* 138.0615@4.55177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 138.0615 *138.1297* 138.1297@5.4347134 1 1 1 1 1 1 1854 2426 5229 5083 1 1 1 1 1 1 1 1 10952 10917 1 1 7381 7211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4744 5151 1 1 10898 10343 1 1 1 1 1 1 1 1 1 1 5424 5725 3050 3956 1 1 1 1 3578 3321 4256 4199 4231 4334 1 1 1 1 1 1 2638 3681 1 1 1 1 7570 7273 1 1 1 1 1 1 138.1297 *138.1686* 138.1686@5.4290047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698 3033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.1686 *139.0262* 6-Hydroxynicotinic acid 6406 6465 6680 6295 6830 7154 6445 6347 5569 6952 6625 6972 5927 5490 6819 6179 6987 5589 4614 5144 5647 5544 4932 5604 6719 6802 4992 5695 5001 5450 7996 6671 8675 8704 7195 7193 7551 7256 7611 7265 6801 8225 6222 5859 6577 6614 5808 7172 7036 7450 7543 8067 6388 6890 7911 7643 7220 7470 7202 6409 7473 7577 7016 7653 8871 8292 7697 6113 8152 8343 7264 7741 7208 7346 9610 8019 6926 6688 6617 7370 6075 6330 7460 7919 5913 6321 7307 7327 7121 6748 C01020 139.0262 *139.034* 139.034@5.561833 2775 1 1 1 1 1 1 1 1 1 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 1 1 1 139.034 *139.0623* C7 H9 N O2 1 1 4267 3768 5621 5149 9725 9856 6155 5556 11087 10768 6158 5824 1 1 2837 2748 7263 7306 8036 8207 9829 10387 1 1 4436 4774 1 1 1 1 3029 3018 1 1 1 1 3561 3619 2897 3286 1 2149 2933 3418 2672 2937 1 1 5493 6164 1 1866 3761 3355 15686 15249 1 1 2736 2375 1 1 5135 5034 4958 4110 8685 8386 2422 2871 3378 2852 25193 25197 1 2187 47955 48530 6351 5663 8607 8959 8937 8004 3064 3443 68922 68348 139.0623 *139.1348* 139.1348@5.4325757 1855 2809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4678 4539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5729 5139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2785 3863 1 1 139.1348 *139.1718* 139.1718@5.4383903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2704 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.1718 *139.9489* 139.9489@13.476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.9489 *140.0355* 140.0355@5.476723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0355 *140.1204* 140.1204@13.476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.1204 *140.1619* 140.1619@13.477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.1619 *142.0304* 142.0304@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0304 *142.0779* 142.0779@8.393749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3468 3344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0779 *143.03* 143.03@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.03 *143.0727* 143.0727@3.6484952 1 1 2227 2276 1 1 1 1 1 1 1 2206 1 1 2275 2617 1 1 1 2215 1 1 2113 1 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1798 1 2105 1 2171 2532 1 1 2365 1 2475 2911 1 1 1 1 2394 2652 1 1 1992 2221 3039 3144 1 1 1 1 1 1 1 1971 2385 2420 2075 2058 1 1 2210 2909 2050 2067 2094 2165 2751 2524 1 1 2404 2288 1 1 143.0727 *143.0728* 143.0728@4.0808034 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 6684 6883 1 1 8038 9318 1 1 1 1 1 1 1 1 2170 2073 1 1 4266 3621 1 1 5823 5922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2054 1 1 1 1 1 2506 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0728 *143.9731* C4 H Cl N2 O2 1 14846 1 17449 1 18580 1 18860 1 19644 1 17373 18587 19017 1 1 19192 19761 19829 1 1 1 20619 1 18100 19239 1 19129 1 17707 20543 21049 1 21325 19021 19959 1 18700 20112 1 1 1 20334 1 20048 20691 1 21052 1 21983 1 22295 1 1 1 21198 23585 23047 1 20982 19286 18994 18210 1 1 22227 21461 22662 21049 1 21415 1 21591 20952 22244 1 23004 22145 1 1 1 1 1 1 22124 22313 22336 22153 1 1 143.9731 *144.009* 144.009@0.9303198 1 1 1 1 1 1 1 1 1 1 3504 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 144.009 *144.038* 144.038@0.85898477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.038 *144.0409* 144.0409@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0409 *144.0424* 144.0424@0.88699216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0424 *144.0569* 144.0569@7.789586 1 1 1 1 1 1 1 1 1 1 5718 5570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4747 4521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0569 *144.0586* 144.0586@3.7373352 4156 4813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1 2855 1 1 1 1 2995 2993 1 1 2600 2454 1 1 1 1 1 1 2097 1 2445 2291 1 1 1 1 1 1 1 1 1 1 1 1 2188 2347 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 2491 2923 3156 1 2062 2205 1 1 1 1 1 1 1 144.0586 *144.0774* 144.0774@3.84197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0774 *144.0872* 144.0872@0.9520352 1 1 1 1 1 1 1 1 1 1 5389 1 1 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0872 *144.089* Adipamide 23755 23523 22158 20717 4941 21617 15412 16507 19723 19084 8184 20497 18245 3099 21157 20066 20161 19536 17483 4874 22535 21291 20859 22019 22254 21123 21370 4856 19471 13020 21494 21900 17552 20905 21868 21463 25467 24423 25059 22962 24484 25019 11606 24989 23564 24313 20384 21539 22075 22680 23509 23008 4696 20769 20749 19952 21089 21591 6031 23957 30691 30798 36767 38407 6604 24742 8340 25453 22753 21869 23583 6237 24726 25722 22949 25163 24103 23841 27195 6469 21000 21050 26427 27278 20869 23856 6268 23462 27796 27249 144.089 *145.0191* 145.0191@5.392931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0191 *145.0371* 2-Keto-glutaramic acid 3885 3925 5287 5565 2919 3259 10821 10778 5307 5198 3749 4382 3235 3318 3413 3532 5694 5512 5121 4869 2858 2643 3798 3858 3131 3365 3848 4049 4096 3686 4068 4186 6669 6413 3043 3340 2983 2948 3142 3085 3474 4301 1 2594 4676 4209 4877 4971 4391 4088 4770 4455 2718 2909 4241 4160 6556 6263 2979 2582 3434 3316 3333 3900 7580 7785 4262 3803 2885 3257 3226 3038 1 2561 1 1 1 2187 8775 9119 4895 5416 5002 5514 6150 6017 4814 5292 3659 3157 HMDB01552 C00940 145.0371 *145.0504* 145.0504@5.777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0504 *145.052* Isoquinoline N-oxide 12202 12639 12730 12222 6832 6399 16516 17079 9498 8855 24072 23714 5958 6558 9052 9167 6372 6506 19163 18677 11098 10377 18033 17971 10320 11364 11202 10745 13646 11266 14278 14543 10510 10013 9139 9973 8667 9126 5974 6118 13278 13773 7950 8847 7229 7888 9816 9277 9550 9129 15429 16187 12703 12640 10255 11403 14594 14739 16578 17508 15789 17475 8992 8305 10359 10334 14225 13067 13613 13089 13939 13834 11877 11593 6625 6192 13668 13083 15074 14060 14003 14226 14362 14627 15485 15521 20631 21183 8377 9051 145.052 *145.0534* 145.0534@3.143401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9042 1 1 1 1 1 1 1 1 1 1 145.0534 *145.0726* 145.0726@2.8174448 1 1 1 1 1 1 4653 4304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 1 1 1 1 1 1 1 3952 3770 1830 1 1 1 2737 2602 1 1 1 1 145.0726 *145.9887* 145.9887@0.7825172 5995 1 1 5944 1 1 1 1 1 1 1 6234 1 1 1 1 6106 1 1 1 1 1 1 1 1 6233 1 1 1 1 1 6590 1 1 1 1 6170 1 7276 1 1 1 6427 1 1 6341 1 1 6574 1 1 1 1 6398 1 1 1 1 1 1 5822 5976 5331 5589 1 6924 1 1 6583 1 1 1 1 1 1 1 1 7070 6931 6719 1 6140 6839 5741 6693 1 1 1 6056 1 145.9887 *146.0224* 2-Ketoglutaric Acid 1 1 1 1 1 1 1 1 1 1 2160 1 9110 1 1 1 1 1 1 1 10788 1 1 1 15660 13408 10452 11586 12157 6508 14963 14393 13460 13000 10431 1 11709 11462 11995 13778 11078 11050 11354 11381 12798 1 11405 13047 1 6650 13298 1 9112 9247 13563 13771 1 1 8832 7824 1 1 8769 8282 1 1 9381 9334 6483 7167 13252 9561 12729 13140 1 11041 1 13418 1 1 1 14363 14370 15719 1 1 1 1 18820 16233 C00026 146.0224 *146.0224* 146.0224@2.866711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2064 1 146.0224 *146.0232* C5 H6 O5 8321 8653 7107 7518 9892 9594 1 1 6344 7147 2346 8720 9745 8433 9213 8974 7153 7705 7713 9685 1 1 7675 6835 3489 2711 8200 1 1 3988 3694 3192 1 1 1 9682 1 1 1 1 1 1 13017 1 1 11607 1 1 6983 1 1 1 10239 1 1 1 1 8256 1 12770 7744 7618 1 10475 8468 8182 1 1 1 1 1 5348 1 1 12273 1 10828 1 15656 15881 13721 1 1 1 7471 7757 9500 6805 3393 1 146.0232 *146.0309* 146.0309@1.0820707 1 1 1 1 1 1 6803 7359 1 1 3219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0309 *146.0522* 146.0522@13.487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0522 *146.0568* 146.0568@3.6456134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 3063 3295 2841 2761 2870 1 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2214 2247 146.0568 *146.0574* 2,2-Dimethylsuccinic acid 4662 4494 2391 2664 5175 5028 6970 7824 1 2182 2984 3324 14434 14453 4141 4013 7318 6671 3370 3268 8076 7677 3392 3213 5260 5405 2532 2419 4021 3317 3254 3080 5905 5126 2478 2611 6919 6439 19995 20259 7330 7559 2894 2990 8489 9324 6658 6129 2798 3134 10599 10341 2656 2817 4474 4309 3808 3601 4991 5088 3175 3515 1 1 2411 2420 1 2521 4224 4092 5715 5906 6729 7028 6094 5492 4387 4007 6159 5732 2676 2990 4629 4713 5430 5499 3219 3368 65783 63174 HMDB02074 146.0574 *146.0681* B-ureidoisobutyric acid 178903 175309 162519 163058 161108 142519 163103 163768 174096 172740 183668 165099 167185 173934 173820 156015 176268 167436 137014 135364 149520 148568 196441 198104 156026 135567 143239 137448 201717 196043 201700 204920 199422 198196 175259 178015 185173 180573 170312 152137 200105 199617 148714 151177 145307 142238 192415 195580 201791 203053 169974 166307 140640 160061 184156 180553 187589 164491 179076 177271 184877 186680 147173 148157 195930 189041 177565 195657 179983 178341 210791 213375 176593 179045 168639 159121 156194 134772 178080 177675 214247 212401 143618 140114 175532 195924 189177 189030 168622 166433 146.0681 *146.0684* 146.0684@4.3332267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 19372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0684 *146.0685* B-ureidoisobutyric acid - 4.3210588 6588 6809 4208 4142 9593 9784 16648 17137 5086 5853 9269 8760 5498 5821 4626 5057 10332 9513 6332 6364 4471 4358 2819 2642 16062 15507 5928 6126 5060 3379 3417 3683 14752 14169 5140 5051 7199 6761 6820 7149 2315 2480 4270 4211 11187 10417 1 1 2672 3121 12760 12671 1 2023 3930 4083 6030 6590 1 1 2199 1 1 1 1 18947 14967 15645 2369 2282 5805 5591 4908 5356 1 1 7503 6465 8568 8871 8059 8861 1 2542 6707 6269 13387 12545 2540 2608 146.0685 *146.0699* 146.0699@0.96950126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0699 *146.0934* 146.0934@0.97293824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2923 1 1 1 1 1 1 146.0934 *146.1007* 146.1007@0.8259649 1 31410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.1007 *146.1012* 146.1012@0.8710764 30990 2961 1 1 1 1 1 19873 1 27379 1 30824 29121 1 1 1 1 1 1 1 1 21391 1 1 1 1 1 30076 1 1 1 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29061 1 1 28022 1 1 1 1 2828 2570 1 1 1 24314 1 1 31901 1 1 1830 2583 1 1 1 1 1 1 1 1 1 1 2513 24508 24781 1 1 146.1012 *146.1033* C6 H14 N2 O2 1 1 26720 29602 25700 24505 19601 1 30112 1 35569 1 1 29938 32844 34455 25684 22799 29835 31218 22607 1 24636 23658 28288 30621 33230 1 27614 21080 26908 23584 21629 23894 29472 21794 24624 27190 26698 24015 25410 24674 41639 40062 26019 25706 21918 20194 25491 25320 20641 21213 21412 29714 1 29576 30319 1 21029 20133 32676 28315 1 20833 35159 36595 25124 1 25819 30545 1 34874 32225 35397 32796 31142 36459 36797 30637 36023 36456 35379 31742 39236 33128 32234 1 1 22727 22068 146.1033 *146.1687* 146.1687@0.8660112 1317 1968 2231 1324 1331 1 1 1 2095 2028 1696 1731 1801 1 2004 1 1674 1 1090 1959 1 1 1 1 1 1 1641 1313 1971 1787 2805 1 2393 2267 1845 1757 2276 2289 1548 1 1774 1 1193 1 1696 1583 2527 1 2989 2146 1729 1790 1 1 1968 1 1994 1371 1549 1 1 2318 1 1 1642 1 1011 1 1 1 1564 1 1010 1 1431 1091 1 1 1 1558 1781 1203 1 1 1 1556 1911 1656 1 1 146.1687 *147.0048* 147.0048@0.8672168 2062 1 1 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 1 1 2291 1 1 1 2396 1 1834 1 1 1 1 1 1 1 1 1961 1 2000 2774 1 1 1 1728 1 1987 1 1 1 1 2420 1 1 2499 1 1 2202 2024 1 1 1 1 2141 2224 1 1 1 1 1916 1 1 1 2481 2053 1 1 1 1 1788 1 1 1 1 2140 1 1 1 1 1 1 2143 1 147.0048 *147.0523* 147.0523@1.0419892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0523 *147.0525* Glutamate 1 3313 4962 4832 2825 2488 12429 13196 4409 4935 2787 6245 1 1 4406 3680 4655 4964 4207 4468 1 3153 3286 3131 1 1 3829 3853 2626 1 4678 5219 5967 4478 4174 4377 5061 3405 4274 4099 4250 4310 1 1 9978 7286 5243 5108 3472 4531 6298 6806 3098 3034 4336 4363 8558 7639 4177 3471 5669 4914 4909 4809 4893 4162 6987 6785 3456 1 4457 4159 4221 3681 4639 3777 3755 1 17253 18780 7055 6607 7591 5904 8011 7742 6247 7510 4714 4093 147.0525 *147.0613* 147.0613@0.8803167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16107 1 1 1 1 1 16487 18986 17021 1 1 1 1 1 1 1 1 1 1 1 16163 1 1 20699 24845 23343 20843 1 1 1 1 15421 23468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17824 1 1 1 28215 29232 1 1 1 15423 1 15676 21108 21528 1 1 1 15356 1 1 1 1 21633 16649 147.0613 *147.0637* 147.0637@0.8733439 1 1 1 1 1 15370 1 1 1 1 1 14270 1 1 1 12931 1 1 18584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16294 1 1 1 1 1 147.0637 *147.0783* 147.0783@0.93548745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5300 1 2656 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 147.0783 *147.0831* 147.0831@0.935863 1 5423 1 1 1 5758 1 1 1 1 1 1 1 1 1 7358 1 1 1 7134 1 1 1 1 1 1 3476 4128 6976 1 1 1 1 1 1 2681 1 5917 1 1 1 1 1 4994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5215 1 1 1 1 7036 1 8155 1 1 1 1 8694 1 1 1 5488 1 1 1 1 1 1 1432 1 147.0831 *147.0844* C5 H13 N3 S 3188 1 9673 9527 5032 1 8812 8207 11028 9773 7808 5773 11239 9337 11821 1 6446 1 4347 1 6416 1 7614 6485 8282 7232 1 1 1 9752 11226 8111 8079 8292 1 1 3840 1 4172 4077 6455 6326 1 1 1 1 3798 1 1 8218 1 1 1 7167 4318 5526 8010 7016 12685 7566 7378 7809 5199 4862 3951 1 7953 6593 6601 7615 1 6815 1 6668 6768 6856 6849 1 7217 6456 4894 1 12129 11978 5720 4931 5767 5507 1 1 147.0844 *147.0892* C6 H13 N O3 5513 5986 3997 3860 3943 4046 4875 5204 4242 4265 3924 3858 3797 3580 4692 4807 3861 4512 4450 4510 3047 3345 2888 2880 4605 4677 6079 6714 3357 3471 2723 2788 4588 4343 3123 3474 4403 4826 5158 5090 4949 4328 4173 4285 4206 4257 3824 3901 3289 3994 3244 3137 3276 3436 3650 3838 5553 6445 2908 3125 4517 4378 3308 3391 6902 6952 4871 5061 3972 3918 4107 3724 3994 3649 4636 5114 4665 4671 7249 7256 5044 4793 5652 5751 5104 5364 3685 3663 2941 2785 147.0892 *147.9684* C3 H Cl N2 O3 10339 9783 12155 12067 11454 12647 10874 13451 12002 11826 12126 10971 12383 11793 12745 12924 12015 10648 12093 12120 10861 11094 10685 11023 10749 9708 10385 10570 9027 9364 12267 12261 12297 10942 9995 10913 10327 10727 10438 9779 10025 10709 11360 9341 10273 9927 10252 10621 10574 10128 11294 11413 10162 9320 10722 10331 11660 11466 10354 10337 9086 9390 9296 8834 11434 11097 10341 11099 11418 10298 9574 10858 9593 9339 10103 10185 10155 10650 10255 10780 9060 9305 9415 9059 9840 9682 10390 10175 10105 10917 147.9684 *148.0359* 148.0359@1.7860365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 1 4711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0359 *148.0368* (S)-2-Hydroxyglutarate 5941 6983 6110 4697 1 7040 8002 5987 6151 7452 4783 7633 7314 1 6797 4488 8229 5829 8583 7013 6321 5234 5025 5488 5929 4849 5114 5175 5140 3445 6947 7015 8614 12031 10786 5221 6984 8208 9872 6398 6731 8677 7460 5562 6695 5671 7428 8010 1 9711 10448 7994 4424 2743 1 8360 6893 8872 6483 4549 9101 8262 5526 7294 6460 4900 5351 6584 5288 4256 7982 8148 9122 8427 5515 7400 8084 7797 12731 10734 11103 11114 6156 8965 3458 8861 1 10624 7795 7859 C03196 148.0368 *148.0369* 148.0369@1.2519019 8467 9506 1 1 1 1 9458 1 1 1 1 1 1 1 9680 9092 1 1 1 1 1 1 1 1 1 1 1 8432 1 1 1 1 1 1 1 1 11219 11866 11103 11283 1 1 9804 1 8918 1 1 9659 1 1 1 1 1 9419 1 10778 1 1 1 1 1 1 1 1 10054 1 1 9641 1 8729 1 1 11257 1 1 1 1 11555 10634 1 1 1 1 1 1 1 1 1 1 1 148.0369 *148.0382* 148.0382@0.92581266 1 1 1 1 1 1 3250 4506 2894 1 1 1 7919 1 1 1 1 3786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3150 1 1 2609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4222 1 1 1 1 1 1 1 1 1 1 1 1 1 3742 1 1 3091 1 1 3409 1 1 1 1 148.0382 *148.0426* 148.0426@0.926996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0426 *148.0521* p-HYDROXYCINNAMALDEHYDE 12385 12207 13229 12523 12305 12662 8688 7844 12368 11783 11955 11022 9605 10245 13539 14196 11310 10646 10928 11100 9710 10891 9295 9247 10092 10311 13130 12864 10605 11715 10534 11296 10072 10873 11524 11433 12950 12197 11045 11823 10709 10167 14449 13932 12315 11970 11048 11071 14317 14464 10149 10657 10426 11201 14388 12820 14010 14127 16549 15860 20038 19605 9479 9321 11332 11724 11537 12441 11193 12316 14037 14203 11963 11393 11139 11341 13761 14224 13834 14366 16159 15659 19955 20800 12833 12217 16022 16014 10773 10904 C05608 148.0521 *148.0725* 148.0725@3.308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0725 *148.0731* 148.0731@3.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0731 *148.0734* 148.0734@3.644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0734 *149.0328* 149.0328@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0328 *149.0503* Methionine 3283 3888 4587 4799 3680 3388 3756 4309 6704 6481 5078 4739 5231 5565 7543 6292 4559 4534 6130 4842 4120 3256 5104 6512 4662 4916 5884 5203 5251 4817 6777 6216 4766 5338 4244 4350 5465 6389 4477 3621 5381 5333 5949 5564 3997 4764 3990 3814 6095 6377 6328 6918 6926 5899 7318 7074 6543 5320 7101 7057 9838 8822 3969 3935 6301 6590 6280 6174 6041 6002 8723 8439 6501 5507 6336 4776 5942 6150 5914 5664 7048 7219 7455 8298 4654 6610 4875 5795 7271 6378 C00073 149.0503 *149.0503* 149.0503@1.4447922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4641 4173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3342 5301 6071 6667 1 1 4816 1 1 1 1 1 6545 6461 1 1 1 3675 1 1 1 4659 5495 4295 5876 4936 1 1 1 1 4328 1 149.0503 *149.9575* 149.9575@0.8117784 3720 3698 4422 4846 5802 4220 7793 5324 6899 6824 3062 3058 4857 6600 6279 4326 6321 4836 6216 4564 3025 3102 4089 4205 4094 5957 3708 3522 5339 3242 3521 3524 5528 5419 4010 5527 5573 4153 3941 4165 4168 6288 6082 3958 3964 4021 4801 6735 7351 6894 4537 3545 6839 7139 6202 4251 6215 6686 4304 4289 3371 3176 2565 3727 3259 3284 5723 5690 6731 5695 6132 3490 5871 5424 5867 5701 5215 4863 4207 6000 5003 6778 5452 3733 5977 6375 4546 4681 4295 5450 149.9575 *149.9596* 149.9596@1.8472784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18103 17480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.9596 *150.0384* 150.0384@14.895086 1 1 1 1 1 1 1 1 1 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0384 *150.0394* 150.0394@14.73315 1 1 1 1 1 1 1 1 1 1 4580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0394 *150.0413* 150.0413@14.778571 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0413 *150.0449* 150.0449@0.90298957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0449 *150.0496* 150.0496@2.2793198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3340 1 1 4012 4326 1 1 1 1 1 1 1 1 6741 6227 150.0496 *150.0505* 150.0505@0.8697 1 1 7059 1 1 1 1 1 1 1 1 1 1 1 1 1 6890 1 1 1 1 1 1 1 1 11242 1 13387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 1 1 1 1 1 1 8674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0505 *150.0518* 150.0518@1.1768407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2584 2357 1 1 150.0518 *150.0522* Ribulose 30387 27697 3566 27812 1 39089 1 1 51412 1 26935 30083 24364 19983 29334 30738 8336 1 1 40110 15624 17049 1 49562 14828 20199 23286 24858 23302 14576 39489 5347 40904 1 33160 1 21380 27735 26356 27312 41038 38886 18324 17276 29331 31776 41590 40715 40533 41547 30664 30673 18691 20559 24862 26079 30343 37047 21961 20938 23299 25340 15222 20825 35980 34962 29609 29497 21694 15528 22145 18445 25803 1 21909 27562 28099 21780 69825 62462 1 1 26813 23804 1 62840 52822 59640 20924 26405 150.0522 *150.0525* Arabinose 1 1 24401 1 35199 14328 105010 104639 8172 52142 9440 11476 1 1 1 1 42146 41770 34527 1 10751 1 47537 1 1 6780 1 9619 1 8429 1 32705 1 42160 4821 30830 1 1 1 1 1 1 24248 24930 1 15284 1 6538 1 1 1 1 1 1 1 5569 1 1 1 1 12093 15467 1 25723 1 1 17051 1 1 1 1 1 1 25215 1 1 1 1 21943 17974 34321 33543 1 1 61680 7035 3549 1 1 1 150.0525 *150.0644* 150.0644@6.847469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0644 *150.0665* 150.0665@6.838375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3981 3320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0665 *150.1037* 150.1037@6.599649 1 1 1 1 1 1 1 1 3670 3974 1 1 1 1 1 1 1 1 1 1 1 1 7350 6898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3688 3983 1 1 1 1 1 1 1 1 1 1 4185 4209 1 1 1 1 1 1 1 1 1 1 1 1 5562 6373 1 1 1 1 1 1 1 1 6698 6495 3756 3680 4905 4185 1 1 1 1 150.1037 *151.001* 151.001@14.785412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.001 *151.0011* 151.0011@14.604187 1 1 1 1 1 1 3633 1 1 1 29966 1 1 1 1 3410 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 3088 1 1 1 1 1 1 1 1 1 1 1 3261 1 1 1 4095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0011 *151.0011* 151.0011@14.774575 1 1 1 1 1 1 1 1 1 1 13761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0011 *151.0012* 151.0012@14.374525 1 1 1 1 1 1 1 1 1 1 38696 1 1 1 1 4152 1 1 1 1 1 1 1 1 1 1 3264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0012 *151.0013* 151.0013@14.118967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0013 *151.0015* 151.0015@14.065147 1 1 1 1 1 1 3421 1 1 1 16364 1 1 1 1 4011 1 1 1 1 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 4093 1 1 1 1 1 1 1 1 1 1 10538 1 1 1 1 1 1 1 1 1 1 1 5843 1 1 1 5502 1 1 1 1 1 1 1 1 1 1 1 1 3539 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0015 *151.0036* 151.0036@7.0602775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17053 1 1 4189 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0036 *151.0079* 151.0079@7.0341644 1 1 1 1 1 1 1 1 29891 30300 21766 22753 6495 5096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55388 54012 1 1 1 1 1 1 9196 9653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41357 39602 14474 14428 1 1 1 1 69855 63607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0079 *151.0433* 151.0433@5.4538765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3285 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0433 *151.0621* 151.0621@4.4303555 1 1 1 1 1 1 2567 1 1 1 3868 3980 1 1 1 1 1 1 1 1 1 1 1 1 5550 5520 1 1 1 1 1 1 1 1 3043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016 3974 1 1 1 1 1 1 3230 3385 1 1 1 1 1 1 1 1 3859 3935 1 1 151.0621 *151.0624* 2-Ethylisonicotinic acid 3430 68856 1 1 1 1 4512 5171 11001 10242 5985 60373 1 1 1 1 1 1 19184 19090 14297 13581 11838 11248 1 1 1 1 1 1 1 1 1 1 83462 82718 1 1 4655 4691 9570 8936 1 1 7617 8945 1 1 1 1 1 1 1 1 1 1 12530 13476 1 2239 1 1 1971 1 8055 7096 5179 6136 4255 4273 33074 31934 1 1 1 1 6966 6512 1 1 1 1 7761 7445 4291 3641 125601 124857 1 1 151.0624 *151.0627* 151.0627@3.560676 3463 3188 1 1 1 1 13357 13496 1 1 1 1 4011 4357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6620 6689 2151 1 1 1 1 1 1 1 1 1 11883 12785 1 1 1 1 1 1 2167 2403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14176 14082 151.0627 *151.0628* 151.0628@2.8674529 1 1 1 1 1 1 9343 10692 1 1 1 1 2503 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 5698 151.0628 *151.0629* 151.0629@3.151549 23639 24929 1 1 1 1 100756 100691 1 1 1 1 31093 30708 1 1 1 1 1 1 1 1 1 1 1 1 3149 3252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33717 34993 1 1 1 1 1 1 1 1 1 1 44122 44068 1 1 1 1 1 1 16345 17053 1 1 1 1 1 1 1 1 1 1 1 1 19865 20092 1 1 1 1 1 1 49845 50365 151.0629 *151.063* 151.063@4.932637 65509 1 1 1 1 1 1 1 1 1 51686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.063 *151.893* 151.893@0.84993327 19447 18782 23195 24546 23268 24202 24849 24530 25523 26705 18025 18211 25273 25380 24329 25660 27548 26480 24679 24642 22812 22307 24642 25382 23233 24917 23812 23423 23671 23165 23532 23195 23617 23921 23848 21869 24961 23867 23290 24351 25549 25042 23813 24561 26972 26927 26136 24565 26009 26245 26566 26342 28406 27974 26586 26551 27185 26752 25295 25101 23128 23878 22895 23419 26181 26778 25548 25363 30628 29493 23307 23855 26278 25021 27503 26704 24703 25038 25346 27032 28274 29140 25583 25494 26228 25850 26726 25913 26813 26002 151.893 *151.9536* 151.9536@0.81265235 1 1 1 1926 1 1 1 2231 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1 1 1666 1 2148 1 1 1 1 1 2002 1 1 1 151.9536 *152.0056* 152.0056@14.068433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0056 *152.0141* C7 H5 Cl N2 4950 5154 3232 3363 6566 6128 9382 9750 4453 4073 1 1 1 1 1 1 10353 10785 2893 3071 1 1 1 1 1 2922 1 1 2431 1 4184 4199 1 1 1 1 1 1 3103 1 5407 5371 2976 2808 1 1 1 1 1 1 5124 5227 1 1 1 1 4888 4711 1 1 1 1 1 1 4027 4242 4973 4787 1 1 5227 5641 1 1 3167 1 3364 3230 6477 6451 1 2868 3630 3511 18693 19496 4469 4087 2467 2590 152.0141 *152.0327* Oxipurinol - 1.6762943 1 1 11072 11186 4638 1 1 1 1 1 4803 10686 9280 1 8806 1 1 9486 1 11996 12437 11865 11308 9978 1 11533 8074 3625 6078 3279 7947 7750 5151 6335 1 9945 14040 14824 13930 14597 8978 10957 17650 1 3050 16265 9365 1 11914 7972 19046 23250 13935 5760 16167 14184 10367 10445 11217 12589 15032 14358 10536 8090 13441 3991 20535 1 12263 7815 45270 45398 4631 4246 6815 8621 19285 18203 20294 21042 32257 29819 24125 20042 22235 21619 12685 13319 20600 15184 C07599 152.0327 *152.0329* 152.0329@1.5708901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4108 1 1 1 1 1 1 1 1 2238 1 1 1 1 4263 1 1812 4585 1 1 1 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0329 *152.033* Oxipurinol 8389 10328 2420 1 1 3950 1 1 7563 9030 3993 4140 1 9933 4827 9021 8187 1 13029 4177 6062 5895 1 1 6768 1 6702 1 1 1748 1 1 1 1 6760 1 5655 4612 6470 5731 1 1 7131 19461 17019 8191 1 8681 1 1 8648 1 1 13855 7569 8426 8113 7477 2085 4224 4702 3221 2487 5195 4287 9373 1 19587 1 3934 13480 12275 11413 9833 6983 5877 5621 7248 10525 10162 9986 10758 7815 11834 6221 8224 2461 4621 6207 9788 C07599 152.033 *152.0461* 152.0461@6.7676764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5648 5272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6308 6307 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 2914 1 1 152.0461 *152.0465* 152.0465@4.7148676 1 1 1 1 1 1 2997 3098 1 1 1 1 12287 12588 1 1 1 1 11391 10877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15825 14945 1 1 1 1 4440 4151 5020 5212 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17499 18329 1 1 7020 7427 1 1 1 1 152.0465 *152.0466* 152.0466@4.274959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 3443 1 1 1 1 1 1 1 1 1 1 152.0466 *152.0474* 152.0474@8.286884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511302 499871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0474 *152.0474* 152.0474@3.6420078 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0474 *152.1193* 152.1193@7.703454 4735 4963 1 1 1 1 1 1 1 1 3286 3399 1 1 1 1 1 1 11997 12295 3035 3348 10837 10209 1 1 1 1 3596 4001 1 1 5939 5378 1 1 1 1 1 1 1 1 1 1 8494 8699 4513 4101 1 1 1 1 1 1 1 1 2486 2630 2045 1 1 1 1 1 1 1 1 1 1 1 5244 5074 1 1 1 1 1 1 6099 5201 1 1 2695 2773 1 1 1 1 1 1 152.1193 *152.1365* 152.1365@13.474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1365 *152.1509* 152.1509@8.285886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10287 8693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1509 *152.1916* 152.1916@8.286385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1916 *152.9736* 152.9736@4.0593204 1 1 1 1 1 1 1 1 3160 3434 2659 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3060 2585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.9736 *153.0341* 153.0341@5.451379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8991 8945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0341 *153.0778* 153.0778@2.502623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6030 6994 1 1 1 1 1 1 1 1 1 1 153.0778 *153.89* 153.89@0.85045683 19042 17740 22669 22097 1 1 1 23878 1 1 18080 18184 24328 25782 24269 1 25513 26238 1 1 1 22961 24020 23064 23642 23595 23458 23810 21977 15163 23254 23251 1 23216 22852 23673 23747 23471 1 1 24442 1 23485 24221 27579 26077 24072 23463 27141 1 25385 25807 1 27897 25476 25520 1 1 23022 24617 22137 22694 22444 22881 26069 26254 24620 25609 1 1 1 24476 24981 24506 25594 25768 25142 25477 1 25481 26932 27242 25019 24598 26106 25297 25354 1 26361 25596 153.89 *153.8902* 153.8902@0.84817064 1 1 1 1 23917 22560 24497 1 25652 25540 1 1 1 1 1 23931 1 1 24869 24055 22555 1 1 1 1 1 1 1 1 6982 1 1 23369 1 1 1 1 1 22950 23209 1 24242 1 1 1 1 1 1 1 26631 1 1 27038 1 1 1 25046 25358 1 1 1 1 1 1 1 1 1 1 27749 28981 22081 1 1 1 1 1 1 1 26264 1 1 1 1 1 1 1 1 26125 1 1 153.8902 *154.0257* 154.0257@4.4429445 1 1 1 1 1 1 1 1 1 1 3343 1 1 1 1 1 3193 2838 1 1 1 1 1 1 1 1 8338 1 1 6136 1 1 1 1 1 1 1 1 1 1 1 1 1 6949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21932 21445 1 1 1 1 1 20241 1 1 1 7183 1 36779 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 154.0257 *154.0258* 2,3-Dihydroxybenzoic acid 20898 21848 20887 20437 37614 36181 147908 148699 17002 17366 29050 32460 27105 28008 38076 35596 12225 12668 31418 30619 30868 32896 46344 46593 14895 14945 29690 38035 18506 12235 32213 30969 55602 56132 109153 111297 23460 21721 29170 29552 63592 61988 6679 1 146262 141124 90802 92455 64988 67449 58799 57672 32981 33354 25425 26929 28825 28170 28425 28723 22695 23165 1 1 112664 109769 35983 33489 19662 1 87997 89043 7465 1 36994 1 12599 9862 145070 145909 48906 50230 91804 89515 92709 89944 55671 57397 35232 34183 C00196 154.0258 *154.026* 154.026@3.6750438 1 1 1 2181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11156 10552 1 1 1 1 1 1 1 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2786 3258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.026 *154.0263* 154.0263@4.04607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 3599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0263 *154.0337* 154.0337@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0337 *154.0375* 154.0375@1.2310917 1734 1 1 1 1 1 6079 5104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2872 3167 1 1 1 1 1895 1 1817 1 1 1 154.0375 *154.0719* C7 H10 N2 O2 7721 7386 9208 8433 8776 8524 7356 7185 8900 8562 8566 8139 8308 8240 9126 8823 8568 8921 7875 8128 7260 7589 8131 8369 8371 7833 8348 9286 7680 8563 8139 9034 8586 8476 9078 9441 8394 8049 8402 8742 8816 8719 8569 8919 8989 8539 8598 7950 8935 8601 9459 8991 8966 8151 8992 9242 9060 9481 8207 8469 11176 10340 9566 9899 8764 9538 9560 9151 9018 9417 10307 9214 9561 10075 10274 10287 9429 10351 9400 10657 9479 8965 10805 10150 9079 9239 10353 10296 8450 8248 154.0719 *155.0121* 155.0121@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0121 *155.0691* 155.0691@1.2673533 1 1 1 1 1 1 4660 5002 1 1 1 1 1 1 1 1 1 1 1 1 3176 2990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3190 3463 1 1 1 1 155.0691 *155.0694* Histidine 82723 83176 78924 80312 97302 96221 91727 92796 108797 109789 93045 90722 98363 98352 107994 112615 97977 96981 89295 88623 69409 71436 89294 90889 82851 81512 85172 85233 103709 104320 88751 88791 106557 105123 92790 90428 102082 101691 93600 95370 99722 99237 111405 112371 98772 95669 101804 104602 113741 113249 89103 88322 95698 95598 125324 127770 111321 114079 109418 110553 113156 113665 76454 76760 137440 137046 94664 94523 102545 103936 102585 102617 102787 103896 94816 96952 100043 100750 96353 97810 94324 94475 90462 89397 95676 94167 109290 108906 91714 89090 HMDB00177 C00135 155.0694 *155.1735* 155.1735@0.84294885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 2000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1735 *155.8896* 155.8896@0.85893947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6439 1 1 1 1 1 1 1 1 1 1 155.8896 *155.8957* 155.8957@0.8499064 8458 8364 7485 10168 1 1 5557 8936 10074 9786 1 1 8992 1 1 1 1 11466 9086 8857 1 9439 9420 9492 1 10858 9952 1 1 9160 10628 9378 10114 1 1 10420 10151 10434 10093 9363 1 1 10440 6993 1 10919 8012 10629 11227 10935 9010 1 1 5823 1 11140 1 9590 5126 11853 1 9951 10061 10054 10862 11248 1 1 1 12262 1 8008 10941 9115 11604 10089 10580 1 6462 1 9068 12444 11206 11447 6003 10503 1 12584 11690 10172 155.8957 *155.8985* 155.8985@0.8442135 1 1 1 1 1 1 1 1 1 1 1 6209 1 1 1 1 12029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11234 11342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.8985 *155.9096* 155.9096@0.8259856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9096 *155.9139* 155.9139@0.81899244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9139 *155.9167* 155.9167@0.82054275 1 1 1 1 1 1 1 1 1 1 1 1 3625 1 1 1 1 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 3603 1 1 1 1 1 1 1 3229 1 1 1 1 1 1 1 1 1 1 3712 1 1 4625 1 1 1 1 1 1 1 2694 1 1 1 1 1 1 3850 1 1 1 1 1 1 4648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9167 *155.9207* 155.9207@0.8225719 1 1 1 1 1 4155 1 1 1 4597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4092 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 5072 5196 1 1 1 1 1 1 5918 6895 1 1 1 3192 5377 1 1 1 1 1 155.9207 *155.923* 155.923@0.83749264 1 1 1 1 1 1 1 4796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4185 1 1 1 1 1 1 1 1 1 1 1 4324 1 1 1 1 3736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4163 1 1 1 1 155.923 *155.9276* 155.9276@0.87460595 1 1 2255 2217 2852 3207 1 5197 3824 2964 2090 1 3246 3862 3015 2871 3244 3472 3410 1 3609 3921 2348 2427 2810 2933 3426 3480 1941 1572 3801 3245 2441 2468 2973 3086 2933 2320 3183 4258 2182 1612 3136 4970 1944 1 3894 3421 2903 2409 1 1 3581 4218 1 1 2666 3654 2329 3063 2395 1 1 2083 3658 2893 3006 3368 3063 2590 4944 4507 2785 2733 4255 3971 3236 1 5794 5827 2096 1612 1 2582 5155 5175 3572 4683 4065 4126 155.9276 *155.9316* 155.9316@0.8959347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1303 1 1 1 1 1 1 1 155.9316 *155.9802* 155.9802@4.8516655 1 1 1 1 1 1 1 1 1 1 1 4044 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9802 *155.9807* 155.9807@3.1853845 1 6930 5034 4926 5473 4038 2312 2679 3417 3405 2991 3334 3276 2857 2706 2189 2925 2917 1 3276 1 1247 1796 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9807 *155.9807* 155.9807@2.2736514 9895 1 8211 7201 1 1 1 1 1 5806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9807 *155.9808* 155.9808@3.1321642 1 3566 3538 3501 2580 3227 1808 5029 2264 2510 1 2801 1 2682 2114 1848 1 1757 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9808 *155.9808* 155.9808@5.32774 8191 5065 1 1 1 1 1 1 1 1 4914 1 1 1 1 1 1 1 1791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9808 *155.9808* 155.9808@1.7788763 1 6700 9791 8121 3802 3463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9808 *155.9809* 155.9809@3.634953 5379 5799 3629 5667 12689 11678 12051 4706 3217 2930 2494 2651 3205 2803 4149 1879 2083 2608 2143 2527 1882 1588 2663 1666 1600 1 1508 1 1 1 2551 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9809 *155.9809* 155.9809@3.6821408 8156 8667 7006 7933 1 1 4601 5959 6457 4575 4710 4616 5082 4734 1 3621 4408 3922 3186 1 2921 3231 1 2726 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9809 *155.9809* 155.9809@5.961692 1 1 1 1 1 1 1 4477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9809 *155.9809* 155.9809@2.0580785 8306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9809 *155.981* 155.981@4.119606 7271 8877 6375 1 5412 1 4222 3424 4142 1 1 1 1 3597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.981 *155.981* 155.981@4.290038 1 8354 1 1 1 1 5708 6681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.981 *155.981* 155.981@4.881965 3863 1 4962 1 1 1 3239 3414 1 6282 1 6051 7204 1 1 4673 6154 5486 1 1 1 1 6968 6602 5915 1 1 1 3507 1 1 1 1 1 1 3735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.981 *155.9811* 155.9811@7.674284 1 2593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9811 *155.9811* 155.9811@4.156384 1 1 1 1 1 1 1 3811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9811 *155.9811* 155.9811@0.7100197 4414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9811 *156.0056* Furan 2,5-dicarboxylic acid 7350 7611 6253 6368 7477 6395 7202 6952 3198 5893 3678 7549 5386 5130 7517 7437 6926 7208 6778 8097 4218 5041 5306 5848 5651 5768 5897 5463 5646 3569 7070 6812 7372 6555 7171 6990 8310 7839 9147 9311 6899 7576 7058 7386 7269 7390 7462 7277 9365 8484 9010 8759 4653 5000 5787 6040 7441 7814 6888 7083 8787 8711 7372 7356 5306 5278 7591 7853 6542 3712 7348 7313 8262 7676 5210 7293 8938 8525 8530 9447 8738 8261 6937 3539 7864 8593 7819 7700 7397 7167 HMDB00578 156.0056 *156.006* Furan 2,5-dicarboxylic acid - 1.2302623 2961 1 3100 3119 2799 2719 1 4061 3244 2711 2642 4219 3018 2709 4547 3567 2529 2963 3059 3742 3071 3147 3327 3392 3075 2993 1 1 3363 3335 3876 3389 3812 3552 1 1 4919 4767 1 3447 1 2608 1 1 1 3222 1 2773 3761 4093 4345 3250 1 3086 1 1 1 3813 1 1 4846 1 1 2696 2926 2311 1 1 1 3279 1 2568 1 2994 3806 3355 4023 3317 1 3959 4441 1 3646 2987 1 2387 1 1 3384 1 HMDB00578 156.006 *156.0067* 156.0067@1.0718926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0067 *156.0311* 156.0311@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0311 *156.0528* 156.0528@0.9644636 1 1 1 1 1 1 4528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3230 2870 1 2220 1 1 1 1 1 1 1 1 156.0528 *157.0347* 157.0347@0.8568107 4461 4001 2183 3348 1 1 1 1 1 1 3774 3886 1 1 3552 3028 3267 3270 4171 4366 3545 3217 3900 4103 3980 3779 3469 3620 4145 2815 2732 3011 3972 3686 3543 3685 4989 4857 3010 1 3309 3586 3358 3776 1 2548 1 1 3979 4165 4402 4202 2961 3278 3495 3543 1 2917 1 3157 4052 3951 2302 1 3361 3127 4368 4335 2907 3356 4535 4912 3267 3019 2970 3306 3597 3868 3237 3084 4757 4262 3601 3462 3364 3198 3165 3483 3482 3786 157.0347 *157.0446* 157.0446@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.0446 *157.9055* 157.9055@0.8279297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3869 1 1 1 1 1 1 1 1 157.9055 *157.909* C3 H Cl3 O 1 1 3371 1 1 3514 1 1 1 2479 2677 1 2188 3308 3498 3634 3249 3704 3475 3391 1 3298 1 1 3619 1 3159 3375 1 3255 1 3026 1 3161 3321 1 3286 3218 3844 1 1 3096 2978 1 3605 3512 1 1 2167 3662 3787 3480 1 3478 3452 3799 1 3976 1 3296 2417 3182 1 1888 3342 3425 3172 2814 3225 4105 1 1 3456 3195 3359 3411 1 3276 1 1 3752 1 3210 3548 1 1 3572 4012 3250 3705 157.909 *157.9167* 157.9167@0.8262587 2862 1 1 1 1 1 2850 3953 3401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 5245 1 1 1 1 1 1 3494 3690 1 1 1 1 1 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 3650 2274 1 1 1 1 1 1 4404 5168 1 1 1 1 2785 4443 1 1 1 1 157.9167 *158.0076* 158.0076@0.7909343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 158.0076 *158.0181* 158.0181@9.351329 1 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0181 *158.0181* 158.0181@8.49701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0181 *158.0183* 158.0183@10.728218 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4021 1 1 2110 1 1 1 1 1 1 2155 1 1 2801 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4385 1 1 1 1 1 1676 1 1 1 1 158.0183 *158.0184* 158.0184@0.8164606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 158.0184 *158.0203* 158.0203@1.2785492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0203 *158.0214* 158.0214@1.1726935 6824 1 1 1 3325 1 2285 1 1 1 1 1 5139 6193 1 1 2776 1 4687 4491 9368 11629 8189 1 9606 10036 1 7380 8483 11159 5191 1 8515 8292 5743 5996 4796 1 1 2208 6541 6806 1 1 1 1 1 1 3062 1 1 1 7390 1 1 7106 1 1 1 1 1 1 1 1 1 1 1 1 4005 1 4033 4023 4074 1 1 1 1 1 1 1 1 1 1 1 2660 3706 1 1 12229 10362 158.0214 *158.0215* 2-methylene-4-oxo-pentanedioic acid 14591 5327 1 1 5095 7258 3249 5496 1 1 1 1 4089 4714 6070 3500 2555 5662 4829 6272 6795 7408 3182 3245 7095 7608 10409 6267 2545 3813 8723 10183 9514 10994 7153 12884 2653 3052 1 3085 12300 7468 4166 1 1 1 1 1 2995 2325 1 1 11327 8856 8600 7802 1 1 1538 1 1 1 1 1 1 1 1 1 3151 4491 6014 6220 5047 7629 1 1 1 1 1 1 1 1 1 1 4520 3148 11055 7451 12140 10532 158.0215 *158.0346* 158.0346@0.93733996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3951 1 1 1 1 1 1 3723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0346 *158.0385* 158.0385@0.9141337 1 1 14834 1 17498 19021 21388 19812 1 1 1 1 1 13471 2461 1 1 1 14699 1 1 1 1 1 1 3760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11903 1 1 1 1 1 1 1 1 1 1 12835 1 1 1 1 11697 1 14537 1 1 1 1 1 1 1 1 1 12905 1 1 1 1 1 1 1 1 1 1 1 1 1 5878 1 1 1 1 17198 1 158.0385 *158.0387* 158.0387@0.95896345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0387 *158.0566* 158.0566@3.8203332 1 1 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0566 *158.0619* 158.0619@3.4677913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22698 23129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0619 *158.0932* 3-Oxovalproic acid 1 1 1 1 1 1 4645 4296 1 1 1 1 1 2990 1 1 1 1 3022 1 1 1 2779 2463 1 1 1 1 1 1 1 1 1 3022 1 1 3786 3973 1 1 4546 4362 1 1 4003 3357 3132 1 1 1 3013 2862 1 1 1 1 4329 4741 3533 3038 4184 4218 1 1 4171 4211 4177 4149 1 2689 1 1 1 1 1 1 1 1 1 1 1 3454 3879 4157 4520 4833 3273 3215 1 1 158.0932 *158.1039* 158.1039@0.9603601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2440 21696 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.1039 *158.1051* C7 H14 N2 O2 9997 10595 8179 8182 25680 9003 6977 6564 8519 7989 9901 8981 8837 22444 9259 8961 7184 6790 4726 1 9271 9762 9334 8779 8974 8629 8970 27317 9450 7364 10070 9628 9665 8229 9507 10394 9323 9534 10649 10182 9764 10174 11458 12556 9679 9244 9402 9756 8507 10447 9440 9172 9452 9108 9305 9283 10257 10507 10728 12080 13936 12983 14092 14589 11950 12109 29404 10606 11463 10507 10559 30896 12321 12288 10891 11675 10901 10701 11510 28288 10052 10451 13106 12196 11073 10970 11909 11986 14220 12548 158.1051 *159.021* 159.021@0.91521287 1 1 3853 3885 1 1 1 1 1 1 1 1 3593 3979 5765 5549 1 1 1 1 4518 4395 4661 5012 4914 5125 4512 3629 6238 6339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.021 *159.044* 159.044@8.392252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3580 3527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.044 *159.0519* 159.0519@1.1703888 1 1 1 1 1 1 10655 10604 1 1 1 1 1 1 1 1 1 1 3720 4192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4491 4515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0519 *159.0674* 159.0674@5.329503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17584 17677 1 1 1 1 12231 1 1 1 1 1 159.0674 *159.9854* 159.9854@0.82259715 1817 1 1 1 2296 2623 1 1 2330 1 1 2228 1 1 1622 1 1 1 1 1 1 1 1 2267 1 1 1949 1 188290 1869 1 1 3341 1 1 2945 1 1 1 3113 1 164282 1 1 2541 2917 1 1 1 2409 1 1 1 1 3421 3112 1 1 1 1884 2478 3160 1 2755 1 1 1 1 1 1 1 2759 1 1 1 1 2197 1 1 1 1 2706 1 1 1 2575 1 3771 1 1 159.9854 *159.9858* C5 H5 Cl N2 S 143802 141940 188911 185289 172386 168348 197412 221996 160469 165629 138813 129800 173863 175159 152581 177885 179788 174948 174494 149937 115437 112631 150139 167897 157666 157436 156544 176041 2604 185332 149906 148137 178446 157687 174113 196044 161577 158081 178106 174524 162221 2958 168161 185892 155611 180833 201851 200521 204005 199632 145812 163076 190733 169696 159287 177600 190521 169064 172131 196165 174529 176510 165530 185285 132319 134104 186293 184007 172649 175933 182695 184940 200052 201772 193764 170238 181055 180181 176586 198138 216422 215933 208905 185102 172652 190795 224890 221983 195776 194635 159.9858 *159.9978* 159.9978@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.9978 *160.0168* 160.0168@0.9154946 1 1 4956 4872 1 1 1 1 1 1 1 1 4055 4497 6127 6505 1 1 1 2949 7218 5783 6171 5895 7683 5382 6245 4641 9839 8567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0168 *160.0187* 160.0187@1.0322138 1 1 6437 6148 4208 6382 1 1 1 1 1 1 1 1 1 1 1 1 2870 1 5361 3783 1 1 1 3369 1 6136 1 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0187 *160.0195* 160.0195@1.0432816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2720 1 1 1 1 1 1 6676 1 5821 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0195 *160.0331* 160.0331@3.16384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3060 1 1 1 1 1 1 1852 1 5338 3773 3166 2804 4289 3839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0331 *160.0504* 160.0504@3.7368486 5810 5134 3192 2972 2164 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0504 *160.0913* C8 H16 O S 1828 1 2352 2216 1986 1 2763 2353 2178 2234 1 1 1 1841 2027 1 2027 1943 1755 1975 1 1 1 1956 1868 2101 1 1 2293 2287 1 1 2124 1906 2075 2420 1994 1893 2414 2094 1 2094 2343 2153 1 1 2496 2354 2439 2731 1 1841 2064 1 2200 2014 2183 2024 1907 1 2464 2559 2082 2022 1 1 1971 2216 1964 2076 1 2093 1731 2279 1608 2017 1832 1402 2384 2153 2619 2341 2622 1801 1939 2119 2876 2392 2069 2181 160.0913 *160.1088* 160.1088@5.246813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4941 5259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7311 7411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2533 2744 1 1 3018 3200 160.1088 *160.1089* 160.1089@6.5467653 1 1769 1 1 1 1 2888 3107 1 1 2700 2766 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1 3073 3420 2844 2358 3348 3197 1801 1 3130 3166 2769 2532 3039 1 1 1 3031 3237 2333 2652 2875 2839 1 1 2258 2181 1 1 2631 2954 3047 3239 1 1 2685 2446 1 1 1 1 1 1 1 1 2552 2951 8461 8604 8944 9015 2609 3048 3409 3766 2255 1 1 2875 1 1 4218 4256 160.1089 *160.1089* 160.1089@7.0166335 1 1 1 1 1 1 2961 3054 1 1 1 1 1 1 1 1 1 1 2593 2519 1 1 1 1 1 1 1 1 1 1 1 1 2329 1 1 1 3099 3441 1 1 1 3408 1 1 1 1 2171 1 1 1 2088 1 1 1 1 1 1 2611 1 1 4823 4470 2403 1 2515 2392 3358 3044 1 1 1 1 1 1 1 1 1 1 1 1 2259 1 2849 2668 2647 2618 2306 2447 1 1 160.1089 *160.1094* 160.1094@5.1296563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9528 8832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 4049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1569 160.1094 *160.1095* 160.1095@6.021429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3579 3075 1 1 1 1 160.1095 *160.1208* 160.1208@0.97098804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.1208 *160.1209* Ne-Methyl-L-lysine 23234 23772 18184 18327 19843 20453 13918 14748 17623 17261 21197 20129 18611 17580 19923 20342 16670 16829 5175 16912 20699 20728 1 19352 19288 19651 19918 20169 18877 13615 20848 21010 18905 19475 22577 21057 19749 14488 23362 21901 21740 22731 26154 25816 20484 19934 22072 22180 21250 21296 22700 22355 20614 20572 19858 20387 19406 20983 23161 23931 27087 27282 29025 29372 7672 25160 21451 23029 22611 22149 23931 22635 25996 24972 22898 22836 23575 23860 22449 23615 21728 22228 26374 26441 21008 22005 24652 24471 28146 26631 C02728 160.1209 *160.1211* 160.1211@0.85890305 5478 4935 1 1 1 1 1 1 1 1 4131 3694 1 1 5398 4661 1 1 11958 1 1 1 18958 1 1 1 1 1 1 6159 1 1 1 1 1 1 4484 4588 4653 4469 1 1 1 1 2741 1 1 1 1 1 3361 3690 1 1 1 1 1 1 1 1 1 1 1 1 14874 1 1 1 1 1 1 1 1 1 1 1 1 1 5189 5347 3804 4215 1 1 1 1 1 1 1 1 160.1211 *160.1238* 160.1238@7.2371907 1 1 1 1 1 1 1 1 1 1 1 1 2606 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.1238 *161.0134* 161.0134@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0134 *161.0357* 161.0357@0.9659975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0357 *161.0678* 161.0678@1.7017977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 1 1 1 1 1 1 1 1 1 1 1 5417 5982 3589 3590 2907 3061 1 4142 3759 1 1 1 161.0678 *161.068* 161.068@1.5938385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4392 1 1 1 1 1 1 1 1 1 1 1 161.068 *161.922* 161.922@0.84482247 18852 19342 20640 20937 24523 18093 20860 26560 24938 19552 17980 17765 20022 19457 19614 20210 21792 21387 20701 20179 20560 19638 20414 20788 21454 21941 20751 20099 20154 20668 18880 18875 19897 19904 20589 19282 20604 21085 20135 19756 20033 20236 20020 20370 26962 21186 20584 19809 21919 20090 20192 20179 21181 21343 21378 21964 19962 20076 19810 20552 19435 19205 18927 18774 20543 20148 21574 21904 22239 27703 19143 20193 20699 21895 21691 21918 22336 22462 20680 21281 21815 21741 20772 20177 20750 20575 20387 20705 20924 20487 161.922 *161.9838* C4 H3 Cl N2 O3 20247 20320 1 1 1 1 27459 1 23062 23687 18932 18486 1 1 23155 1 1 1 1 20717 16633 16597 20725 1 20394 22662 22346 1 1 1 1 1 1 21794 24384 1 23421 21829 24318 23340 22391 22985 23224 1 22430 1 1 1 1 1 20211 1 1 24408 23164 1 1 24422 23379 1 23993 25168 21699 1 17977 17809 1 1 1 1 1 1 1 1 1 24091 1 1 24472 1 1 1 1 25597 23283 1 1 1 1 1 161.9838 *162.0278* 162.0278@0.9411772 1 1 1 1 1 1 1 1 1 1 12541 12909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2705 1 1 1 1 5666 1 1 1 162.0278 *162.0316* 162.0316@5.9391794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4205 4100 1 1 1 1 1 1 4462 4433 1 1 2025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 3917 162.0316 *162.0316* 162.0316@4.1649704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 3481 1 1 1 1 1 1 1 1 4872 5173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0316 *162.0336* 162.0336@0.9440092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0336 *162.0344* 162.0344@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0344 *162.0401* 162.0401@0.9311624 1 1 1 1 1 1 1 1 1 5158 1 1 1 1 1 1 1 1 1 8274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10434 9211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9301 1 1 1 1 1 1 1 1 1 162.0401 *162.0489* 162.0489@0.9161427 1 6178 22282 12592 1 1 1 1 14504 1 10943 12481 1 1 1 1 1 1 13186 1 1 1 1 1 1 1 1 1 11795 1972 1 13935 8195 12462 1 1 1 1 18878 1 4732 1 1 13022 1 8961 1 1 1 1 9043 1 11223 8563 1 1 1 1 1 2985 1 1 1 8353 1 1 1 1 1 1 1 1 1 1 1 1 14790 1 1 1 1 19418 1 1 9598 1 17664 21888 1 1 162.0489 *162.0502* 162.0502@0.8617623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9207 1 1 1 1 1 1 10659 1 1 6909 8954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0502 *162.0507* 162.0507@0.8978416 7765 26938 1 1 1 1 9084 1 1 1 1 10853 1 1 3461 1 31937 1 1 1 18399 1 1 1 32713 1 1 17280 17205 14881 29553 13694 1 9126 1 1 1 1 8486 16782 1 1 1 1 1 1 1 1 1 1 1 1 15402 26293 1 8502 1 1 1 1 1 45164 1 1 1 1 51291 14808 5135 1 1 1 9110 1 1 1 24178 1 1 1 19124 1 1 1 1 38305 1 1 1 1 162.0507 *162.1402* 162.1402@9.893652 1 1 1 1 1 1 1 1 1 1 1 1 34870 36220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1402 *162.9933* 162.9933@2.8007596 4652 4798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6180 5924 1 1 11180 11301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29690 30018 3413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11771 11609 1 1 1 1 1 1 1 1 1 1 3661 1 1 1 1 1 162.9933 *163.0412* 163.0412@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0412 *163.9191* Chloral hydrate 11893 12426 13964 1 1 12874 1 1 12680 1 10886 1 13950 1 1 1 13360 13522 1 1 1 12891 13501 13066 13768 13643 13051 13753 13508 8422 12740 12315 12767 13932 12266 12053 13381 13456 1 1 13461 1 13792 13223 1 1 1 1 14362 1 13771 1 1 13080 1 14147 1 1 12727 1 12243 12892 13285 11791 13256 13006 14399 13728 1 14457 13140 13118 1 14162 14298 1 13855 14833 1 13875 15321 1 1 13789 1 14050 1 12611 13515 13487 C06899 163.9191 *163.9193* 163.9193@0.84353733 1 1 1 13189 13328 1 13201 13187 1 13068 1 11428 1 13104 11814 13068 1 1 13126 13058 12778 1 1 1 1 1 1 1 1 5091 1 1 1 1 1 1 1 1 12815 12164 1 12846 1 1 14225 13372 13497 13198 1 14075 1 13404 13932 1 13842 1 13007 13596 1 13129 1 1 1 1 1 1 1 1 14456 1 1 1 13363 1 1 13484 1 1 13530 1 1 15160 13443 1 13369 1 13497 1 1 1 163.9193 *164.0597* 164.0597@14.692921 1 1 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0597 *164.0615* 164.0615@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0615 *164.0671* 164.0671@1.0228512 1 1 1 1 1 1 2669 2888 1 5441 1 1 1 5232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9498 9474 1 1 1 1 1 1 1 1 1 1 1 1 7305 1 1 1 1 1 1 1 1 1 1 1 1 7351 1 1 164.0671 *164.0678* 164.0678@1.15575 1 1 1 1 1 1 4124 3585 5786 5821 1 1 1 1 1 1 1 1 2738 2404 1 1 3578 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 2990 1 1 1 1 4375 4375 1 1 1 1 1 1 1 1 1 1 1 1 2902 3279 1 1 5770 5830 1 2306 1 8510 1 4262 1 2397 2401 2425 1816 1 1 7014 1 1 1 1 5199 5410 2548 2826 5059 1 164.0678 *165.0418* 165.0418@3.4136305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14936 16107 165.0418 *165.0462* 165.0462@0.9109992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0462 *165.078* 165.078@3.2203436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5750 1 1 1 1 1 1 1 1 1740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3412 1 1 1 1 1 1 1 1 1 165.078 *165.0787* 2-amino-4'-hydroxy-Propiophenone 158102 164217 189691 188225 179923 179882 108474 105752 185982 186212 172083 172332 152191 154565 229956 230177 169566 168659 179257 177472 154270 158823 155299 152546 162133 164594 217174 216261 180220 183321 169699 170402 169472 168231 192714 189532 212624 214120 189488 190148 172556 178777 245433 240859 201592 204385 180042 185546 252334 251262 171931 174398 179486 182975 230414 232968 233886 240985 286087 285429 376390 372106 154316 159918 204377 206399 213214 217436 211521 213178 266695 260116 210406 204969 191022 202309 251181 254945 261815 262722 276044 277356 388056 390639 230065 231024 301280 292265 179403 182951 165.0787 *165.186* 165.186@3.166096 2261 2168 2713 2711 2371 1701 1 1 2875 2734 2208 2158 1887 1944 3651 3502 2471 2426 2209 2800 1681 2032 2112 1945 2040 2304 3532 3678 2745 2272 2513 2427 2402 2446 2507 2893 3441 3465 1 2709 2570 2527 4027 4009 3218 3129 2125 2655 4203 4142 2481 2424 1659 2766 3244 3777 3805 3806 4663 4908 7281 7007 1613 2207 3057 3124 2478 3200 3158 3375 4511 4193 3253 3077 2449 3052 3627 3490 4306 4552 4509 4147 8184 7651 3350 3673 5462 4834 2424 1620 165.186 *165.9367* 165.9367@0.8349414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8019 1 1 1 1 1 1 1 1 8315 1 1 1 1 1 1 1 165.9367 *165.9417* C3 H3 Cl N2 S2 13092 12742 15581 15492 16744 16216 27188 21580 16418 20688 11307 14563 20173 16294 16912 17467 20435 16519 16686 22463 19603 15555 16425 16824 19103 16150 16505 21554 15569 15657 16790 16004 21054 21498 15824 16417 15306 15038 22004 16495 20461 21196 15549 7417 15836 16353 16992 16387 26268 17667 22083 17970 15761 16664 15932 17393 19507 16589 15193 14847 12570 14512 9613 14107 15486 20707 22803 17686 22755 20323 15165 1 15321 8152 17267 16136 15737 16814 1 1 14742 23492 1 14514 1 1 22951 19414 15757 15697 165.9417 *165.9461* 165.9461@0.8189495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15318 1 1 1 1 1 1 20671 19499 3432 1 8963 1 18897 18901 1915 1 1 1 165.9461 *166.0429* 166.0429@0.87299246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0429 *166.0475* 166.0475@0.91703403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0475 *166.0478* 166.0478@0.8946112 8516 8647 7812 5301 1 1 1 7182 3431 1 1 1 1 1 1 5520 2698 1713 10472 10666 10054 1 2502 11066 1 1 1 5237 1 1615 4598 1 10787 10405 1 1 1 7259 1 1 1 1 4995 7911 1 1 4717 1 14862 4706 15405 1 1 1 1 1 1 15393 1 1 1 1 8652 1 1 3670 11322 10725 1 1 2217 8866 1 1 6949 6671 1 6333 1 1 1 1 9148 8593 1 5206 9900 1 1 1 166.0478 *166.0482* 166.0482@14.690928 1 1 1 1 1 1 1 1 1 1 375403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0482 *166.0485* 1-METHYLXANTHINE 5106 4619 1 1 6238 5919 5730 6691 4637 5212 10306 9163 6597 6568 6347 6942 4033 4137 4289 3506 2921 2788 16309 15542 5493 5669 7225 8134 9836 10045 3680 3995 6502 6525 6197 6305 4727 5142 4789 4227 16478 16704 11162 11883 2975 3054 11068 12236 6035 5659 6864 7416 6976 7292 4432 4604 5340 5843 7757 6652 2482 2673 1 1 6674 7089 14482 12512 9756 10373 22913 22963 2275 2575 4058 4251 1 1 8086 7948 17370 17529 3466 3088 27257 28771 6593 6905 5001 5333 166.0485 *166.0485* 1-METHYLXANTHINE - 3.0002494 7461 7373 1 1 11283 11301 7716 7043 5839 5873 9069 7989 2349 2331 8904 8187 1 1 16874 17800 1 1 8139 8080 1 1 2936 2861 1 1 12555 12415 15729 14614 5326 5479 7694 6753 1959 1955 8249 7557 2437 2609 1 1 6086 5736 1 1 2943 2723 6826 7071 1 1 9206 9114 1 1 1 1 1 1 4712 4692 8660 8164 5030 4513 17533 17147 1 1 9232 9317 1 1 1 1 10942 11542 2652 3203 21159 21815 4111 3812 8876 9299 166.0485 *166.0493* 166.0493@0.9025792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33241 1 1 1 1 1 1 1 19001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34438 1 1 1 1 1 1 1 1 13674 1 1 1 1 166.0493 *166.0495* 166.0495@3.3442662 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0495 *166.0613* 166.0613@7.042676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0613 *166.0619* D-Phenyllactic acid 3733 4078 3452 2735 1 1 1 1 1 1 2110 1859 2797 3101 1 2393 1 1 3004 3204 1 1 2643 2998 1 2137 1 2264 8585 7955 2117 1 2396 2893 1 1 4000 2538 1 1 4642 3950 1 1 3668 3658 2564 2664 1574 1 1 1 5108 4660 2443 3127 3080 5155 5847 5914 9323 8899 1 1 3381 2696 3053 3539 1 1 2817 2520 3044 2427 1 1 2530 2629 5370 5743 8970 8035 2577 4527 1 1 3563 4048 2331 3486 HMDB00563 166.0619 *166.0623* 166.0623@3.952105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3525 4787 1 1 1 1 1 1 1 1 1 1 166.0623 *166.0627* 166.0627@9.856161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4129 4254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0627 *166.0633* 166.0633@5.1367626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3092 3596 3747 2065 1 1 1 1 1 1 166.0633 *166.0981* 166.0981@8.595446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6427 5804 1 1 1 1 3726 3449 3044 2950 2290 1 1 1939 1 1 4693 3930 1 1 1 1 1 1 1 2447 1 1 2399 2579 3595 3245 1 1 2509 2794 1 1 2733 2456 1 1 1 2402 1 1 4653 4556 2228 1 1 1 5018 4726 1 1 4135 4209 2863 2927 1 1 166.0981 *166.1568* 166.1568@13.473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.1568 *166.2066* 166.2066@13.473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.2066 *166.9858* 166.9858@7.0073533 1 1 1 1 1 1 1 1 2383 3416 3756 4123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6574 12934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5744 9369 3673 3522 1 1 1 1 22108 34109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.9858 *167.0214* 167.0214@1.1963918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14623 14633 2527 2779 1 1 1 1 1 1 1 1 167.0214 *167.0254* 167.0254@1.0251045 2236 2025 1 1 1770 1 2457 2470 1 1 1 1 1 1810 1 1 1864 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 2445 1 1 1 1 1341 1 1 1 1 1 2349 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3928 3645 1 1 1 1 1 1 2831 2269 1 1 167.0254 *167.0573* 167.0573@3.0056682 5359 6299 1 1 1 1 25412 21407 1 1 1 1 3534 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7162 6814 1 1 1 1 1 1 1 1 1 1 6518 6961 1 1 1 1 1 1 6201 7388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13851 13946 167.0573 *167.0577* 167.0577@3.0362258 1 1 1 1 1 1 1 3719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0577 *167.9319* C3 H2 Cl2 N2 S 3710 3743 4173 6818 4357 4516 1 5592 4445 1 4048 2983 1 4122 4683 4975 1 7412 4512 1 1 4192 4129 4560 1 4425 7710 1 3835 5793 4633 4051 1 1 4067 7438 4246 4220 1 7697 1 1 3989 4587 4574 4298 7229 4746 1 8208 1 4807 3894 4654 4313 7434 5471 4770 4419 4789 4416 4198 3413 3773 4065 1 1 8311 1 5122 4411 4210 4006 3845 7919 4632 4686 5088 4567 5435 5092 1 4489 4429 4907 10046 1 8184 4261 4408 167.9319 *168.0276* 168.0276@1.4206058 1 1 1 1 1 1 1 1 1 1 98677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67526 1 1 1 11625 1 1 1 1 1 36698 1 1 1 1 1 1 1 1 61426 1 1 1 74033 1 1 1 1 1 1 1 1 1 1 1 1 1 30550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45087 1 1 1 1 1 1 168.0276 *168.0278* Uric acid - 1.3627466 208388 1 148584 1 1 97776 1 1 218661 1 39419 1 1 117556 1 139693 82664 108347 98893 125783 138580 120748 1 1 178750 236598 1 1 160538 80448 1 1 1 161755 1 192252 134743 85000 59144 34815 260531 1 93855 1 151426 1 1 1 135080 1 211048 1 1 101365 1 185469 173853 1 1 221829 103605 1 126894 1 213046 164761 1 159648 1 262332 1 58502 1 1 147078 63647 1 185092 197274 1 245792 302548 1 203597 72562 200230 108669 1 1 165336 HMDB00289 C00366 168.0278 *168.0279* 168.0279@1.6485224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4611 6507 1 1 1 1 1 1 1 168.0279 *168.0279* 168.0279@1.8182966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3892 3825 1 1 1 1 1 1 168.0279 *168.0287* Uric acid 510693 504173 342464 487746 411324 424986 664239 515489 294592 382622 440132 417514 359224 390400 375482 286475 319787 355591 459281 511837 539834 463701 384717 429241 471777 341577 373807 319358 428558 439589 328595 311425 686260 706605 572706 394995 655026 697813 414313 414929 311641 459541 367626 429689 399239 586936 418326 450445 328956 425409 546934 405233 413211 497170 405733 465791 423956 473270 484340 365680 425465 464476 268943 421807 399321 443698 557561 532082 432331 341732 359716 382884 525834 426580 347194 339115 414475 386663 952133 985950 459246 495665 594843 860049 706269 664205 466054 459112 421467 430247 HMDB00289 C00366 168.0287 *168.0411* 168.0411@5.446164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5986 5630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0411 *168.0416* 168.0416@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0416 *168.0418* 168.0418@4.9566183 1 1 1 1 1 1 3071 3146 1 1 2169 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11831 12820 8646 7849 1 1 3354 2939 1 1 1 1 2128 1 1 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7190 7260 1 1 1 1 1 1 1930 2123 1 1 1 1 1 1 1 1 1 1 6001 6429 2282 2592 1 1 168.0418 *168.0546* 168.0546@0.85449636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0546 *168.0934* 168.0934@8.500341 1 1 1 1 1 1 4978 5870 1 1 1 1 1 1 1 1 5144 5262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7502 6885 168.0934 *168.136* C8 H16 N4 11120 11361 7287 7071 8189 8132 1 1 7154 7195 7811 7639 7616 7687 5691 5916 5484 5491 9578 8966 9877 10738 7746 8034 1 1 5046 5420 7507 8577 5290 4223 1 1 11262 9483 1 1 7665 8418 9679 8852 5831 6592 10525 11543 7070 6265 6803 6927 11190 10752 7232 7758 7670 8174 9805 9727 8128 8459 9021 9152 7055 7230 7396 7735 8805 8780 8074 8081 5824 5540 9207 9122 5168 5500 6601 6874 1 1 1 13313 1 1 1 1 7424 6993 6514 7499 168.136 *168.1788* 168.1788@1.2661456 1 1 1 1 1 1 1 1 1812 1 1 1 1970 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1798 1 1 1858 1891 1 1 1 1 1 1 1 1951 2733 1 1 1 1 1 1 1 1 1 1 2494 1 1 1 1 2209 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1788 *168.1809* 168.1809@1.2664834 2854 2923 1937 1899 1 2281 1 1 1 1967 1757 2202 1 1963 1 1 1 1 2639 2518 2874 2641 2043 1839 1 1 1 1 2076 2153 1 1 1 1 2896 2977 1 1 1866 2002 1 2415 1 1 2734 1 1 1 1979 1897 2975 2650 2083 2246 2221 1 1 2509 1 2268 1 2430 1 1 1823 2106 2373 1 2277 2151 1 1 1 1 1 1 1712 1757 1 1 1 1 1 1 1 1 2055 1852 1706 2005 168.1809 *169.0297* 169.0297@1.3817588 1 1 1 1 1 1 1 1 1 1 2863 1 6498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2789 1 1 1 1 1 1 1 1 1 1 1 1 1 6474 1 1 1 1 1 2160 1 1 1 1 1 3407 1 1 8330 1 1 1 1 1 1 1 1 1 1 8228 1 1 1 1 1 1 1 1 1 1 9576 1 1 1 1 1 1 8587 1 1 169.0297 *169.0341* 169.0341@0.8842848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2611 1 1 1 1 1 1 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3324 3683 2626 2763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2657 2404 1 1 3343 3554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0341 *169.0372* 169.0372@3.299419 1 1 1 1 1 1 2523 2537 3844 4788 1 1 1 1 1 1 1 1 2404 2760 1 1 3022 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3235 3299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1 3804 3287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0372 *169.0376* 169.0376@2.8714201 1 1 1 1 1 1 7398 7105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0376 *169.0424* 169.0424@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0424 *169.0832* 169.0832@0.8508564 3195 1 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 1 1 1 1 1 1 1 1 1 1 1 1 8227 1 1 1 1 1 1 1 1 1 1 1 5157 1 1 1 1 1 1 1 1 1 1 1 1 3888 1 1 1 1 1 1 1 1 1 1 3038 3261 1 1 1 1 1 1 1 1 1 1 169.0832 *169.0841* N(pai)-Methyl-L-histidine 1 1 1 19458 1 1 16588 16710 1 1 1 1 1 1 6249 1 1 1 7011 1 1 18051 1 1 5270 1 7152 7160 8811 5200 1 1 1 1 1 1 1 3287 1 1 1 1 1 1 1 1 1 4700 1 10972 10152 1 1 1 1 5398 36231 1 1 1 21973 1 1 11722 1 1 1 1 1 1 1 1 1 1 3200 1 1 1 1 1 1 1 19669 19117 17566 16780 12135 11561 1 1 C01152 169.0841 *169.9961* 169.9961@4.9909825 1 1 1 1 1 1 1 1 1 1 2743 1 1 1 77878 1 1 1 1 1 1 1 1 1 3055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3585 1 1 1 1 12216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.9961 *169.9965* C5 H2 N2 O5 444851 450069 468068 467160 505049 494953 500392 507345 486098 481718 502539 499954 496920 501269 360368 440335 521483 504125 378424 383107 397302 404955 392899 396814 438799 445602 437976 444545 364538 366803 475664 473547 505363 500862 496422 503145 497741 493849 476801 484300 481124 484006 410922 412531 413528 520828 440196 441506 467568 467366 517867 509121 414811 414964 482547 488627 491271 491773 367508 374446 424549 435307 474184 467200 519243 514280 501568 499878 483473 480921 469866 473174 413105 401334 497065 500565 440776 432170 424119 428939 377271 381864 427076 426291 407568 405947 427324 425442 407014 417417 169.9965 *170.0422* 170.0422@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0422 *170.0724* 170.0724@5.317256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25744 23355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0724 *170.0729* 170.0729@8.387121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109925 107184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258607 260202 1 1 1 1 1 1 1 1 1 1 1 1 1 1967 1 1 1 1 37306 36467 1 1 1 1 1 1 1 1 1 1 541344 547115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0729 *170.0948* 170.0948@3.169207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1 1 1 1 1 1 1 1 1 1 1621 1 1 1597 1840 1 1 1 1820 1693 1 1 1815 1 1 1 1 1762 1675 1 2043 1 1 1 1469 1730 1 1 1894 1901 1 1894 2050 1956 1 1984 1949 1992 1 2216 1868 1771 1966 2240 1760 1775 2096 1 1 1 170.0948 *170.1066* C8 H14 N2 O2 8017 7708 8696 8712 9131 1 9105 9079 9294 8674 10086 9544 9666 9876 7848 7843 10644 9051 6968 6959 7008 7412 6727 5837 7113 8485 8179 8438 5361 5721 7991 8983 10203 9152 9013 9057 9778 9194 8824 8885 8817 8173 6722 6855 9325 9571 7193 7397 8496 7408 9743 9326 7721 7213 8900 8985 8966 9288 5939 6063 7604 7330 7607 8069 9911 9787 9282 9105 8406 9006 8032 8028 6849 7414 9672 9898 8139 7661 7134 7464 6144 5500 7431 7681 6635 6722 7073 6383 6827 7573 170.1066 *170.1485* 170.1485@4.8529754 1 1 1 1 1 1 2826 2817 2552 1 2668 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1 1 1 1 1 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1485 *170.1832* 170.1832@8.392113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 5897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1832 *170.9996* 170.9996@4.8779035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.9996 *171.0593* 171.0593@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0593 *171.0808* 171.0808@8.387614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367324 359659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818279 815480 1 1 1 1 1 1 1 1 1 1 1 1 10671 10241 1 1 1 1 117038 115885 1 1 1 1 1 1 1 1 1 1 1604331 1619850 1 1 1 1 1 1 1 1 1 1 5265 5420 1 1 1 1 1 1 1 1 1 1 1 1 171.0808 *171.0984* 171.0984@3.2007194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9258 1 1 1 1 1 171.0984 *171.0988* C7 H13 N3 O2 108450 110707 130723 131343 130725 130089 103963 102471 139390 136947 134059 131108 124133 124457 151118 155293 149513 149231 135595 132900 125394 133406 134438 134842 141447 143876 154878 151882 134870 123570 144509 146881 150589 148914 156444 157071 154060 153591 156293 159621 158543 159819 167532 161355 157394 160290 142488 145293 170581 169930 165102 166588 158432 160303 164954 168121 165092 165683 157790 155961 192370 193389 165123 169620 168558 171343 167336 172435 179042 182856 183747 179687 185490 184496 197137 205643 198664 200780 185351 190861 180656 183972 210206 212509 164206 177319 200542 198026 150685 151631 171.0988 *171.1906* 171.1906@8.386553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7414 6225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1906 *171.207* 171.207@3.1658895 1 1 1696 1675 1419 1718 1 1 1879 1728 1926 1900 1 1741 2296 2115 2203 2164 2110 1992 1795 1 1842 1804 1990 1836 2530 2352 1914 1984 2229 1807 1 2446 2435 2077 2397 2570 2487 2557 2262 2319 2585 2614 2427 2335 1 2329 2567 2731 2246 2488 2253 2333 2302 2326 2562 2661 2208 1 3369 3073 2556 2666 2181 2554 2638 2657 2926 2950 2178 2817 3167 2667 2997 3473 2712 3343 2966 3185 2673 2487 3697 3636 2867 2963 3204 2826 2144 2320 171.207 *171.9509* C5 H Cl N2 O S 37849 37015 29809 28981 16878 37145 28407 28673 15088 26588 18952 36080 18847 27584 37377 27952 10943 10469 29337 18864 39332 39533 29275 17943 28603 41144 28832 28755 27473 22053 17136 28260 28531 17570 27389 35496 19761 28361 26151 25569 28462 28586 27970 9222 38323 28176 28405 27377 16486 17002 27478 27660 37327 28021 29189 11767 27267 27554 38177 28121 27282 27046 26462 26867 27949 17701 18397 19728 40006 39236 18590 30505 36447 28383 28378 29472 30275 30844 19394 28830 29634 31098 16922 29345 19416 22679 24415 27439 28977 16164 171.9509 *171.9514* 171.9514@0.8228641 1 1 1 1 10164 1 1 9742 11934 1 8627 1 10557 1 1 1 1 1 1 13417 1 1 1 10656 1 1 1 1 1 1 11917 1 1 10745 1 1 9453 1 1 10358 1 1 1 18796 1 1 1 1 11540 11558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10132 13374 10446 1 1 10705 1 1 1 1 1 1 1 9901 1 1 9093 9969 7629 9461 11641 9749 1 1 16869 171.9514 *171.9918* 171.9918@5.817814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 3266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.9918 *172.0493* 172.0493@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0493 *172.0506* C6 H9 Cl N4 5791 5390 4079 4127 5301 5535 3067 2774 4306 4437 4565 4196 3889 4124 3533 3734 3843 3603 4564 4577 5014 3985 3380 3976 3655 3890 3327 3225 3321 3168 3412 3703 3041 3226 2208 2061 3427 3685 3166 3087 2271 2970 3619 3668 2505 2546 2872 3118 2627 2728 3300 2827 3133 2965 3634 2743 3121 2819 2833 3109 2962 2711 2398 1 2300 2546 1 3054 2962 2865 2683 2755 2625 2745 2810 2753 2911 2828 1 1 2600 2319 2411 2479 1 1 1 1 1 1 172.0506 *172.0506* 172.0506@3.8869863 4018 3990 1 2852 2734 1 1 1 2937 1 3543 3171 2788 3152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0506 *172.0728* 172.0728@3.241661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11055 11418 172.0728 *172.0846* 172.0846@0.91974807 5271 4859 1 1 1 1 1 1 1 1 1 1 1 1 4312 4262 1 1 1 1 1 1 1 1 1 1 1 1 5155 4661 1 1 3288 3812 3595 1 1 1 1 3776 1 1 1 3393 1 1 1 1 1 1 3976 3375 1 1 1 1 1 1 1 1 3000 3754 1 1 3939 3553 1 1 1 1 1 1 4718 4675 1 1 1 4310 1 1 1 1 1 1 1 1 3811 4045 1 1 172.0846 *172.087* 172.087@5.3192544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4138 3745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.087 *172.0883* 172.0883@6.5805583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3316 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8449 8507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0883 *172.1451* 172.1451@8.187472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1451 *172.1456* 172.1456@10.451696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1456 *172.1939* 172.1939@8.3912525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3574 3910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1939 *173.0295* 173.0295@0.8364116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 2851 3066 3338 1 1 1 1 1 2750 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 3280 3071 1 1 1 1 1 1 1 1 1 1 2703 2621 2101 1 1 2126 1 2494 1 1 1 1 1 1 1 1 1 1 2443 2433 173.0295 *173.9479* 173.9479@0.8365422 1 1 1 1 1 1 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4790 1 1 1 1 1 1 1 1 1 1 1 1 5388 5501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 1 1 3048 1 1 173.9479 *173.948* C3 H4 Cl2 O4 1 1 10311 10665 9101 1 6986 1 9159 8986 5925 1 1 9733 1 9592 9883 9878 9854 1 1 1 5715 10542 10088 1 9722 9806 10051 5495 8985 9181 1 9393 8312 1 9774 9430 8468 1 9721 8851 5739 9122 1 9180 3716 9149 9033 9545 8911 9266 1 9076 9826 10321 8527 8807 1 3861 3565 8897 8641 8975 9385 8867 10360 10198 1 1 9621 9792 3336 9479 9758 9387 9983 9802 1 6252 9931 1 6379 1 9483 3936 3137 5641 9355 5332 173.948 *173.997* 173.997@3.977495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 1 2265 1 1 1 1 1 1 1 173.997 *173.9985* 4-Hydroxybenzenesulfonic acid 55883 57468 171920 171463 160182 162274 620191 631918 33488 35268 56119 55107 95901 94636 57561 57302 92164 90955 132089 134201 119778 119557 74840 74004 43940 41589 356109 355891 456883 462741 235848 233653 499716 500568 220084 221657 1100239 1113041 47531 49075 327457 329227 290547 291955 189070 185843 480635 486555 104050 105815 646463 648357 402495 405908 375958 380856 118815 116668 166244 168058 687164 695298 267071 270540 167270 165461 438103 439725 88987 88999 82613 83555 103406 99388 198778 203108 134097 134738 414160 418471 571705 563619 154676 156156 246834 248609 420432 420935 333944 335672 173.9985 *174.0002* Phenyl sulfate 1 1 1 7042 5239 4972 1 1 5038 1 1 4619 6046 1 5652 6684 5527 1 6943 1 3885 4173 1 1 6893 1 1 7461 5758 3273 5470 1 5591 5783 7997 1 6098 7960 1 7484 5912 8548 1 8158 5747 8119 7796 7686 1 6410 1 5335 6055 1 7352 6305 7179 6186 6052 5660 6119 7442 1 1 1 4820 5614 5976 6085 7272 1 6293 8714 6701 1 8003 5951 1 7655 6486 7488 7522 1 6808 1 6638 1 9362 7670 8385 174.0002 *174.0007* 174.0007@0.7831655 4832 4920 7669 1 1 1 8264 6344 1 6570 5473 1 1 6577 1 1 1 6393 1 6266 1 1 6336 4962 1 6701 7215 1 1 4422 1 5847 1 1 1 7967 1 1 6268 1 1 1 5483 1 1 1 1 1 7398 1 6678 1 1 7490 1 1 1 1 1 1 1 1 7762 8135 1 1 1 1 1 1 5562 1 1 1 6505 1 1 5283 1 1 1 1 7001 1 6248 1 8510 1 1 1 174.0007 *174.0163* Dehydroascorbic acid - 1.285603 1 1 1 1 1 1 1 1 1 1 7479 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 3272 1 1 1 1 1 1 1 9351 1 1 1 1 1 1 1 1 1 1 1 17998 3041 1 1 1 1 1 1 13913 15325 16194 18558 18462 14434 16247 14435 14516 12628 13536 13708 11266 14914 14890 13516 11202 7682 10632 3374 21854 10954 13672 20574 20809 17048 16056 14214 14462 16875 17199 18319 16224 HMDB01264 C00425 174.0163 *174.0164* Dehydroascorbic acid - 1.251309 12378 13241 9785 10150 14795 14001 12564 12917 13560 14271 5470 12521 10438 11098 14075 14897 14265 13240 14445 15331 14119 12493 13223 12044 12452 11544 7812 8437 11734 6531 19731 18862 18226 19644 14238 14019 16283 6703 16019 14530 12804 13069 13096 14470 14561 16262 13647 13776 20019 1968 21618 20620 14694 13658 15528 15293 13068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10085 1 21736 1 1 1 1 1 1 1 1 1 1 1 1 1 HMDB01264 C00425 174.0164 *174.0165* 174.0165@1.5427467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3787 1 1 174.0165 *174.0166* 174.0166@1.5141159 1 1 1 1 1 1 3816 1 1 1 1 1 1 1 6370 6035 1 1 1 8356 1 1 1 1 1 1 1 1 1 1 6137 2698 7393 7406 1 1 1 1 6977 5494 1 1 1 1 1 1 1 1 7831 2059 4592 1 1 1 1 1 8580 1 1 8820 10186 6586 7727 9480 7703 1 1 1 6238 1 8672 10639 5499 9164 7949 4314 9269 12681 12899 3128 5885 13033 1 4846 1 12257 12481 5447 9700 11036 174.0166 *174.0167* 174.0167@1.0410691 1 1 11632 1 12207 12706 14709 1 1 1 5132 1 1 1 1 1 12124 1 12699 12392 1 1 1 1 1 1 1 1 1 1242 1 13225 13109 1 1 1 15920 14445 1 1 1 1 12001 11997 12778 13537 1 1 1 11596 1 17436 1 1 1 1 13791 17032 11034 1 1 1 1 1 12572 13086 14612 16583 1 1 19628 15851 1 13942 1 1 16789 1 1 1 1 1 13115 11667 1 1 15248 15038 1 1 174.0167 *174.0172* Dehydroascorbic acid 14190 12574 4972 17188 6110 4865 6450 21815 17939 17039 8409 13704 9482 12870 11384 12228 4992 16539 5301 5264 9884 9336 8835 11284 14780 9689 8639 8271 7188 7491 13874 4717 7258 1 14805 15222 4695 4585 26738 27326 17543 19069 5392 4872 5882 5115 22237 22241 18119 5376 22737 5116 11065 12515 10898 15901 6262 4013 4408 16517 25038 22969 22987 24120 5101 5882 4804 4233 15438 15687 6024 6045 19464 5723 23783 27029 5304 22086 20540 22029 23135 20599 5327 5058 18081 19166 5668 5795 17305 18252 HMDB01264 C00425 174.0172 *174.0192* 174.0192@0.99860674 1 1908 1 1 1 1 1 1 1 1 1 3059 4388 1 4863 5098 1 1 1 1 5742 4602 4829 1 1 4871 4746 4886 6138 3861 4018 1 1 3279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 5264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0192 *174.0278* 174.0278@0.9809869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0278 *174.0294* 174.0294@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0294 *174.0329* 174.0329@0.9675069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0329 *174.0562* 174.0562@2.7771626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2789 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0562 *174.061* C5 H10 N4 O S 1 1 1 1957 1 1 3214 3275 2547 2508 2500 2373 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 2592 2349 2369 2130 3197 3418 2029 1 2291 2586 2010 1 1 1 4658 4377 3031 2230 2009 2463 2730 1 2591 2524 3219 3632 1 1 1 1 1 1 1697 2392 3349 3771 2849 3218 3310 2906 4062 4700 1923 2544 2713 2542 1 1 174.061 *174.0719* 174.0719@8.391752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4244 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0719 *174.088* 174.088@5.02549 1 1 1 1 1 1 2459 2439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 2580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2749 1 1 1 1 1 1 1 1 2555 2625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.088 *174.0989* Val Gly 1 2340 4746 4019 1 1 6552 7119 4275 4507 1 1 3157 3657 2618 1 1 1 1 2421 1 1 2704 3081 2701 3037 1 1 1 1 2956 3094 3722 4749 1 1 4782 4442 3740 3610 4078 4208 2694 3106 1 1 1 2941 1 1 1 1 2887 3108 1 1 3608 3587 1 1 3560 3549 1 2438 6376 5844 3618 3339 1 1 3456 3642 1 1 3084 1 1 1 4236 4205 3033 3053 4102 4061 1 3796 1 2875 1 1 174.0989 *174.1091* C9 H18 O S 1 1 1 1 1 1 11726 12211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4444 4723 6019 6627 2341 1 8255 8112 1 1 1 1 1 1 4632 4810 1 2717 1 1 7355 8062 1 1 11397 11441 5760 6341 5232 1 1 1 1 1 12945 12400 2963 1377 1 1 6222 6211 1 1 1 1 1 1 1 1 1 1 4502 5890 9124 6207 1 1 2478 2949 5863 3184 3579 4523 174.1091 *174.1107* Arginine 4381 4373 4919 4655 4582 4464 7247 7062 9637 9454 6359 6160 5234 5233 6120 5742 6006 6125 4477 4522 3382 3210 7405 7012 7639 7861 4787 4746 2283 1 8065 8225 5179 5307 7526 7870 5869 6517 3424 2991 4432 4022 3611 4166 3324 3025 5600 6082 1 2699 8891 9401 8389 8866 4238 4321 5463 4718 1 1 7510 7815 3302 2843 4586 4307 5195 5565 3152 1 8734 8592 6134 5996 3832 3729 5160 5108 5282 5513 5633 6039 13085 11998 3185 3409 7287 6692 5108 5347 C00062 174.1107 *174.1523* 174.1523@3.8478336 1 1 1 1 1 1 2527 2942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3423 3175 1 1 1 1 1 1 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.1523 *174.9935* C5 H5 N O4 S 5627 5492 1 1 31981 3651 36368 41296 91799 95895 35769 38881 24943 25840 1 1 17282 17215 38378 42539 1 1 50631 44615 12122 12362 1 1 8464 8668 1 1 9229 10402 31056 30804 2883 1 1 1 54107 57935 1 1 4533 5495 31981 31699 22081 22144 1 1 1 1 1 1 1 1 16056 15779 12462 12524 1 1 108942 108267 33918 30630 1 1 10707 10939 70055 68549 19013 19474 20313 20917 2735 1 11464 11001 1 1 57979 57482 32981 32953 1 1 174.9935 *174.9936* 174.9936@1.5260376 1 1 1 1 1 25406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.9936 *175.008* 175.008@10.801821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 4365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.008 *175.0081* 175.0081@11.301754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0081 *175.0085* 175.0085@4.2595034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4626 1 1 1 5652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0085 *175.0095* 175.0095@5.1054826 1 3474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0095 *175.0237* 175.0237@1.7250137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9886 10520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0237 *175.0528* 175.0528@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0528 *175.0617* 175.0617@5.962539 1 1 1 1 1 1 2805 2529 1 1 1 2581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 2862 1 1 1 1 1 1 1 1 1 1 1 1 3394 3372 1 1 1 1 1 1 175.0617 *175.0956* Citrulline 13095 12317 9710 10099 9974 10427 17869 24499 17023 16799 11187 11798 11675 12924 11573 12228 22579 22456 12791 12414 6211 6207 10919 10693 12809 12346 8687 8558 10822 10545 21092 22053 20609 20177 14029 14410 9989 10231 14172 14373 14557 14498 10230 10251 8218 8730 15274 16082 8564 8551 15553 14384 11356 10384 14601 13943 10011 10457 10147 10152 17433 17617 8311 8382 8640 8993 15044 14875 10966 11176 18328 16749 12963 13607 8421 8634 5250 5938 12345 11872 14021 13273 13307 13487 22646 21545 20130 19541 13071 13271 HMDB00904 C00327 175.0956 *175.0957* 175.0957@0.879074 1 1 1 1 1 1 7449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0957 *175.0989* 175.0989@5.1042347 2641 2365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0989 *175.9624* 175.9624@0.86151016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.9624 *175.9636* C4 H Cl N2 O4 271927 271560 309147 310208 338372 337016 324787 321356 336594 346103 337188 336021 346382 344985 365575 366917 345269 344403 365922 361846 368018 365899 376090 377109 335717 339464 353652 350952 325969 325285 390106 391175 364275 365945 341095 345453 350479 351649 372621 370014 356751 360791 365499 363131 368086 361849 376428 375281 368181 371545 404305 405688 364580 366443 382912 384897 412919 417052 369734 368006 330192 334872 334076 334434 408487 403427 400785 400238 406272 409734 388759 388760 365968 370903 400445 405059 398605 397870 396552 391004 380310 374083 349562 351284 397308 392997 386779 392716 374235 375562 175.9636 *176.0307* 176.0307@6.636181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4339 4263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0307 *176.0308* 176.0308@6.4564123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0308 *176.0311* 176.0311@2.8777223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3163 2344 176.0311 *176.0313* 176.0313@8.223463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4430 5290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0313 *176.0314* 176.0314@1.0220977 1 1 1 1 1 1 1 1 1 1 8757 30978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22158 1 1 1 1 1 28328 27587 16638 17844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0314 *176.0315* 176.0315@1.1240608 1 1 1 1 1 41233 33595 1 1 18362 14965 1 1 1 18777 1 1 21424 24063 29172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66922 1 1 1 1 1 1 1 1 1 1 16301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18197 1 1 1 1 22751 20791 1 1 1 1 1 1 1 1 1 1 1 1 35168 33408 1 1 176.0315 *176.0319* 176.0319@6.7216005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12351 14142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0319 *176.045* 176.045@0.9736462 1 1 3693 4400 1 4019 7227 7281 2606 1 1 1 1 1 2918 1 1 1 3150 1 1 1 1 4074 1 1 1 1 1 1 3572 3322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3432 4752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.045 *176.058* 176.058@3.4817977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5089 5794 1 1 1 1 1 1 1 1 1 1 176.058 *176.0741* C5 H12 N4 O S 4661 4732 5000 5291 6213 5806 5783 5695 5968 5942 5784 5716 5920 6474 7207 7083 6153 6136 6782 6823 6722 6764 6881 6984 6102 6075 6874 6557 6276 6079 7915 7191 6911 7223 6509 6586 6269 6879 7001 7123 6810 6774 7042 6350 6721 7140 6930 7345 7290 6911 7997 7566 6632 6356 6953 7588 8418 7911 6868 5590 5941 6212 5430 5937 7812 7371 7585 8222 8171 7930 7112 7593 6908 6369 7423 7644 7462 7032 7388 7486 7151 6499 5871 6033 6718 7329 7259 6903 7143 6960 176.0741 *176.0836* 176.0836@8.3932495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2566 2611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0836 *176.1227* 176.1227@0.7883893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 2150 1 1 1 1 1 1 1 1 1 1 1 1 176.1227 *177.0159* C3 H7 N5 S2 1 2881 2891 3344 3170 2814 2953 2715 3869 3999 3274 3173 3249 3168 5317 4942 2997 3162 2313 2356 2517 2303 2852 2957 3821 3238 2453 3027 3470 3183 4842 4614 2203 2182 3200 3036 2860 2861 2719 2764 3350 1 2992 3075 2614 3021 1 2429 4851 4944 3924 3748 3566 3478 3472 3361 4052 3444 4286 4708 3774 3495 2864 2712 3887 3834 2616 1 3497 3585 3931 3984 3121 2823 3576 3396 5103 4748 3761 3893 4316 4829 3875 3521 3999 3956 3450 3446 3298 3156 177.0159 *177.0514* C3 H7 N5 O4 10484 12628 1 1814 11883 13424 1941 16226 14001 12443 12237 12804 12556 1990 15697 13920 1769 12518 10721 13744 1 9289 12084 11827 12770 13373 11853 12425 16022 13375 11626 11591 14282 13829 11072 14563 14836 14027 11758 13801 2943 13529 2587 14596 19145 19071 13489 14176 17962 6088 14717 15066 12663 12579 19176 18652 14064 27986 18685 14545 21544 19860 14605 15053 21072 16651 14024 3469 2151 14216 2187 1889 14306 14555 14594 14588 14156 15124 13857 14664 13486 13487 11299 12075 18549 18801 13730 12431 12759 12053 177.0514 *177.9087* 177.9087@0.82134515 1 1 1 1 1 1 3326 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 1 1 177.9087 *178.018* 178.018@2.7808955 1 1 1 1 1 1 3058 3214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.018 *178.0475* 178.0475@0.9249256 1 1 1 5018 1 1 4247 4294 1 1 1 1 1 1 1 1 5309 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 5667 5234 4646 1 1 1 1 2893 1 3268 3929 4511 3473 4311 4828 1 3170 3605 3642 3496 1 1 1 3465 2795 4207 5348 1 1 1 1 1 1 8252 6436 5663 4690 1 1 1 1 1 1 2771 2952 3127 2988 4989 5945 5541 6104 1 3315 6994 5478 5261 4628 2806 1 178.0475 *178.0489* 178.0489@0.9170324 1 1 1 1 1 1 1 2854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.0489 *178.0619* 178.0619@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.0619 *178.1344* 178.1344@7.2380414 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1344 *178.1351* 178.1351@6.5791807 1 1 1 1 1 1 1 1 1 1 1 1 28782 28895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1351 *179.0114* 179.0114@0.87796587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0114 *179.0577* Hippuric acid 25729 25267 48570 47733 62946 65069 190731 193765 16700 16916 125192 121085 99033 101181 24308 24439 32312 31093 38754 39377 13995 13907 13144 13753 49803 51868 16895 16812 119805 118326 8984 8745 77252 78555 43920 43668 30386 32033 11668 11540 108832 106297 18430 18095 34497 35170 41957 42009 202000 200705 16777 15471 6258 5955 27099 27921 7410 7723 9452 9380 71848 71376 18439 18929 116693 116282 232884 229314 32313 31587 77921 79286 29740 29270 26877 25885 38076 39318 22852 23035 364670 362933 5245 5742 62539 61685 43462 45204 12023 12508 HMDB00714 C01586 179.0577 *179.1705* 179.1705@4.336296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2599 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 2636 1 1 1 1 1 1 1 1 1 1 1 1 5309 5186 1 1 1 1 1 1 1 1 179.1705 *179.212* 179.212@4.340673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 179.212 *179.2161* 179.2161@4.3377814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 179.2161 *179.9556* 179.9556@0.7911219 1 1 1 1 1 1 6901 6898 1 1 1 6715 1 1 7037 7497 1 1 1 1 1 7514 1 1 7238 1 1 1 1 2682 8096 1 1 1 1 1 1 1 1 1 7797 1 1 7515 7851 1 1 1 1 1 1 1 1 1 1 1 1 1 2087 1 1612 6544 1 6471 8341 1 1 1 1 1 1 1 1 1 1 1 8603 8383 2465 8038 1 1 1 1 1 7596 1 1 1 1 179.9556 *179.9558* C6 H6 Cl2 S 5437 5923 6434 6300 6857 6688 1 1 7162 7361 5509 1 7233 7142 1 1 7036 7289 7380 7278 7637 1 7612 7844 1 6921 6972 6779 6832 3779 1 8025 6307 7696 7261 7123 7028 7027 7777 7502 1 7958 7081 1 1 7577 8232 7383 7111 7746 8505 8499 7472 7376 8049 7395 8028 8931 5223 7547 5695 1 6634 1 1 7732 7840 7686 8294 8023 7591 8215 7872 7848 7829 8066 1 1 5589 1 7800 7312 7960 7213 7887 1 7969 7729 7809 7652 179.9558 *180.019* C12 H4 O2 50852 42809 1 1 1 1 13201 12657 16545 13876 6367 28916 4405 4134 1 2403 3443 4019 15503 15168 16809 16374 10850 10316 1 1 1 1 1 1 1 1 1 1 19875 7147 1 1 4580 4713 6546 6504 1 1 8165 8425 1 1 1 1 1 1 1 1 1 1 5875 5389 4701 4335 1 1 1 1 1 4374 4386 4355 4070 4215 1 3810 1 1 1 1 1 1 1 1 1 1 4195 4398 1 1 8894 7739 1 1 180.019 *180.0191* 180.0191@5.4812245 1 1 1 1 1 1 1 1 1 1 4614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0191 *180.06* 180.06@0.93144256 1 1 1 67024 1 1 2870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103596 1 1 1 1 5618 133586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139425 1 1 1 1 1 1 1 1 1 1 1 1 1 180.06 *180.0604* 180.0604@0.8579453 1 1 1 82315 1 1 1 1 1 1 1 1 1 1 1 1 78977 1 1 1 71326 1 1 74627 138296 102628 101472 112992 1 1 1 1 1 101118 1 1 1 1 1 1430 1 1 1 1 1 1 1 61176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1 1 1 1 1 90140 1 180.0604 *180.0631* D-Glucose 36289 1 23470 24817 1 1 65332 2007 1 1 23122 1 1 1024 1055 1 191414 1 1 10062 136868 1 1 180049 128192 153775 147897 31444 1 14466 47878 45228 39494 50197 1 1 1 286850 30933 28890 1 1 1 1 1 1 1 253330 1 1 1 1 1 1 1 1 1 47778 1 1 280794 1 323182 59136 58815 1 1 379659 1 1 1 1 1 1 1 27155 206342 1 1 1355 44858 48451 1 1804 1 2331 1 1 413186 1 HMDB00122 C00031 180.0631 *180.0641* b-Glucose 12162 12574 1 1 24987 29502 5739 11404 8444 12446 17157 24755 14284 15743 21969 15427 1 1 21202 21151 3184 3423 68933 67633 13339 5851 21617 22254 33175 25830 12642 12289 39919 47164 22132 21891 34264 35460 12814 13086 28029 27783 25522 26462 12575 19871 36863 44950 11988 12334 19450 18535 31344 30898 1 1 5577 5455 34190 34665 2715 1 1 1 19467 20478 34863 35398 20559 21480 39675 30708 4499 4269 15325 11699 1 1 1 1 30867 43048 16779 16295 62532 54012 10160 9416 21327 15712 HMDB00516 C00221 180.0641 *180.0659* 180.0659@0.8319672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 180.0659 *180.0773* 180.0773@8.182273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3127 3267 4227 4247 1 1 1 1 1 1 1 1 180.0773 *180.1145* 180.1145@7.1883187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1145 *180.1738* 180.1738@0.88014746 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 2733 1 1 1 2363 2052 1 1 1717 3588 2596 2566 2036 1646 1 1 1 3033 3037 1 4242 3719 1 1 1 2670 8616 7839 1 1 1 1 2685 3909 4476 2215 1 1 3230 1 1 1 3038 1 1 1 4558 4262 4050 5332 1 6951 1 1 4145 3294 1 2041 1 1 1 5115 1 1 3083 1 1720 1 1 2231 1 1 6360 1967 180.1738 *180.1759* 180.1759@0.89515877 3149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 2638 1 1 1 1 1 1 3976 180.1759 *181.059* 181.059@2.842193 1 1 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 2416 2338 2740 1 1 1 1 1 1 1 1 1 1 2029 2196 1 1 1 1 2187 2519 1 1 1 1 2366 2729 1 1 1 1 1 1 1 1931 2003 2007 1 1 1 1724 1 1 1 1 1 1 8144 7285 2497 2646 1 1 3906 3640 3208 2851 1 1 181.059 *181.0642* 181.0642@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0642 *181.0644* 181.0644@0.8644649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6334 1 1 1 1 1 1 1 1 1 1 1 6135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0644 *181.0648* 181.0648@0.8914174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15292 1 1 1 1 1 1 20329 1 1 1 1 15526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4459 1 1 1 1 3209 1 1 1 1 1 1 1 1 1 1 25117 18422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0648 *181.0733* Tyrosine 57923 65098 73805 73236 78415 88338 35932 32201 50356 68709 60405 53491 136432 82560 82136 70637 60134 61230 57371 61203 52222 90445 57196 53780 131459 69502 137534 139195 150725 78354 65821 123484 50093 59937 106967 54120 139767 140465 112493 62816 60191 57907 118211 97564 66190 53723 83580 60942 213132 206376 54646 106704 61606 68525 131448 79238 100256 1 1 61587 102655 96891 51439 64867 132783 129381 82991 86556 1 1 208758 1 133285 1 1 1 102298 49651 1 1 96109 171759 1 185779 1 1 92369 86724 1 1 HMDB00158 C00082 181.0733 *181.0733* Tyrosine - 1.7685826 50604 59265 57106 55450 66588 66862 20350 26280 64698 40925 43846 4736 1 57317 75059 86835 68751 53102 53362 52484 36068 1 53099 39619 1 47051 1 1 1 61153 49990 1 53118 44481 1 52161 1 1 1 51133 47112 56704 70942 90445 61819 61416 65562 74341 1 1 59954 1 54366 59885 1 54590 1 101912 50788 59693 108510 117404 41048 34646 1 1 65372 62642 117386 116726 1 203669 1 127765 108649 110726 1 62909 131456 134296 80107 1 184571 1 168684 160235 77936 85886 116844 116730 HMDB00158 C00082 181.0733 *181.0734* 181.0734@1.8199759 1 1 1 1 1 1 1 1 1 1 27582 1 1 1 1 1 1 1 1 1 1 1 1 5296 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6293 1 1 1 1 5619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0734 *181.0737* 181.0737@3.35035 1 1 1 1 1 1 4473 4519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 2387 181.0737 *181.1096* 181.1096@8.161949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3483 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.1096 *181.9211* C4 H Cl3 N2 3861 1 5224 4948 5991 5678 13900 13552 5852 6022 5013 4835 3262 1 5733 5673 1 4263 1 1 4661 4802 5086 5196 4439 4141 4206 3983 4157 1 5071 1 1 4653 4681 4517 3478 1 4501 1 1 2894 1 3859 3554 3810 3532 3968 4234 4132 4900 4904 1 1 1 1 6676 6046 1 1 3556 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 3386 4977 5034 9014 9587 1 3895 5011 5298 6588 6499 5948 1 2329 1 181.9211 *181.9793* C6 H2 N2 O3 S - 0.8598849 16397 17745 1 16380 13559 12673 15337 15115 12361 13267 15607 1 13784 13734 14056 13694 14271 15330 1 16986 15269 16056 14572 15323 14907 1 17900 1 15692 16063 13893 14305 1 15914 13984 13516 15989 15901 18472 17511 15976 15773 16916 16452 14502 1 15674 1 14949 14775 14282 15070 1 12266 14368 15458 12833 13230 13654 14148 14757 15958 13621 13711 13580 12728 16141 17172 14405 14206 17677 1 16299 15216 15848 14486 17829 16551 15072 14779 32528 15526 15375 14256 14440 14520 14890 15944 12097 14768 181.9793 *181.9799* C6 H2 N2 O3 S 19100 18280 31992 18702 19519 18756 17577 16460 18380 17056 18433 33651 18717 18019 17603 19064 19156 18012 1 17249 19959 20319 19989 19534 20381 34503 17614 33790 19710 19204 20002 20015 33014 19492 18376 17935 18859 19520 16791 18171 18833 19346 18074 17301 19498 18755 18855 1 19751 19315 18610 19638 31782 21116 21299 20474 19511 19234 19870 21903 20037 19308 18759 21211 20722 19671 21225 20613 18613 20472 20370 21430 20269 20801 18433 19861 19444 18068 18359 17691 2869 19131 17051 17770 20206 19707 18407 16433 20652 19340 181.9799 *181.9805* 181.9805@0.9007751 1 1 1 1 1 1 1 1 1 1 1986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2329 2814 1 1 1 1 2053 1 181.9805 *182.043* 182.043@2.7981355 4910 5056 1 1 4323 4735 8002 7267 1 1 2903 4182 1 1 3498 3542 1 1 8652 8152 1 1 1 1 1 1 1 1 1 1 6028 5916 4969 4848 1 2369 1 1 1 1 2922 2929 1 1 1 1 3030 2639 1 1 1 1 1 1 1 1 3626 3865 1 1 1 1 1 1 1 1 2917 3206 1 1 4941 5119 1 1 2273 1 1 1 3569 3658 4100 3981 1 1 5381 5439 1 1 3137 2969 182.043 *182.0431* 1-Methyluric acid 10146 9973 1 1 8696 7941 30260 30344 4941 3640 17014 14990 8401 7712 8085 8655 1 2236 6733 6742 1 1 12529 14352 2029 1 7504 7731 8041 7921 5183 5073 10057 9972 6334 7052 5181 4861 4807 4766 15934 16745 8092 8519 6906 5973 8069 8422 3400 3465 8064 8647 4672 5084 2916 2972 7379 7396 3229 3659 1 1 1 1 5086 4279 13568 14286 6431 6226 15423 15717 2221 2202 2651 2660 1 1 3720 3484 16300 16892 3577 3399 35646 34139 7500 6643 5725 5381 HMDB03099 C16359 182.0431 *182.0573* ,4-Dihydroxyphenylpropionic acid 1 1 7216 11732 5837 1 5270 1 8756 1 7934 1 1 1 1 11201 5523 5862 1 1 3752 3918 1 1 1 7690 1 1 1 7617 1 1 6832 1 4129 3910 7962 7283 1 1 5539 5207 1 1 7318 1 8775 1 7001 6216 1 1 5240 4908 6113 5751 6127 5547 1 1 6957 7153 5387 5471 4310 4409 8003 8467 4249 4888 1 8990 5613 5016 1 3010 4674 4975 10179 9425 12813 1 1 1 1 8101 10606 10848 1 5330 HMDB00423 C10447 182.0573 *182.068* 182.068@0.8766103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4921 1728 1 1 1 1 7452 1 1 1 1 5192 1 1 1 1 1 1 1 1 1 1 4313 1 1 6199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4688 1 1 1 1 1 2350 1 1 1 1 1 1 1 182.068 *182.072* 182.072@0.87221646 7942 1 3911 3163 6654 1 2170 7734 1 1 4156 1 1 1 8880 10354 1 1 2808 1 5270 4917 1 1 1 1 1 1 5272 1 5377 1 1 1 1 1 1 3155 1 1 1 1 1 1 1 5184 1 1 5691 5296 1 16259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4917 1 1 1 4231 1 1 1 5995 5144 1 5060 5455 1 1 1 1 1 2154 5294 1 1 1 182.072 *182.0762* 182.0762@1.7307173 11510 1 1 1 10117 1 1 1 2180 6040 1550 12827 1 1 1 1 1 11686 1 1 3979 1 1 9601 1 11984 1 1 1 5246 6121 1 10829 6505 1 1 1 1 1 1 6462 1 1 1 1 11437 1 13281 1 1 1 6693 11315 1 1 1 1 1 11556 13069 1 1 1 1 1 3885 4649 1 1 1 1 1 1 1 1 1 7166 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0762 *182.0764* 182.0764@0.88968045 1 8225 1 1 10356 18097 4800 1 1 1 4978 11144 3540 5262 14147 13415 1 1 4818 7466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16779 13003 1 1 1 1 15864 50152 1 1 1 1 1 1 1 1 1 1 1 1 27229 29001 14867 9934 1 1 12510 8891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0764 *182.0767* 182.0767@1.7864866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3225 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0767 *182.0786* 182.0786@0.89999783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0786 *182.9728* 182.9728@0.86795145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.9728 *182.9806* 182.9806@7.033794 1 1 1 1 1 1 1 1 109698 111161 85985 89062 15715 16418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 226146 219077 1 1 1 1 9625 9114 29576 29708 1 1 1 1 3623 1 1 1 1 1 1 1 1 1 1 1 1 1 164852 1 54415 54246 1 1 1 1 297230 1 1 1 12003 12043 1 1 1 1 4034 1 1 1 1 1 1 1 182.9806 *182.9812* 182.9812@7.0376334 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3585 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3364 1 1 1 1 1 1 1 3448 1 1 1 1 1 161753 1 1 1 1 1 1 1 280511 1 1 1 1 1 1 1 1 1 4062 1 1 1 1 2735 1 182.9812 *182.9983* 182.9983@3.4679236 1 1 1 1 1 1 1 1 7393 7583 1 1 18451 18824 1 1 1 1 5539 5984 1 1 32602 34054 1 1 3453 3340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 1 1 42372 42218 1 1 1 1 1 1 1 1 176260 173693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3157 3278 1 1 5655 5864 1 1 1 1 182.9983 *182.9985* 182.9985@3.652464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3926 3999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.9985 *183.0346* 183.0346@4.5699067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 2129 183.0346 *183.0351* 183.0351@3.1311016 1 2927 1 1 1 1 6886 6217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8286 8612 183.0351 *183.0352* 183.0352@3.835888 1 1 1 1 1 1 3819 4046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 2928 183.0352 *183.0505* C4 H13 N3 O S2 1 1 1 1 2917 2851 3661 3952 4077 3917 1 1 1 1 1 2372 3041 2887 3129 2940 1 1 3204 2798 4153 3737 1 1 3312 2372 2611 2726 3365 3604 3256 3503 3918 3446 2196 1 3130 3208 1 2677 1 2113 2446 2761 2968 3351 4172 3684 2384 1 1 2655 1 2604 2734 2826 3696 3403 1 1 1 1 3118 3294 2203 2352 1 1 1955 1932 1 1 3045 3035 3170 3358 3133 3162 1 2798 3017 3052 4378 4283 1 1 183.0505 *183.0525* 4-Pyridoxic acid 4319 5137 8561 9050 12025 12395 22401 22683 13298 13197 25735 25023 14754 14770 4957 4532 6906 7293 17556 16949 20469 21973 23777 23769 3676 3333 11720 12081 2715 2576 2900 2932 8776 8828 3968 3789 2856 2453 9930 9961 8281 7581 5317 5914 9349 9316 7276 7025 5169 5392 16631 16129 4175 4167 9342 10248 42460 41370 4420 4160 7143 7554 4740 5000 14809 14058 12180 12236 23236 23318 7715 6900 8595 9026 68068 71257 5673 6285 130633 133950 17476 16681 2645 23805 23796 23196 9356 10226 197132 197050 HMDB00017 C00847 183.0525 *183.0527* 183.0527@2.8334994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21855 1 1 1 1 1 1 1 183.0527 *183.0595* 183.0595@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0595 *183.0953* 183.0953@7.032934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3777 4077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0953 *183.1671* 183.1671@2.834717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 1 183.1671 *183.995* 183.995@6.013807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10192 10984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.995 *184.0039* 184.0039@1.2199382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0039 *184.0109* 2,4-DINITROPHENOL 2344 1 2290 1 1 2514 1 1 1 2614 1 1 1 1 1 1 2955 1 1 1 1 1 1 1 1 2578 2342 1 1 1 2518 1 2526 2525 2808 2356 1 1 1 1 1 1 1 1 2637 1 2473 1 1 2467 2746 2499 1 1 1 1 2681 2605 1 1 1 1 1 2417 2423 2405 1 2448 2370 2414 1 1 1995 1 2588 2484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0109 *184.0218* 184.0218@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0218 *184.0364* 184.0364@3.920217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 3470 1 1 1 1 184.0364 *184.1089* 184.1089@6.9877334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5915 6102 2747 2190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2326 2350 1 1 5002 4189 1 1 184.1089 *184.1346* 184.1346@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1346 *184.1456* 184.1456@8.196534 1 1 1 1 1 1 4011 4055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 2906 1 1 3354 3364 9878 9912 1 1 1 1 1 1 1974 1 1 1 1 2085 2240 1 1 1 2873 2832 2751 3147 1 1 2648 2469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 2613 1915 1 2835 3221 1 1 1 1 2174 2643 184.1456 *184.1828* 184.1828@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1828 *184.9759* 184.9759@7.0707917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.9759 *185.0658* C3 H11 N3 O6 2865 2925 2563 3272 1 2798 1 1 2860 2908 1 2389 2586 2612 3195 3198 3013 3185 3183 2917 2929 2793 2734 2877 4150 3997 2682 3014 3336 3599 2268 1 2829 3017 3019 3122 3451 3544 3040 2563 2554 2790 4949 4910 3325 3362 4023 3467 3745 3912 2870 2995 3083 3552 3712 3191 3632 3645 3323 2772 3730 4185 1 2078 3724 3387 2951 3017 3154 3390 1 2415 2649 3081 3541 3505 4263 4540 3466 3154 3328 3395 4347 4418 3436 3242 3423 3857 2720 2456 185.0658 *185.1047* Ecgonine 1 1 3284 2853 2741 2761 3019 2632 2142 2383 2000 2520 1978 1910 2560 2749 2332 2396 1 1 1 1 1 1 3259 3204 1 1 1 2228 3583 3255 1 1 1 1 1 1 1 1 2538 2661 4724 4706 3960 4317 1 1 2865 2522 2515 1 2392 2398 2262 2735 4035 4209 2787 2648 3128 3340 1 1820 1 1 4070 4007 3730 3452 3124 2843 3187 3399 1 2660 3025 2878 1 1 1 2437 3342 3436 2358 1 2849 2375 3507 2740 185.1047 *186.1048* 186.1048@8.387531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376571 370332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871688 866444 1 1 1 1 1 1 1 1 1 1 1 1 10791 10564 1 1 1 1 123643 122376 1 1 1 1 1 1 1 1 1 1 1736586 1772049 1 1 1 1 1 1 1 1 1 1 6197 5661 1 1 1 1 1 1 1 1 1 1 1 1 186.1048 *186.1244* 10-oxo-decanoic acid 1 1 1 1 1 1 3952 4232 1 1 4114 3712 1 1 3949 3570 1 1 2583 1 1 1 1 2233 1 1 1 1 6763 6673 1 1 3739 3530 4071 4265 3385 3855 3668 3300 6638 6689 1 1 4448 4289 5485 5652 3222 16545 3537 3281 1 1 2467 1 4343 4825 3050 2925 21824 20636 3907 4270 1 1 11964 11865 4556 3876 1 2183 5311 5626 3273 2929 1 1 5036 4429 3646 3308 1 2246 3489 3512 10265 9874 5476 5048 186.1244 *186.1252* 186.1252@8.055833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1252 *186.2188* 186.2188@8.386053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6693 5671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.2188 *187.0444* 187.0444@0.87443256 1 1 1 1 1 1 1 1 1 1 1 4318 1 1 5289 1 1 1 1 1 1 1 1 1 1 4885 3573 1 4580 1728 4586 1 1 1 3485 3378 1 3595 1 1 1 1 1 3606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3948 4303 1 1 1 1 3106 1 1 1 1 4753 1 1 1 1 5240 5379 1 1 1 1 3793 3954 1 1 1 1 3630 1 187.0444 *187.0455* C8 H13 N S2 3662 3315 4369 3863 1 1 1 6017 4687 4383 3109 1 3866 3846 1 5416 3640 1 1 1 1 3187 3487 3857 4190 1 1 3426 1 2386 1 5220 2570 1 1 1 3453 1 1 3121 4202 3843 1 1 1 1 1 1 5550 4332 3760 1 1 1 4048 4011 3590 3694 4916 5114 1 1 1 3089 4672 3822 1 1 3665 3974 4873 1 3612 3393 3960 3630 1 1 4368 4199 4820 4756 1 1 4529 4072 3979 4198 1 3645 187.0455 *187.0516* 187.0516@3.134204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 1 1 1 1 1 1 1 1 1 1 1 187.0516 *187.0517* 187.0517@3.2052474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3506 1 1 2644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0517 *187.0519* 187.0519@2.7721884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7387 1 1 1 1 1 1 6666 3844 1757 1 1 1 1 1 1 1 1 5838 8177 1 1 3824 5464 3594 4811 1 1 1 1 6764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5157 1 6746 1 1 1 1 1 1 1 187.0519 *187.052* 187.052@2.9039664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 2757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2326 1 1 1 1 1 1 1 1 1 187.052 *187.052* 187.052@1.8684273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5060 1 1 1 1 1 1 1 1 1 1 1 1 7173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3227 1 4947 1 1 4454 1 1 1 4929 1 1 1 1 1 1 1 4433 1946 1 1 187.052 *187.0521* 187.0521@2.728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0521 *187.0521* 187.0521@2.8075187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7602 1 1 1 1 1 1 1 1 187.0521 *187.0523* 187.0523@2.3229282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 3237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0523 *187.0524* 187.0524@1.3427402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117259 1 1 1 1 1 1 141121 1 1 1 1 1 47691 1 77262 1 1 167682 1 1 85790 1 1 1 1 1 82082 1 1 1 126819 1 1 102215 1 103088 1 1 64788 1 1 108303 1 1 1 1 1 96576 1 1 1 1 1 1 109135 1 1 1 1 1 1 1 1 1 122771 1 142296 1 53941 1 1 1 1 187.0524 *187.0524* 187.0524@1.4050303 1 1 1 1 1 33092 1 1 1 1 83594 1 1 1 1 1 1 1 113114 1 1 1 1 1 1 1 1 1 1 76922 1 1 1 1 1 1 1 85114 72565 1 1 1 1 38564 1 1 1 57405 64246 1 1 1 17023 1 1 17211 1 1 1 1 1 15291 75803 1 37761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46137 72046 1 1 1 187.0524 *187.0528* C5 H9 N5 O S 340312 340502 311293 307060 1 189129 249916 258221 1 207094 221912 299669 251988 251146 1 317403 146623 249806 230358 339846 341091 349795 278375 134420 342452 344546 401083 399863 369568 253015 1 107695 292087 269652 60817 1 288628 117309 179725 293722 252102 255196 265646 138031 277871 271746 249686 68606 152110 216118 87363 195112 55918 213158 233804 151353 223883 223210 126949 238452 239728 216503 127364 194309 96225 1 1 226564 214573 215880 217437 100789 208896 212793 179481 182796 219690 212559 250870 244304 239829 123229 172736 28703 217284 117962 154080 223335 1 1 187.0528 *187.0536* C5 H9 N5 O S - 3.6418865 1 1 1 4744 1 1 1 1 1 1 1 2678 1 1 2786 1 1 1 3096 2863 2787 3598 1 3352 3133 2818 4508 3325 4288 3505 1 2867 2777 4136 1 1 1 3745 4076 5511 1 2687 4679 4152 2876 3773 3887 3286 3234 3274 2661 1 1 1 2993 3205 1 3437 1 3417 1 3337 1 2870 1 1 1 1 3693 1 1 1 1 3421 1 2859 1 1 1 1 3830 3714 1 3381 1 1 3343 1 1 1 187.0536 *187.0617* 187.0617@4.080495 1 1 3681 3465 1 1 3837 4411 1 1 1 1 1 1 13136 12064 3138 3254 15286 15545 1 1 2723 2813 1 1 1 1 4776 5489 1 1 6872 7358 1 1 10486 10329 1 1 1 4467 1 1 3413 3941 1 1 1 1 2933 3359 3779 3153 1 2056 1 1 1 1 4266 4195 1 1 1 1 5315 4488 1 1 1 1 3386 3205 1 1 2277 3078 1 1 2677 1 1 1 1 1 3524 3570 1 1 187.0617 *187.1199* 187.1199@4.7735505 1 1 1 1 1 1 9498 9735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9580 9857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10037 10428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1199 *187.1683* 187.1683@1.2772886 1 3362 2149 3003 1 3049 2006 2858 1 1 3442 1 1 2474 3002 3208 2181 1 3761 2445 3671 4076 1745 1 3909 2249 4176 3913 3376 4371 1 1 1 1 1 1 2608 1705 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1683 *187.2227* 187.2227@8.390274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5101 4877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.2227 *187.9381* C3 H5 Cl O3 S2 3239 4015 5437 4317 4242 4360 7077 6532 5083 4800 4212 5969 3379 3590 4111 4146 3855 3896 3671 3852 4297 3959 4129 3965 3809 3813 3704 4204 2877 3355 3689 4926 1 3788 3696 5248 4397 3864 3118 3623 3161 3301 3182 4063 3259 3268 3050 3138 4092 3385 4155 3866 3823 4536 3052 4033 5605 4904 2254 3908 3148 5061 4076 3631 3787 4284 3999 4074 3574 2537 4754 4838 2805 3665 3218 3399 3555 4860 5567 5748 3948 3360 4302 4406 5259 4818 4152 4254 3816 3174 187.9381 *188.0145* 188.0145@4.8375497 1 1 1 1 1 1 1 211144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259274 1 1 1 1 294078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0145 *188.0148* 188.0148@4.9373603 1 1 1 1 1 1 7391 9340 1 13930 1 1 1 1 1 1 1 10378 25461 1 19579 1 1 28273 1 1 1 1 1 1 1 29434 1 1 1 33730 1 1 1 1 1 1 1 1 1 27959 1 1 1 1 21101 1 1 9607 1 1 1 6076 1 1 1 1 1 1 10286 1 1 1 1 1 1 1 17281 1 1 8311 10607 7887 1 1 1 1 1 1 15896 10479 26747 1 1 1 188.0148 *188.0148* 188.0148@4.9275093 1 1 1 1 1 1 1 25318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0148 *188.0149* C7 H8 O4 S 1362020 1380403 864902 863977 1662044 1682182 3299836 3082550 1763168 1753732 1951070 1920955 1438779 1438011 1434468 1445901 1503741 1460921 2145648 2169507 1564095 1605336 1394639 1365544 2121233 2139000 1471894 1460509 1514017 1512381 1419459 1400400 2033521 2034569 1618626 1609036 1271880 1283632 1304463 1307357 889573 896616 1343769 1345972 2295376 2040014 141664 143306 1423548 1406362 2392983 2696884 624679 617311 1417942 1426584 2249253 2249944 784663 787838 117050 115567 731123 722320 1489275 1500722 1990742 1986410 1216659 1223534 1591887 1576420 1201477 1224032 1013566 997313 1884453 1868229 1890006 1916800 1320842 1320183 896075 884609 2276690 2305035 2963528 2991293 595038 593444 188.0149 *188.0202* 188.0202@4.9878325 1 1 1 1 1 1 1 1 2958 4142 6426 4520 1 6491 1 3495 3890 1 16041 14085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14912 1 1 1 1 4780 1 1 1 1 1 1 1 1 1 1 1 1 1 4881 1 1 4197 1 1 8699 9844 1 1 1 1 4454 5317 7880 1 1 1 1 1 6157 1 1 1 1 1 188.0202 *188.0264* 188.0264@4.9942684 1 1 1 1 1 1 1 1 1 1 4663 1 1 1 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5049 1 1 1 1 1 1 1 1 1 1 1 1 6016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0264 *188.0304* 188.0304@4.9747868 1 7200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 1 1 1 1 1 4314 1 1 1 1 1 1 1 1 188.0304 *188.0348* 188.0348@4.9755473 6948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7090 1 1 1 1 1 3827 1 188.0348 *188.0432* 188.0432@5.081432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 1 1 1 1 1 1 1 188.0432 *188.0434* 188.0434@4.624248 1 1 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 188.0434 *188.0453* 188.0453@5.3182983 1 1 1 1 1 1 1 2301 1 1 1 6149 1 1 1 1 1 1 3648 5063 1 4441 10396 6680 1 1 1 1 6453 1876 1 1 1 3651 1 1 1 1 1 1 1 1 1 1 6934 6743 1 1 1 1 1 1 1 1 1 1 2572 6274 1 1 1 1 1 1 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 3558 1 188.0453 *188.0465* 188.0465@7.7885857 1 1 1 1 1 1 1 1 1 1 24709 26937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23355 23384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0465 *188.0475* 188.0475@3.8862042 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0475 *188.048* 188.048@4.324361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1 1 1 1 1 3860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4943 4542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 2108 3340 1 1 1 1 1 1 1 1 188.048 *188.0483* 1-Hydroxy-2-naphthoic acid - 4.3362813 1 6994 5956 6780 7358 2646 3787 1 4417 1 1 1 1 3208 3631 1 4947 5594 1 7401 6128 1 4202 9168 1 5052 11453 10664 10445 1 1 3644 2925 8044 1 6866 5817 5803 1 1 8281 10843 6386 5069 9429 9484 7073 6802 4782 2568 7796 6095 1 1 5070 5452 1 1 1 1 8205 5472 4744 4169 4261 4857 4593 5826 1 7424 7467 7521 1 5195 1 1 5391 6730 7453 8850 5408 5164 1 1 6994 8373 6805 6498 1 1 188.0483 *188.0483* 188.0483@2.8514771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8144 1 1 1 1 1 1 1 1 1 188.0483 *188.0484* 188.0484@5.3810463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 188.0484 *188.0485* 188.0485@2.8369575 1 1 1 1 1 1 6237 11618 1 1 1 1 1 1 1 5131 1 1 18615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7028 1 1 1 1 1 1 1 12262 1 18693 1 1 1 1 1 1 1 1 1 1 1 1 1 5458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4912 1 1 14850 1 1 1 6185 1 1 1 5461 1 19782 22828 1 14042 188.0485 *188.0485* 188.0485@2.3838048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3417 1 1 1 1 1 1 1 6806 1 1 23126 1 1 1 1 1 1 1 6277 1 1 1 1 30402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5107 1 1 1 1 1 1 1 1 1 1 1 1 3956 188.0485 *188.0486* 188.0486@3.2777746 1 1 1 1 1 1 7246 1 1 1 2785 9826 1 1 1 4370 1 1 1 1 1 1 1 6672 1 1 9985 1 1 1 1 1 1 1 4739 1 8866 1 1 9021 1 1 1 12128 11940 7955 1 1 1 1 1 1 1 1 1 1 8680 6844 1 5632 1 1 9623 7006 3967 6169 1 1 8378 1 1 1 1 1 1 6665 7647 8453 1 1 1 1 1 1 5366 1 7223 8152 1 1 188.0486 *188.0486* 1-Hydroxy-2-naphthoic acid - 2.7467046 1 25316 1 1 1 20377 14925 19682 1 1 11093 1 1 9369 1 15145 1 20357 21558 1 25803 1 1 7879 1 1 1 14619 1 1 14199 1 1 1 22880 1 1 1 14060 1 1 1 14413 1 11715 1 1 1 1 1 16828 1 9566 11250 11550 17690 1 1 16778 8039 1 1 1 1 1 1 14468 12166 15769 18629 1 14085 1 9575 12594 11638 4924 1 16890 1 12067 10244 1 1 16633 1 1 1 14907 3606 188.0486 *188.0486* 188.0486@1.9775155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6288 1 1 1 1 1 1 1 1 1 1 9466 1 1 1 1 1 1 1 1 1 2439 1 1 20212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0486 *188.0486* 188.0486@2.359466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4771 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0486 *188.0487* 188.0487@2.0761323 1 1 1 1 1 1 11663 1 1 1 1 1 1 1 1 3267 1 1 1 1 1 1 1 9454 1 1 18565 1 1 1 1 1 1 1 8568 1 5618 1 1 26783 1 1 1 1 1 1 1 10221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6112 1 1 1 1 1 1 1 1 1 1 1 1 6403 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0487 *188.0488* 1-Hydroxy-2-naphthoic acid - 3.6412473 14525 7677 11573 11882 9794 7931 10433 6199 6314 5360 6211 8150 8203 8134 9193 9128 9899 9510 8070 11482 9117 10832 9290 8709 10659 7870 13177 15112 18500 10976 11424 9009 10740 11375 9557 8899 12551 12127 13959 19554 12096 15195 13414 11595 13257 15679 16434 12793 9795 11771 9221 9812 10709 8825 9494 9943 12525 12792 12665 11962 10322 9773 12121 11343 9642 9397 9755 10693 9860 10058 4696 3296 12948 10885 8854 9831 11001 12734 13024 10249 14042 16675 12091 8860 9912 9509 11368 11196 11129 10504 188.0488 *188.0488* 1-Hydroxy-2-naphthoic acid - 3.09768 1 1 1 1 1 5181 12427 6291 1 1 1 1 1 1 1 5997 1 5104 4471 1 1 1 1 2938 1 1 10506 25131 1 1 1 1 5849 1 7478 1 5218 8804 1 7654 1 9469 1 6390 9127 1 15074 9834 1 1 1 1 4663 1 6284 7285 5127 7122 8452 9832 1 1 4642 5116 3633 3568 17114 4805 6469 1 1 1 6915 1 5996 4351 3813 6983 7332 26647 13251 13075 1 8183 13407 1 10077 5806 1 1 188.0488 *188.0488* 188.0488@1.6165453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13438 1 1 1 1 1 1 1 1 1 4153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18629 1 1 1 5580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0488 *188.0488* 188.0488@1.8350807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12985 1 1 1 1 1 1 1 1 1 1 22096 1 1 1 1 1 1 1 10738 1 11422 1 1 21075 1 1 1 1 1 1 1 12130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6144 1 1 1 1 1 1 1 1 1 1 1 1 13073 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0488 *188.0488* 188.0488@1.8892826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 6522 1 1 1 1 1 1 1 1 1 1 1 6881 1 1 1 14271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0488 *188.0489* 1-Hydroxy-2-naphthoic acid - 1.4369344 1 178468 76666 1 54769 114233 1 22677 1 1 227914 176206 1 1 1 104564 95630 110560 67092 100764 72032 119009 1 1 72365 100510 70673 160197 103485 80578 1 1 79862 143245 1 76492 71572 1 83049 1 84132 105416 177790 68450 60281 100442 100677 1 196626 1 1 1 1 1 1 1 1 1 123982 140657 110229 1 1 3452 82513 1 1 167962 1 135238 157043 1 167474 62374 82430 71478 58468 1 97875 136468 26343 117047 1 38058 1 56013 1 135948 1 87874 188.0489 *188.0489* 188.0489@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0489 *188.049* 188.049@3.5525444 1 1 1 1 1 2651 11668 10470 1 1 6355 1 1 1 1 1 1 1 1 1 1 1 1 8687 1 1 1 1 1 1 1 1 1 1 6410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7391 1 1 1 1 1 1 1 7986 8031 1 1 1 1 1 6671 1 1 1 1 5969 7630 6689 1 1 1 1 1 1 1 9897 1 1 1 188.049 *188.0491* 1-Hydroxy-2-naphthoic acid 192843 1 504438 230989 181262 1 1 139963 240487 222219 216919 1 1 1 1 1 1 1 262791 481354 524623 500450 185080 1 287334 265785 435088 488336 559677 433767 249978 1 317724 1 1 337294 303475 1 646775 283893 292440 1 1 291471 491224 1 1 1 345137 397210 186311 1 292748 1 327378 153746 1 206455 1 1 1 1 302942 2797 104205 237399 452004 1 358506 1 1 169143 1 245297 268441 124014 474789 231587 1 1 189201 1 1 218638 1 295256 440820 154656 1 333915 188.0491 *188.0497* C8 H12 O3 S - 1.3087561 1 1 1 490245 414571 552814 1 408346 1 1 1 1 1 1 1 1 546252 1 448764 1 1 1 429851 1 1 1 100438 1 1 478716 1 468664 1 1 565693 1 1 1 1 1 1 502639 1 1 1 1 1 1 523944 1 261479 1 1 508879 1 383388 1056659 1 1 1 1 1092080 1 946947 686545 620077 1 1 667043 633196 863021 569164 672731 715780 521037 328527 1 584231 758100 678267 961809 585894 826512 560124 1022929 688093 1 471696 1006747 581518 188.0497 *188.0498* C8 H12 O3 S 960260 944979 928940 798362 749720 724602 1195213 662071 720651 724167 954883 837342 1176488 1189720 1480043 979537 638807 786604 853081 1040369 1066724 1050037 716781 1329737 1264688 1199978 1305392 1270606 1120757 739193 678473 405427 963973 768413 512363 631705 989814 1312838 702413 774968 836078 610931 767552 856239 771441 928692 674838 1191882 7209 637905 449467 916395 710665 481335 801192 590981 1 601629 652531 664410 665320 1 661857 1 1 1 606248 527084 1 1 1 1 1 1 1 339075 506168 1 1 1 1 465267 1 1 1 1 586253 297747 1 1 188.0498 *188.0747* 188.0747@0.9256957 1 1 1 1 1 1 6028 1 1 1 1 1 1 1 1 1 1 1 1 7037 1 1 1 1 1 1 1 1 11352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0747 *188.0786* C7 H12 N2 O4 1 1 1 6519 7494 7893 1 1 1 1 60596 1 7731 8481 68227 53150 6981 1 47290 1 1 7139 1 7006 8687 1 56431 1 1 1 65051 6922 60445 41951 58128 62172 1 8131 1 1 46328 1 71100 87764 10472 65349 64163 60211 8686 61528 1 65024 61437 61103 58535 59532 56760 1 10129 74342 1 1 1 1 68212 63930 66255 67884 64072 64356 64964 9395 72912 1 63045 1 1 1 1 1 59906 56311 70698 1 65589 1 64534 67212 78725 72511 188.0786 *188.1023* 188.1023@5.338745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2761 3267 188.1023 *188.1034* 188.1034@5.7681093 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1034 *188.1036* 3-Methylsuberic acid 6011 6169 6443 6641 7726 7863 8727 9224 5540 5797 7017 8196 6688 6900 7657 7279 6867 5916 7448 7702 5944 6420 8243 8145 6234 6250 7957 8228 7031 7628 6990 7107 7545 6968 8047 7540 8799 8365 10027 9775 7108 7397 7002 6905 7081 7878 7321 8311 9171 9306 6960 7952 13088 12070 6953 7686 6974 4670 5084 4404 8210 9081 6994 5595 5793 5373 5603 5139 5143 5428 5618 6832 4921 5106 4703 5188 5235 5772 6348 6977 5081 4847 5096 5703 7035 6263 6605 5972 5114 4918 188.1036 *188.1136* 188.1136@1.2279648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1136 *188.1281* 188.1281@4.8097816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14154 13473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11791 11423 188.1281 *188.1401* 10-hydroxy capric acid - 8.739356 2157 1 1 1 1 1 3427 3329 1 1 2777 2852 1 1 3293 2714 5215 5349 3177 2450 1 1 3312 3305 1 1 1 1 6570 7519 2962 3552 4019 4349 1 1 3904 3796 3336 4000 4589 3944 1 2003 4174 3592 3897 4102 11437 10918 3160 3297 4232 3624 1 1 1 2916 2646 2908 7238 7743 3238 3098 3787 3908 8306 7867 4719 4478 2414 2615 10057 9286 3073 2931 1 1 3815 3534 4317 5022 3214 1 2432 3180 3910 3778 3915 4304 188.1401 *188.1403* 10-hydroxy capric acid 3964 3620 1 1 3310 2849 2769 3080 1 1 4021 4065 2480 1 2060 2175 1 1 4478 3742 4752 4762 2398 1 1 1 2597 2605 7818 7306 6405 6612 6582 6639 1 1 5829 5951 7972 7861 2194 1 1 2230 3963 4429 5965 6091 3017 2901 5049 5553 1 1 4094 4261 5542 5833 7324 7651 1 1 1 1 3129 2892 3012 3088 1 1 5448 5938 4793 4907 13300 13710 14007 13563 8100 8315 8549 7468 4473 4278 6485 7068 2679 2375 13000 13953 188.1403 *188.164* C8 H20 N4 O - 1.3844271 1 5777 1 1 4794 6955 3012 5747 2184 3702 1 1 4833 1 4511 1 1 1 1 4662 2140 8101 4403 3981 1 1823 1 1 1 9388 1 1 1 3191 1 1 8193 1 1 2967 6459 1 2906 4280 6692 2277 2204 1 4973 1 1 5164 1 2542 5309 2531 6578 1 1 1 4823 5164 1 1 1 3600 2447 5251 7803 2771 3143 1 1 1 1 1 1 1 1 2454 4453 3128 1 1 2958 2513 1 2499 3059 1 188.164 *188.1642* 188.1642@1.3210884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1642 *188.1643* C8 H20 N4 O 37828 1 1 36401 25238 1 1 1 14396 1 1 1 1 3286 1 1 1 1 1 1 1 1 1 1 1 6425 1 1 45605 4965 15049 11779 1 1 19157 17414 17548 1 1 1 1 1 1 1 1 1 1 1 16527 20709 10687 10579 15299 14224 16037 17104 14313 18349 12586 19649 14056 12094 14891 11992 18742 16478 12946 12569 11803 15988 14064 13751 19371 12150 11830 10743 15396 10436 20272 20312 11851 16319 9358 6154 14207 14843 10947 11652 10900 1 188.1643 *188.1757* 188.1757@4.8087816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4334 4023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3308 3096 188.1757 *188.2104* 188.2104@1.2861558 1 1 1 1 1 1 1 1 4372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 1 1 5131 5824 1 1 1 1 1 1 1 1 1 1 1 4127 1 3497 3920 1 6097 3701 5461 7092 6471 5325 1 4777 1 4612 4984 3213 5165 5419 6545 4757 5979 4323 5450 4238 1 4585 3795 1 1 1 7449 5440 5399 4393 3431 2962 3615 3995 4171 4417 5317 4630 188.2104 *189.01* 189.01@1.182949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3404 3613 1 1 1 1 1 1 2300 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3119 2936 1 1 1 1 1 1 1 1 4775 5003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.01 *189.0101* 189.0101@1.6076123 1 1 1 1 1 3087 5761 5405 16917 16629 1 1 1 3655 1 1 1 1 1 7959 1 1 4386 6538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11828 13905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17860 18661 6879 6994 1 1 1 1 11871 13378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0101 *189.0101* 189.0101@1.9255016 1 1 1 1 1 1 1 1 6286 5694 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4529 5108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8954 8172 1 1 14749 15795 1 1 1 1 1 1 6853 5744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0101 *189.0119* 189.0119@2.6102548 1 1 1 1 1 1 6270 6704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5899 5683 1 1 3534 1 5418 4064 26021 26258 1 1 1 1 1 1 1 1 1 1 1 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17163 14023 1 3240 1 1 1767 1 1 1 10814 10622 189.0119 *189.0139* 189.0139@2.6705608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 189.0139 *189.0182* 189.0182@4.8966494 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0182 *189.0476* 189.0476@1.5719942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0476 *189.0524* 189.0524@1.4214113 1 1 1 1 1 1 1 1 1 1 27504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4280 1 1 1 18940 1 1 1 1 1 1 1 36835 1 2974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24373 1 1 1 189.0524 *189.0534* 189.0534@1.4339749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0534 *189.0548* 189.0548@2.2639732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0548 *189.0696* 189.0696@0.9450467 1 1 7023 6882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0696 *189.0782* Phensuximide 2571 2699 5227 5454 1 1 1 1 1 1999 1 1 1 1 1 1 1 1 2913 2982 1 1 2768 2828 1 1 2143 1 17069 17729 1 1 1 1 5700 5615 3277 3334 1 1 7237 6547 1 1 1 1 3553 4122 2416 1934 3144 2771 1 1 4258 4579 1 1 1 1 1 1 1 1 3758 3521 1 1 1 1 2921 3023 4679 4824 13978 14388 2514 2310 1 1 2109 2634 2605 2407 1 1 3195 3748 1 1 189.0782 *189.1328* 189.1328@4.8054147 1 1 1 1 1 1 6068 1 1 1 2167 1 1 1 1 1 1 1 3037 1 1 1 1 1 1 3555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3261 1 1 1 1 1 3412 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 3002 2351 1 1 1 1 1 1 1 1 1 2931 1 1157 1 1 1 1 2025 2432 3625 1 1 1 189.1328 *189.9786* C5 H3 Cl N2 O4 14627 1 16630 1 17760 1 17725 1 16938 1 17700 1 1 1 19479 18711 1 1 1 18505 19175 19085 1 19298 1 1 18582 1 17698 1 1 1 18959 1 1 1 18750 1 1 19601 18660 19381 1 19049 1 1 20681 1 20119 1 20748 1 18963 20435 20356 1 1 1 19570 1 1 1 1 17058 21398 1 1 1 1 20273 1 20693 1 1 1 20789 1 1 20775 20822 19347 20496 19605 19158 1 1 1 1 19433 17803 189.9786 *189.9928* 189.9928@3.6369293 1 2333 2830 3200 5872 5724 11153 11563 10287 10751 7756 7658 8428 8640 3155 3159 4064 2657 8357 8840 1895 1 10557 1 2664 1 1 1 1 4943 3107 1 1 1 1 1 1 1 1 1 1 18257 1 2206 1 1 1 1 7960 1 1 1 2970 2827 3280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.9928 *189.993* Pyrocatechol sulfate 45463 46408 45051 45469 94762 95740 220194 225533 117638 115612 105053 106072 109840 112259 41757 41601 57983 58438 104532 107205 30913 32710 118714 117029 34096 34096 26752 25110 78519 78758 43665 41973 88190 91206 73737 73515 48421 47349 8115 8493 172749 167726 22726 22126 71062 70384 86431 86875 101616 102483 39372 41669 29677 31028 37521 37530 69147 71532 59379 60268 86006 83886 32992 32448 119206 121333 145620 130593 48847 48837 107814 109830 83696 82669 77380 78132 61321 61758 97015 100882 124043 129033 33933 33766 259202 258817 102298 101275 31288 31655 189.993 *190.0105* 190.0105@4.8521466 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 1 4628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0105 *190.0321* 190.0321@0.97003603 1 1 1 1 1 1 1 1 1 1 7206 7055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0321 *190.0366* 190.0366@0.9740158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0366 *190.0409* 190.0409@0.9705311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0409 *190.0433* 190.0433@0.97079414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3372 1 1895 1 1 4335 1 1 1 2864 3522 1 1 2721 5310 4886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0433 *190.0465* 3-Dehydroquinic acid 1672 1969 1454 1292 1822 1940 1 1 1632 1685 1828 1903 1751 1638 2360 2380 1 1549 1 1508 1 1 1 1 1706 1849 1758 1922 2676 2280 1 1 1792 2102 2200 1845 1883 1 1990 2112 1519 1883 2483 2270 1417 1666 1523 1747 2363 1704 1 1 1 1 1 1903 1 1 1969 2066 1 2893 1775 1949 1596 1675 2224 2192 1852 1975 1 2039 1 2433 1453 1540 1806 1712 1671 1 1802 2118 1635 1 2160 2231 2036 2447 1 1 C00944 190.0465 *190.0491* 3-Dehydroquinic acid - 1.6222234 1 3534 4815 4399 5216 4239 9310 10252 3408 4312 3035 4972 2577 2876 1 1 1 3272 4316 1 1 1 1912 2697 1 1 1 2326 3158 2214 2985 3141 6309 6883 1 6945 5270 4354 5336 8282 1 2975 4595 4683 5637 4156 1 1 3368 5247 6696 6618 2028 5257 4145 5189 1 11750 2487 1 2749 1 5626 6902 1 5434 3839 5152 3965 1 5313 4907 1 11829 1 4262 1 1 1 3939 10411 8878 1 10815 8313 7753 8164 7266 6516 11974 C00944 190.0491 *190.0491* 2,4-dihydroxy-2-heptenedioc acid 1 1 15583 7657 10362 18881 15243 19823 7144 12522 8451 14755 8346 12649 1 1 1 6627 1 1 1 1 5218 3256 1 1 13502 4262 8733 4827 1 1 14828 1 8927 15529 1 1 1 1 1 9824 14876 15340 13667 24398 1 1 1 16141 1 17070 10833 1 15388 17862 1 1 9716 1 1 1 12705 1 26769 13969 12075 10056 18875 1 20786 13649 13709 12191 24241 19310 1 1 28715 15186 35798 34242 10776 41773 38705 10463 13966 34734 1 11862 C06201 190.0491 *190.0505* C8 H6 N4 O2 1 1 1 5894 7611 1 1 1 5198 1 1 1 3679 1 1 1 1 2371 9828 19762 12321 2851 5339 9156 1 1 1 1 2680 1839 10443 18312 7558 1 14909 1 1 14039 20688 8003 16252 4308 5571 1 5849 1 12321 1 5993 7696 4830 6567 2138 8024 1 1 1 1 2076 1 3635 3443 8435 1 1 6947 1 1 1 1 6210 11509 11660 1 1 1 1 1 1 6581 1 1 27573 1 1 1 17109 1 19507 7043 190.0505 *190.0505* 190.0505@1.7683052 7084 10118 1 1 1 1901 1 1 1 1 2575 1 1 1 5373 8624 6404 1 5370 1 1 9150 1 1 7067 3527 1 1 1 2444 6677 1 1 2244 1 1 17915 5538 1 18309 1 1 1 1 2920 1 1 13417 1 3398 4509 3659 3881 8807 1 1 1 1 2883 11751 2218 7525 1 1 1 1 1 2554 1 1 1 2050 1 1 1 1540 2984 4615 1 2997 1 1 1 1 1 4640 1941 1 8913 3484 190.0505 *190.0537* 190.0537@0.9712447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 1 1 1 1 1 1 1 1 1 4255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1922 1 1 1 1 190.0537 *190.0552* 190.0552@1.3697923 4416 1 1 1 1 1 1 3933 3024 2067 1 6619 1 3843 3310 7066 3441 1 5102 1 1 1 6617 1 3496 20486 1 1 1 4324 1 1 1 3980 1 3664 3617 1 1 1 5702 2350 4448 1 1 1 1 1 1 2609 1 1 5547 2734 1 1 3220 1 1 1 4213 1 1 1 1 1 1 2672 1 1 3451 1 1 4207 1 1 1 1 4970 3084 8421 2457 1 1 1 1 2190 1 1 1 190.0552 *190.0557* 190.0557@1.3752731 3783 1 1 1 1 1 1 2557 2280 4222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5543 1 4538 3476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4291 1 1 1 1 1 1 1 1 1 1 1 4682 1 3481 1 1 1 1 1 1 1 1 190.0557 *190.0624* 190.0624@0.958011 1 1 8614 3887 1 1 1 1 1 1 1 1 4787 5779 1 1 1 1 1 1 8280 9035 3998 1 1 1 1 1 1 1 4971 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0624 *190.0664* 190.0664@0.94851786 1 1 1 1 1 1 1 4514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0664 *190.0693* 190.0693@0.9533424 1 1 1 3899 3824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3618 4096 5474 6557 1 1 1 1 2707 1 1 3137 1 1 5644 6826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5789 6646 190.0693 *190.0765* 190.0765@0.9489752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 1 1 1 1 190.0765 *190.0806* 190.0806@0.94390285 1 4759 1 1 1 1 1 1 1 1 1 1 1 1 1 3832 1 1 1 1 1 1 1 1 1 2521 1 1 1 3120 1 1 1 1 1 1 1 2742 1 1 1 1 1 1 1 1 4174 1 2392 1 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 4119 3767 2599 1 3676 4022 1 1 1 1 1 1 1 1 1 1 190.0806 *190.0886* 190.0886@0.93481356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3660 1 1 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 3924 1 1 1 1 1 1 1 4871 1 1 1 1 1 1 2984 1 1 1 1 1 1 1 1 1 2599 1 1 3694 1 1 1 1 4188 1 1 3631 1 4865 4826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5144 4896 1 1 190.0886 *190.0906* 190.0906@0.92392516 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1219 1 1 1 1 1 1 1 1 2370 1514 1 1 1 1 1 1 1 1932 1 1 1 4917 2198 2085 1 1 2552 2414 1 1 1 1 1 1 1 1 1733 1 1779 1 1 1 1 1 1 5099 1 1934 1 1 5342 2696 2129 1 1 5025 1 1 1 1 4843 5432 1510 1 1 1 1 1601 190.0906 *190.1078* 190.1078@3.542955 1 1 1 1 1 1 2794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1078 *190.997* 190.997@3.5981684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.997 *191.0139* 191.0139@4.78 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0139 *191.0261* C7 H5 N5 S 5455 5367 4838 4814 4072 4394 1 1 3223 1 4218 6315 1 3268 1 1 5104 5221 8033 7709 7879 2645 4840 1 5881 6373 6803 7025 4988 4362 7285 6947 1 1 7832 7680 11265 10763 4908 4541 4092 5633 9163 8972 6660 7170 4956 4599 7465 8353 1 1 12412 12501 6436 6366 7516 6711 7490 7327 5055 5502 4668 4712 7279 7525 5980 5786 7392 7941 4197 4061 5806 5428 3698 1 7299 7437 10705 8067 8952 8974 8023 6630 9418 9597 4454 6586 9553 9472 191.0261 *191.0278* 191.0278@0.97297555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4290 1 1 1 1 1 1 2276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 1 1 1 1 191.0278 *191.0375* 191.0375@0.9365218 1 1 1 1 1 1 9384 7097 1 1 1 1 1 1 16950 14715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11811 11348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17739 22393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0375 *191.0386* 191.0386@0.9129978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0386 *191.0429* 191.0429@0.81386805 1 1 1 1 1 1 1 2013 1 1 1 1 1 1 2784 2895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2380 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0429 *191.0601* 191.0601@3.9046254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2446 2398 1 1 1 1 1 1 1 1 1 1 191.0601 *191.0607* 191.0607@3.1348276 2009 1 1 1 3844 4222 3285 3356 1 2639 3611 1 1 1 1 1 1 1 4942 4513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 1 1 1 1 1 4174 3948 2015 1 1 1 1 1738 1 2811 1 1 1 1 1 1 1837 1786 1 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8027 1 4896 5244 1 1 4070 4178 1 1 1 1 191.0607 *191.0615* 191.0615@3.141287 1 1 3657 3568 1 1 1 1 4007 1 1 3803 1 1 4869 4615 3438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 3450 1 1 1 1 3685 3648 3490 3412 1 1 1 1 3557 3542 1 1 1 1 3295 3231 1 3536 1 3155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4239 4193 1 1 4150 4044 1 1 191.0615 *191.0619* 191.0619@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0619 *191.0715* 191.0715@3.1638055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1913 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0715 *191.0781* 191.0781@0.950951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1007 191.0781 *192.0257* 192.0257@8.336815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 2734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0257 *192.0259* 192.0259@6.720102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5003 4242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0259 *192.0261* 192.0261@8.3383255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 2193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0261 *192.0262* 192.0262@2.8681724 3183 3149 1 1 1 1 22277 23781 1 1 1 1 5050 5306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 1754 1 1 1 1 1 1 17249 18910 192.0262 *192.0264* 192.0264@1.4892058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0264 *192.0266* 192.0266@3.4923527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0266 *192.0266* 192.0266@1.4141321 1 1 1 1 1 1 1 1 42704 1 1 1 14209 1 1 1 1 1 1 1 1 1 1 22829 1 1 10236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13673 1 32216 25386 1 1 1 1 1 1 1 1 1 1 1 21792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26506 1 1 1 1 1 1 1 1 1 192.0266 *192.0266* 192.0266@3.14824 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0266 *192.0267* 192.0267@1.2495787 1 1 1 1 1 1 7472 1 92136 1 1 1 1 1 1 1 1 1 1 1 1 1 25586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13501 10123 1 1 1 1 1 1 72514 1 1 1 1 35479 1 1 1 1 1 13767 1 1 43060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56423 1 1 1 1 1 192.0267 *192.0267* 192.0267@1.7079712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7288 1 1 1 1 1 1 1 1 1 1 5511 1 6596 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 4836 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 1 3337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8482 1 1 1 1 1 1 9617 1 1 8005 1 1 1 1 192.0267 *192.0269* threo-Isocitric acid 144413 143397 94997 96280 149159 155014 162809 161110 120908 124664 133592 144909 107073 104372 150249 147043 135392 132554 179455 178306 124049 127853 128316 129115 142011 143226 129444 128462 125726 127360 166432 169348 202313 206426 169999 169827 188351 187949 209464 203661 165323 168712 161172 164519 179547 175786 184476 180146 193975 200697 194708 200607 137477 130495 77284 148909 177687 186158 166688 156147 222391 229173 194372 181956 170457 176518 171475 181787 144190 139114 213828 224205 207991 211870 192796 195005 245082 237455 207906 216782 255138 255173 149462 152177 212839 211489 216502 226321 223216 221414 HMDB01874 192.0269 *192.0272* 192.0272@4.793969 1 1 1 1 1 1 3217 3447 1 1 1 1 1 1 1 1 1 1 1 2246 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2614 2621 1 1 1 1 1 2949 1 1 1 1 1 2079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 192.0272 *192.0275* 2,3-Dioxogulonic acid 503303 515467 440640 435066 568214 589423 490917 508450 475504 616684 580643 600494 452675 458422 623804 635540 484815 511704 689221 649313 593455 564159 540205 534850 537614 578730 428089 418149 611593 590888 837972 806342 860800 871833 675499 638495 793018 796745 703530 702451 591313 601910 607399 581194 662404 701174 603934 629909 899714 861339 985114 857140 680966 676831 675857 683955 748519 789743 684148 628307 825112 854113 722450 719852 653238 656464 595503 629325 599902 649250 794700 798688 820642 805486 882961 900503 954676 921194 899799 860937 902475 921902 929137 934562 860050 840997 807456 798784 850273 936865 192.0275 *192.0293* 192.0293@0.8515656 1 1 1 1 1 1 1 1 1 1 1 2309 1 1 1 3150 1 1 2645 2463 1 2522 1 1 1 1 1 1 1 1 6548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 2440 1 1 2010 2181 1 1 1 1 1 1 1 1 2497 2697 1 1 1 1 192.0293 *192.0305* 192.0305@0.8869204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0305 *192.0366* 192.0366@0.89399815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 8034 10147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 7360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0366 *192.045* 192.045@0.9279823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.045 *192.0509* 192.0509@0.9314822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9052 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0509 *192.0522* 192.0522@0.93010986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13965 8727 10048 1 1 1 1 1 1 1 1 1 1 11359 11033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7607 7420 1 1 1 1 1 1 1 1 7240 10291 1 1 1 1 1 1 1 1 1 1 192.0522 *192.0625* C11 H12 O S 15960 16889 1 1 37704 37112 82253 81507 60118 61846 77005 83854 24554 25829 1 1 1 1 18753 18510 1 1 56296 55556 1 1 1 1 32178 30574 1 1 1 1 27671 27204 30640 27966 1 1 44817 44612 1 1 26212 25697 63195 64665 34820 33447 1 1 1 1 1 1 1 1 18582 15817 1 1 1 1 23503 23459 47020 45688 1 1 35088 34899 41516 40623 28694 27144 1 1 1 1 90979 91017 1 1 121597 117476 25922 33054 1 1 192.0625 *192.0668* 192.0668@0.9469513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 192.0668 *192.0754* 192.0754@5.210907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17651 17784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0754 *192.1146* 192.1146@6.6316824 1 1 1 1 1 1 1 1 1 1 1 1 91233 92260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1146 *192.1428* C7 H20 N4 S 9163 9062 8961 8849 11925 13244 10583 10194 12716 12183 12427 13318 8559 8133 13840 12718 9259 10249 1 1 10573 11318 11397 11627 10893 11413 6977 6962 13381 12887 1 1 1 1 14302 15158 1 1 17422 1 12089 11829 12798 13242 15613 16515 14402 13512 1 1 1 1 13825 13498 15167 15660 1 1 13996 15399 1 1 15200 15787 14670 15348 14067 14710 13394 12944 1 1 5202 1 16748 19171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1428 *192.1428* 192.1428@1.0226839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 1 1 1 1 1 1 1 1 1 1583 1 2751 1 1 1 1 1 1 1 1 1 2740 3705 2646 2863 1 1 1 1 1 1 1 1 2431 1 1 1 1829 2559 2532 2026 2686 2671 1 1 1 1 2979 1 2027 1 192.1428 *192.1902* C14 H24 2297 2633 1 2590 1 3453 3126 3007 3544 3314 3660 3712 2587 2422 3827 3868 2988 2695 1 1 3590 3348 3073 3259 2923 3317 1 1 3483 3587 1 1 1 1 3820 4056 1 1 4503 1 1 3143 3534 1 4069 1 3467 3895 1 1 1 1 3856 3890 4213 4192 1 1 1 4162 1 1 4356 4632 4399 4073 3313 3996 3864 3892 1 1 1 1 6102 5725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1902 *193.0291* 193.0291@1.3848802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0291 *193.0296* 193.0296@1.3734978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3155 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 3275 5309 1 1 1 1 193.0296 *194.0316* 194.0316@1.2660877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0316 *194.0402* 194.0402@0.88099295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0402 *194.0422* 194.0422@0.9064425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3519 5038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0422 *194.0425* 194.0425@0.83349335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0425 *194.057* 194.057@6.1867332 1 1 1 1 1 1 1 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.057 *194.0669* 194.0669@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0669 *194.0933* 2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE 3048 3776 3640 3938 3903 3813 3613 3975 4303 4140 3986 4122 4079 3918 3781 4089 4254 4041 3884 3722 3759 3190 4434 4251 4159 3713 3585 3421 4051 3607 4008 4151 3978 4250 3727 3961 4258 4315 3713 3805 4423 4173 4034 4543 4715 4509 4592 4585 4077 4392 4445 3999 4124 4162 4394 4469 4135 3865 4491 3724 4575 4437 4608 4862 4104 4212 5359 4688 4268 3982 4334 4459 4530 4351 4773 5350 4429 4088 4807 4505 5075 3883 5143 4142 4479 4148 4656 4396 4249 4050 194.0933 *194.0961* 194.0961@6.326025 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.0961 *195.0524* N-Acetyl-5-aminosalicylic acid 123890 127623 1 1 1 1 7618 8446 17834 18172 114218 117015 1 1 1 1 2662 2973 32120 32641 22806 23573 20668 20141 1 1 1 1 1 1 1 1 1 1 201415 199438 1 1 8661 9594 17300 17691 1 1 15246 15742 1 1 1 1 1 1 1 1 1 1 23196 23804 3828 4130 1 1 2759 3353 14885 15633 10826 11545 8318 8433 64766 63515 1 1 1 1 13231 13802 1 1 1 1 15101 14713 7847 7673 417600 409890 1 1 195.0524 *195.0525* 195.0525@4.1340246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 2575 1 1 1 1 1 1 1 1 1 1 195.0525 *195.0527* 195.0527@3.6207922 1 1 1 1 1 1 1 1 1 1 1 1 3177 3272 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1698 1 1 1 1 1 3631 3916 1 1 3163 3028 1 1 1 1 1 1 4130 4137 1 1 2676 2424 1 1 10484 9725 1 1 2411 2751 4396 3860 1 1 1737 1600 1 1 1 1 1 1 1 1 11795 11470 1919 1891 1 1 1 1 1 1 195.0527 *195.0614* 195.0614@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0614 *195.0885* O-BENZYL-l-SERINE 2453 1 2467 2760 3159 3345 1 1 3329 3244 3022 3145 2809 2614 1 1 2617 2484 2586 1 1 1 2124 1 3549 3509 2491 2614 2781 2571 2657 2697 2345 1 1 1 2731 2562 2689 2471 2663 2779 2706 1 3080 3380 1 1 1 2497 2519 2985 2790 2498 2915 2436 2598 2286 1 2255 1 1 1 1 1 1 1851 1 1 2319 1 2737 1 1 2893 3413 1 1 2602 2656 2299 1 2478 1 2764 1 1 1 2348 2397 195.0885 *195.1698* 195.1698@4.936013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418 1832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5301 5661 1 1 195.1698 *195.2186* 195.2186@4.9408684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1765 1772 1 1 195.2186 *196.0046* 196.0046@0.93727493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3939 3947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0046 *196.0396* 196.0396@1.7046993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8626 9019 1 1 196.0396 *196.0519* 196.0519@0.8709924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0519 *196.0565* Gluconic acid 1 4203 10115 4186 6512 1 14409 13812 4917 5686 2617 2869 2811 5898 3711 10047 1 5031 1 5036 1 3024 3247 3074 1 1 3926 1 1 1 8592 7852 1 1 1 1 1 1 1 3806 1 4173 1 1 1 1 3386 1 1 1 3752 1 9677 3272 1 1 1 9835 2716 1 10680 10611 1 1 3865 4646 4682 5617 1 1 1 1 1 4309 2873 1 1 13138 1 1 1 4521 1 1 1 8342 5000 1 15289 5132 HMDB00625 C00257 196.0565 *196.0573* Galactonic acid 13709 10492 1 1 10907 10174 13312 14015 7873 7777 1 5386 5198 1 5315 1 1 9736 11787 6982 1 3838 5373 6107 1 1 8247 1 1 1 17467 20153 17145 16406 14892 14040 12237 12637 12921 9262 11773 6884 1 1 12998 7734 6590 10070 14615 13803 7973 11948 1 6262 12717 1 20422 12445 4103 1 1 1 8401 1 9335 9189 12921 12323 10308 9400 8913 8183 11664 8635 6254 10159 13254 1 16569 16969 12825 8439 12222 12134 24754 15897 2827 15907 1 10507 HMDB00565 C00880 196.0573 *196.0584* 196.0584@3.2653854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 1 1 1 1 2264 1 1 1 1 1823 1 1 1 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4325 4419 1 1 1 1 196.0584 *196.0589* 1,3-Dimethyluric acid 6062 5306 1 1 14045 15077 13067 13086 3721 4084 13174 13305 3456 3639 7676 6895 1 1 7636 7393 1 1 16416 18051 1 2101 4792 4920 7339 6607 6180 5882 21869 21412 11084 9775 13127 14188 3983 4158 13638 13276 5842 5887 7180 8286 16001 16042 3450 3710 8820 8847 6977 6744 1 1 4424 4897 8318 8695 1 1 1 1 16404 14529 20420 23101 5494 5754 20581 20136 1 1 6327 5535 1 1 1 1 18749 19020 2428 2894 51500 50147 7656 6974 8468 8650 HMDB01857 196.0589 *196.063* 196.063@5.2444954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7311 7907 1 1 1 1 196.063 *196.0719* 196.0719@5.3402567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4640 5099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0719 *196.0728* 196.0728@5.2350297 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2390 2519 1 1 1 1 4138 4145 4628 4414 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 3033 2733 1 1 3847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.0728 *196.1093* Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- 52257 48728 4130 3637 1 1 9220 9715 1 1 40822 38253 5764 6216 1 1 8172 7185 110672 115754 34825 36634 100086 93639 5918 5882 1 1 40342 41565 7257 6670 53862 53142 1 1 4028 3716 5077 4387 3074 3090 3204 3027 81241 76562 38999 38374 16829 16141 3120 3564 2281 2335 4622 4477 22602 24635 19300 19602 1 1 3835 3962 10085 9823 10728 10794 1 1 38090 51812 9242 9539 5035 5478 6264 6524 53423 51594 16098 15485 24685 25862 10463 10766 13011 13299 1 1 196.1093 *196.1096* 196.1096@7.7433186 1 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1096 *197.0551* 197.0551@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0551 *197.0788* 197.0788@0.92593116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 1 1 1 1 1 1 1 197.0788 *198.0379* 198.0379@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0379 *198.0678* 198.0678@7.6892905 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0678 *198.0738* 198.0738@2.9596791 1 1 1 1 1 1 1 1 1 1 3037 5741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4924 9936 1 1 1 1 1 1 1 1 1 1 1 1 1 6306 1 1 4501 8664 1 1 1 1 198.0738 *198.0742* 198.0742@2.9885204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8039 1 1 1 1 1 198.0742 *198.0743* L-arabitol 4421 1 1 1 7545 17609 1 4500 10208 8281 5327 14583 1 1 6717 7010 1 1 11244 12001 1 1 1 1 1 1 1 1 1 1 7609 6192 17796 19386 13394 13035 14535 5811 1 1 9010 9244 1 6516 10688 11712 22949 23153 1 1 1 1 5770 7450 1 1 7748 8268 9766 6523 1 1 1 1 9661 9136 30652 32773 5423 2389 6570 11194 1 1 7609 7627 1 1 1 1 13163 9607 4372 9380 11054 21021 10533 10663 6226 1 HMDB01851 C00532 198.0743 *198.0743* 198.0743@3.0359795 1 1 1 1 1 1 1 1 1 1 5059 4877 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1 1 1 1 1 1 11219 7980 2712 2634 1 1 1 1 4594 13162 1 1 1 1 8598 8507 1 1 6485 1 1 1 1 1 1 1 1 1 1 1 1 1 8126 8297 14523 9235 1 1 13135 6873 1 1 1 1 1 1 1 1 11861 6108 1 1 10546 13921 1 1 1 1 198.0743 *198.0743* 198.0743@2.2081788 1 1 1 1 9452 1 1 2297 1 1 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 198.0743 *198.0743* 198.0743@2.2660344 1 1 1 1 1 1 1 1 1 1 7804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3781 1 1 1 1 1 1 1 1 1 1 1 1 3824 1 1 6164 1 1 1 1 1 198.0743 *198.0747* 198.0747@1.4742041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7021 6846 1 1 1 1 198.0747 *198.075* 198.075@1.2849585 1 1 1 1 1 1 1 1 1 1 1678 3878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 2648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5238 4759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4912 5332 1 1 1 1 198.075 *198.075* 198.075@2.3193398 1 1 1 1 1 1 1 1 1 1 4192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5517 5323 1 1 1 1 1 1 1 1 1 1 1 5259 1 1 1 1 1 1 1 198.075 *198.0886* guaifenesin 1 1 2968 2436 1 1 7992 7549 1 1749 2355 2297 1 1 2356 2504 1 1 1 1 1 1 1 1 1 1 2300 2918 1 1 11645 11351 3411 3258 1 1 4163 3855 11152 11052 1 1 1 1 2392 2379 2519 2064 1 1 6473 6345 1 1 1 1 1 1 3634 3756 1 1 3680 3816 1 1 1 1 1 1 1 2293 1 1 2672 2767 2430 2174 2935 3050 3204 2983 1 1 6568 6650 1 1 15186 14879 HMDB04998 198.0886 *199.0562* 199.0562@0.9460138 1 1 1 1 2591 2699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0562 *199.0567* 199.0567@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0567 *199.0829* 199.0829@2.2747018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5077 1 1 1 1 1 5386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5664 1 1 1 1 1 1565 1 1 1 1 1 1 1 1 1 4750 1 1 1 1 1 5281 5269 1 1 1 1 1 1 199.0829 *199.9998* 199.9998@3.1249924 1 1 1 1 1 1 10563 11573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.9998 *200* 200.0@4.7981176 1 1 1 1 3187 2985 25941 27283 4213 3780 6335 5839 1 1 1 1 1 1 8633 7812 1 1 1 1 6635 6779 1 1 1 1 1 1 5454 5198 1 1730 1 1 1 1 1 1 1 1 8169 8630 1 1 1 1 13542 13809 1 1 1 1 8152 8387 1 1 1 1 1 1 1 1 3764 4179 1 1 1 1 1 1 1 1 2597 2328 2518 2747 1 1 1 1 6620 5962 16495 15929 1 1 200 *200.0134* C8 H8 O4 S 4085 5136 30675 30566 7457 7616 70800 70382 17824 17753 6936 6721 10550 10893 39677 38588 12335 12817 95267 90820 8820 8543 4745 4668 1 2624 1 1 42231 43131 1 1 102891 103918 3171 3162 93190 93484 1 1 13584 14174 14356 14266 27501 28644 20321 20893 5190 4794 11021 10520 35956 38007 12792 11656 4943 4967 5887 5867 66979 67297 1 1 4686 3946 25952 24884 11082 11636 7315 8133 26180 26112 3527 3896 12151 11944 22738 22876 3606 3770 11462 10812 17336 17435 12030 12449 1 1 200.0134 *200.0176* 200.0176@5.410164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0176 *200.0446* C6 H13 Cl O5 7366 7136 5210 4790 6368 6110 6210 5908 9932 8754 8436 6831 10176 12740 20907 20823 7684 9420 8440 9098 7211 7061 7451 6970 14423 14887 6199 6029 7508 7749 11668 11898 1 1 6438 6318 20114 19317 16673 18474 21277 23772 2173 2368 6409 6550 18646 16992 16197 15496 13570 13970 17411 18174 15180 16184 22689 22346 9937 12359 23360 22253 14670 11865 6948 6000 6256 6238 20660 21668 6014 5194 2596 2568 18593 20628 15444 16028 22012 21914 18703 18432 5823 6092 7272 7491 13479 13776 9611 10286 200.0446 *200.0485* 200.0485@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0485 *200.077* Diphenylmethylphosphine 11170 11663 9411 9735 12247 13091 8418 8342 10548 10753 11681 11249 11843 11664 16584 16033 10706 10158 11916 12159 8730 7737 8916 8052 11873 12628 12113 11768 16486 16913 8940 9106 14221 13963 11676 12055 14216 13267 12198 12774 12153 12892 15923 15887 12116 12544 10292 10676 15466 15324 8362 8256 10685 10166 13205 12686 10398 10538 14619 14265 19161 19036 12899 13274 11813 11098 14569 15948 15226 14789 14322 14338 16710 15221 11057 10859 13543 12638 12256 12619 16431 15582 9577 9807 16530 16431 13803 13244 9072 9939 200.077 *200.104* 200.104@6.125306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 3308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3930 4094 4934 4037 3922 3299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 1 200.104 *200.1767* Lauric acid 5557 5629 4756 4492 5769 5550 6269 6052 4390 3828 4584 4224 4062 4581 4111 3851 4625 4833 4917 4952 6498 6609 4226 4227 3608 3598 4213 4361 5388 4965 14796 15464 7926 8393 5931 5271 11525 11423 18763 19109 5544 5928 9191 8912 6720 6573 8797 8990 4712 5769 10626 10034 8324 8940 6392 6983 5402 5901 7515 8053 4421 3960 4228 4866 5747 5237 4000 4798 6193 5926 6660 6082 6417 6028 4542 5226 6450 5877 6810 6794 10029 9439 6121 5927 8746 8332 3791 3834 18212 17147 HMDB00638 C02679 200.1767 *201.0524* 201.0524@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0524 *201.0672* C8 H12 Cl N3 O - 2.6733282 1 2378 1 1 10824 1 9228 1 1 5990 4724 1 1 8524 1 9023 9962 1 1 1 1 1 10118 10188 1 1 10224 13052 1 3932 10990 1 7621 1 7926 7454 10012 12123 13054 13400 6807 6966 3338 5867 1 6972 11235 11289 1 9423 12624 8988 8862 8269 8939 9543 8326 11358 3561 11391 2283 10383 10597 9614 9718 9302 9514 9869 8460 8237 7858 7625 10788 10328 6783 8113 6267 13572 11718 11477 12908 3867 12296 12408 9663 9410 7908 7559 5818 9060 201.0672 *201.0677* 201.0677@2.649084 8436 8247 9030 9910 1 9770 1 8041 6419 1 2537 12507 8247 1 8851 1 1 8862 11893 12320 14266 14103 1 1 13979 6278 3046 1 11566 2046 1 8599 1 6593 1 1 1 1 1 1 1 1 9280 7782 11443 5130 1 1 9869 1 1 1 1 1 1 1 1 1 7497 1 6989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5022 1 1 1 1 1 1 1 1 1 1 1 3229 1 201.0677 *201.0679* C8 H12 Cl N3 O 10486 1 1 4410 8622 9619 10994 10065 1 1 4671 9745 7698 7627 1 4915 1 1 8125 8989 18203 18319 5589 5876 8980 8469 9343 8775 19917 5026 15229 13778 12404 12184 1 1 12278 13416 23641 12727 5591 5114 7719 7638 18507 19385 12837 12538 1 1 9820 10377 4568 1 1 5270 13789 13734 12620 12008 1 1 5950 3460 6732 6541 6030 5769 1 1 1 1 6128 6516 13357 12154 9164 9415 16189 5117 8210 8199 6911 7271 6851 1 4999 4892 1 8538 201.0679 *201.0681* 201.0681@2.2906241 1 1 1 1 1 1 1 1 1 1 4087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5631 1 1 1 1 1 1 1 1 1 11711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13008 1 1 1 1 1 6642 1 1 22883 13522 201.0681 *201.0682* 201.0682@2.2445416 1 11005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0682 *201.1361* 201.1361@6.8134193 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 3386 2530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2132 1 1 201.1361 *202.0294* 202.0294@1.1335242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8456 5724 1 1 1 1 1 1 1 1 1 1 1 1 1 4605 1 1 1 1 8660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0294 *202.0299* 202.0299@1.129567 8489 3760 1 8533 1 1 1 9215 1 1 1 1 9488 7060 1 6628 1 1 1 1 5727 17941 1 1 12765 15494 11941 1 1 8241 1 1 11104 1 1 1 1 1 1 1 1 12376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0299 *202.0306* 202.0306@1.1648425 1 8328 1 1 1 1 1 1 1 1 1 1 1 7747 1 1 1 1 1 1 6078 1 1 1 2915 1 1 1 23213 4971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0306 *202.0346* 202.0346@5.6621084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25153 27787 1 1 17607 17502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0346 *202.0397* 202.0397@5.5850573 14865 9624 1 1 1 1 18854 1 1 1 1 1 1 1 1 1 1 1 7817 7280 1 1 1 1 21154 21294 1 1 1 1 17504 16660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23818 1 1 1 1 1 1 41640 39137 1 1 1 1 1 1 1 1 25246 26693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0397 *202.0421* 202.0421@0.98895997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5701 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4483 202.0421 *202.0443* 202.0443@12.461374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0443 *202.0444* C12 H10 O S - 11.224414 5669 5496 6566 1 7427 1 5899 5180 1 4287 3216 6002 4736 1 6702 6425 4982 6378 6359 1 10023 10555 8465 7749 7068 7595 9922 12559 10706 3294 2809 11962 3669 1 8641 8390 6690 1 1 7632 1 11170 1 8418 1 7604 14001 12990 1 11944 4219 9035 8678 9335 11294 14044 7335 1 1 6797 1 1 1 9368 1 1 1 1 1 1 1 1 1 1 1 1 5228 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0444 *202.0444* 202.0444@8.663042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20804 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0444 *202.0445* 202.0445@10.678657 1 4551 4868 1 1 5261 1 4684 3777 3694 4079 5759 5666 1 6041 1 1 1 7902 8271 7315 8211 6807 6673 6230 6763 1 1 10468 9506 10863 13095 11515 10527 1 1 13955 1 1 10433 13414 11204 9570 1 1 9702 11904 12761 1 9997 11410 11563 1 1 14087 1 1 1 1 14967 1 1 1 10057 1 1 1 1 1 1 1 1 1 1 1 1 14605 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0445 *202.0445* 202.0445@11.317522 1 1 1 1 1 1 1 1 1 1 2625 1 1 1 1 3755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12041 13719 1 1 8919 1 1 1 10449 1 1 1 1 9434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0445 *202.0445* 202.0445@0.64764744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17927 202.0445 *202.0445* 202.0445@5.3289614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10669 7820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19599 20903 1 1 1 1 202.0445 *202.0445* 202.0445@11.469013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0445 *202.0446* 202.0446@6.8584285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5521 1 1 13391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0446 *202.0446* 202.0446@4.1772976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6441 1 1 1 1 1 1 1 9020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0446 *202.0446* 202.0446@13.550057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0446 *202.0447* 202.0447@0.6772159 1 1 1 1 1 1 1 1 5153 1 1 1 1 1 1 1 1 1 1 1 14915 1 1 1 1 1 1 1 1 2734 1 1 1 17464 4699 14308 1 8149 12884 1 1 23340 1 1 1 7206 1 1 1 8854 8775 1 1 13348 18954 1 22723 24678 1 1 6522 1 1 30284 1 1 13434 1 1 1 1 19126 1 1 1 1 16604 23378 1 1 34153 37226 1 1 1 19402 1 1 1 7497 202.0447 *202.0447* 202.0447@4.9244666 6133 7272 1 1 11507 1 1 1 1 1 1 6446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14934 1 1 1 1 26021 1 1 9889 10224 29003 1 1 17970 1 9004 1 1 1 1 1 1 1 1 26889 1 1 1 1 1 1 1 1 1 1 1 1 29301 1 1 1 1 1 1 1 1 1 1 1 21751 1 1 1 1 1 17508 1 1 1 34383 1 8385 1 1 202.0447 *202.0447* 202.0447@5.0897293 16710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44563 21737 1 1 1 1 202.0447 *202.0447* 202.0447@5.964765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8889 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0447 *202.0448* C12 H10 O S - 4.0742764 1 12062 1 10378 6311 8981 17013 4955 6610 5969 1 9356 10359 10143 15601 10415 1 12246 9419 21432 1 1 14614 1 7360 8344 13684 22568 6468 9636 1 1 28647 13985 10839 8796 5991 18526 1 22586 1 1 23535 19424 16437 37074 1 17104 32165 22307 1 8119 1 1 1 1 17416 1 1 1 28668 24539 1 1 20233 40617 17132 16374 1 1 1 1 1 1 1 1 30341 25522 30854 27519 20433 43196 1 1 1 1 24751 45084 1 1 202.0448 *202.0448* 202.0448@4.2698536 1 1 1 1 1 6703 1 16090 1 1 1 1 1 6279 1 1 1 6554 10356 8096 1 1 1 1 18465 1 1 1 31816 1 1 1 24413 9893 8961 18175 1 1 1 22787 1 1 1 1 35242 1 1 18890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24690 1 27589 1 36054 1 1 1 1 1 43035 48495 1 1 202.0448 *202.0449* C4 H6 N6 O4 11255 11809 11876 7487 9120 13095 5407 9262 5653 7865 5476 9514 14974 14415 15451 1 13454 13827 16088 21316 22028 21329 8490 17596 11366 20663 21260 18979 17633 6184 19614 20652 18728 16480 19039 16746 13878 18488 30450 27514 17440 26363 29864 30750 14954 25695 24959 26111 3320 27713 22465 20572 21209 20093 23446 27158 33713 31765 30859 33458 27421 27059 28485 31842 37274 37383 31545 19893 45691 42554 44348 43477 41250 46769 39365 35685 34545 36332 27954 30031 32080 33096 39885 37001 35288 38336 31628 25337 30851 30481 202.0449 *202.0451* C12 H10 O S 29206 30241 20622 20040 21147 19787 4991 6390 7815 5872 13870 23904 11878 11297 20421 24347 21934 20645 29566 26725 24957 20958 17388 14094 22688 20389 42802 28509 25944 28892 13256 12773 20187 26102 15354 18324 24208 28615 45952 40158 24667 27539 33965 28281 30633 33434 22811 28598 27902 27605 13480 15503 17264 22643 30085 32685 17730 23573 28579 24703 16784 25614 22314 19299 27688 29175 24784 31679 25929 24068 22759 30147 28102 30716 16491 21021 30461 28674 20691 24407 35522 35465 12684 11428 23402 19668 28219 26315 25018 26861 202.0451 *202.0451* 202.0451@1.3230894 1 1 1 1 1 1 1 1 1 1 4100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0451 *202.0451* 202.0451@4.0410686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4738 1 1 1 1 6560 1 1 1 1 1 1 1 11074 28786 1 8813 1 20152 1 1 1 1 1 1 13848 1 1 1 1 1 1 1 1 1 1 1 14340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4035 1 17882 1 1 1 1 1 1 1 7665 15936 1 1 202.0451 *202.0456* 202.0456@3.1001847 12659 7213 1 1 1 1 1 1 1 5485 1 1 4632 9527 1 1 1 1 1 1 1 1 1 1 1 1 13125 1 1 1 1 1 1 1 1 1 1 1 11003 1 1 1 1 1 1 1 6037 9230 1 1 1 1 1 1 1 1 1 1 22267 20556 1 1 1 1 1 1 7607 7337 1 1 1 1 1 1 1 17802 1 1 31932 1 32540 34798 1 1 1 1 1 1 24675 22774 202.0456 *202.0457* 202.0457@3.6411722 1 1 1 2369 1 1 1 6283 3716 1 1 1 1 5437 1 1 1 1 1 5962 11954 10604 1 8312 14201 14517 9081 1 11573 1 1 1 9694 13492 16053 18577 1 22039 1 1 1 1 1 1 28069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22970 28548 1 1 26254 27390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14874 17698 8021 22993 202.0457 *202.0458* 202.0458@3.6439583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5660 1 1 1 3439 1 1 1 1 1 21271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7909 1 12005 202.0458 *202.0459* 202.0459@3.0137193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11128 8386 1 1 1 1 1 1 1 1 1 1 1 22467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0459 *202.0463* 202.0463@2.9208446 1 3909 1 1 1 1 1 1 1 1 1 1 1 7841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10537 9557 1 1 1 1 1 1 1 1 1 1 18700 9033 1 1 1 1 1 1 1 11849 1 1 1 1 1 1 1 1 1 1 5964 1 1 1 1 1 1 1 1 1 13986 12173 202.0463 *202.0465* 202.0465@1.3695914 1 1 1 1 1 1 1 1 1 1 1834 1 1 1 3087 1 1 1 1 1 1 5799 1 1 1 1 1 10551 1 1 1 1 6579 1 1 1 8362 1 1 7484 1 1 1 9464 1 1 8657 1 1 1 1 1 1 1 1 1 8041 1 1 1 7502 1 1 6941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0465 *202.0583* 202.0583@2.405379 1 6908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6259 1 1 1 1 1 7654 1 8678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15522 13156 1 1 1 1 1 1 1 1 1 17095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0583 *202.0593* 202.0593@2.2724805 1 1 1 1 1 1 1 1 1 1 13246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15107 14998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0593 *202.0631* 202.0631@2.646849 1 1 28355 26991 8400 1 31086 1 19027 18767 1 1 28565 1 26704 28720 28671 26224 1 1 1 1 30977 27424 1 1 1 1 1 11012 1 27580 19308 19118 20584 20571 28256 28800 1 17521 14770 17090 4427 31896 38015 1 1 1 22459 24296 29442 28289 18509 20964 19567 18234 22365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16580 1 1 1 1 1 1 1 1 1 10996 1 202.0631 *202.0631* 202.0631@2.676848 1 1 1 1 1 1 1 1 1 1 6769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39235 14751 1 1 1 1 1 1 1 1 1 24716 1 1 1 1 1 1 37745 37446 1 1 1 1 1 1 1 1 1 22017 29271 32312 22419 1 18713 19132 1 1 1 21213 14999 1 1 1 1 1 19119 18665 12807 29251 22712 42366 37745 34012 1 24659 24844 21334 1 1 1 32858 202.0631 *202.0635* 202.0635@2.6545453 31855 31681 1 1 35429 38946 1 27225 1 1 13471 38924 1 25479 1 1 1 1 39493 39457 49965 51862 1 1 47536 45256 45474 49517 1 9065 32139 1 1 1 1 1 1 1 43121 1 1 1 30019 1 1 33744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0635 *202.0636* 2-Naphthaleneacetic acid, 6-hydroxy- 39377 38318 12214 12978 31152 34829 39191 41367 11165 10997 13960 32376 27851 26933 14308 15052 13805 11175 27196 29101 70062 70869 20462 19801 31129 31884 33089 33222 76520 71905 59091 47687 43774 43062 1 1 45613 44251 89505 88718 1 1 21762 19557 67857 72175 45060 45235 1 1 35764 32497 1 1 1 1 45746 44846 33132 40068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45059 42776 26173 26523 59632 57993 1 21573 18663 1 21138 20098 1 1 71334 72811 202.0636 *202.0944* Ser Pro 63450 1 53025 1 1 55372 29745 1 33678 30197 1494 50571 1 2192 1 1 48280 51085 1 1 3122 1 32961 32928 1 1 1 49221 1 1 1 58227 1 1 1 1 1 58559 57883 54727 1 1 1 3979 1 1 2858 2138 53320 1 1 1 1 1 1 1 1 50118 60915 1 1 69203 74584 70285 2921 4024 3041 1 1 1 3261 57394 1 3010 1 53407 1 56290 58889 56521 1 1 2591 61915 1 48292 1 3379 1 4403 202.0944 *202.0946* 202.0946@6.884737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6408 5598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0946 *202.1153* 202.1153@6.4469323 1 1 1 1 1 1 4746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4434 3814 1 1 1 1 3663 3970 2201 2307 1 1 1 1 2883 3121 1 1 1 1 1 1 1 1 1 1 3511 3053 1 1 1 1 1 1 1 1 1 1 3569 3650 2760 2617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 1 202.1153 *202.1182* 202.1182@6.440781 1 1 1 1 1 1 1 4858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1182 *202.1427* 202.1427@1.0336336 2266 1 2169 1910 1 1 3313 3173 1 1 1 1 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 4092 4029 2690 2576 1 1 1 2562 1 1 1 1 202.1427 *203.0417* 203.0417@3.7415776 4212 3346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 1 3784 1 1 1 1 1 3967 3344 1 1 1 1 1 1 1 1 1 1 3798 4281 3124 3457 1 2915 2196 2747 1 4383 2508 4340 2833 4739 4051 3904 1 2996 3986 4694 3180 1753 1 1 1 1 1 1 1 1 2510 1 1 1 1 1 4225 1 1 1 1 2761 5127 1 1 1 1 3183 1 1 1 1 1 1 203.0417 *203.0487* 203.0487@0.9408598 1 1 1 1 1 1 1 1 1 1 1 3805 1 1 1 1 1 1 6356 1 2190 5141 1 1 1 8429 1 1 4977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0487 *203.0678* 203.0678@2.321807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2793 1 203.0678 *203.1145* 203.1145@2.801682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4632 4510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1145 *204.0084* 204.0084@3.3292446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11099 10916 1 1 1 1 1 1 1 1 204.0084 *204.0087* C8 H12 S3 3701 3739 4009 4543 9292 10135 74587 75722 9597 9648 8872 13126 7727 8897 1976 2036 6220 5558 5757 6019 1 1 11539 11236 4021 4030 3816 3507 6845 7346 3038 3057 14964 15455 3850 3630 5622 5187 1 1 11654 11210 1 1 8625 8528 4291 4728 7567 7325 3473 3744 1 1 1 1 5918 6812 5648 5615 4706 4574 1 1 15470 16262 8491 7889 4465 4215 10171 10934 4960 5208 4090 3463 8861 8066 18331 19658 13464 14170 1 1 46852 45973 8308 8783 2420 2558 204.0087 *204.0087* C7 H8 O5 S 21210 22359 56166 57830 10051 9458 49684 47428 34731 35893 8455 8836 11440 11563 18163 18509 38046 37821 19778 20524 15378 16108 39724 40136 30150 31521 46134 45100 29790 29248 21988 22369 14509 13956 19994 19208 84038 84264 11363 12008 15872 15028 14139 14116 62689 62776 6644 6467 36507 37108 40046 39569 13220 13322 43316 42693 40944 41965 10776 10163 7151 8433 24310 22075 50153 49724 83534 82461 17704 17509 22359 21585 20786 20646 10416 10591 7745 8181 38728 40052 82752 83336 19908 19456 57741 58885 37555 36098 11367 12492 204.0087 *204.0089* C8 H12 S3 - 4.8106647 1 1 19876 20510 4852 4851 8663 8659 10923 10060 1 6391 1 1 1 1 3481 3389 5423 5541 1 1 10068 9600 25145 24748 47488 47501 4977 3829 1 1 4131 4694 5153 5189 5429 6143 1 1 6036 6158 1 1 4144 4122 5072 5364 9212 8313 1 1 1 1 12139 11693 1 1 3830 3506 1 1 1 1 6044 5988 3853 3937 1 1 26792 26939 5547 6485 1 1 19035 18763 1 1 4148 4165 1 1 11843 12348 6699 6544 1 1 204.0089 *204.0089* 204.0089@4.6485543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31880 31980 1 1 32759 33468 1 1 1 1 1 1 1 1 5726 5602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0089 *204.0266* 204.0266@1.1009833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0266 *204.0271* Oxaloglutarate 18301 17683 12350 12756 14658 13724 13590 14087 18391 18741 18495 15683 19436 18102 13320 15164 18898 17490 15088 13379 14120 14639 21489 21377 14575 14733 12826 15319 19139 17855 22600 21253 19292 17821 17277 17091 20073 19965 17594 14712 21146 16910 12736 18205 17880 17698 17938 21528 21617 17932 20357 20277 16499 14562 21505 19584 21306 21814 18180 15240 20773 21248 15999 14749 19835 20641 23355 22200 16640 16956 27272 29495 20848 18560 14419 16504 13537 16853 22667 21328 27011 24524 17275 15194 16704 21946 19061 16282 19619 20823 C05533 204.0271 *204.028* 204.028@1.1366838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5643 1 1 1 1 1 1 4375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4314 204.028 *204.03* 204.03@1.1515357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8917 1 3456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.03 *204.0358* 204.0358@0.90701276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0358 *204.0422* 204.0422@0.94777054 1 1 1 9295 1 1 9003 8383 1 1 1 13433 1 1 1 1 1 1 1 1 1 1 5497 1 1 1 9691 1 1 4453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4023 1 1 1 204.0422 *204.0433* PYROGALLIN 1 2229 7020 1 4211 4602 1 1 3010 3188 9157 1 3918 2858 1 3611 5791 1 8591 10120 8050 7912 1 6996 4160 5006 1 9244 8755 27112 3210 8441 5175 5136 6214 5197 1 1 1 1 4179 2894 15562 17216 3889 6371 1 1 2878 1 13306 1 7280 1 2279 3279 10212 3744 2438 13454 1 1 1 1 1 1 13228 1 1 1 14140 3791 1 1 1 1 1 1 2342 1 5205 15106 1 1 4960 4466 13685 6585 1 1 204.0433 *204.0491* 204.0491@0.9429669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0491 *204.0551* 204.0551@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0551 *204.0628* 204.0628@2.864711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4034 1 204.0628 *204.0644* C8 H13 Cl N2 O2 4851 4649 2964 3302 2996 2732 2059 2120 3094 3290 4719 4356 3609 3663 3745 3799 2760 2600 2871 2920 2463 2676 2773 2261 3091 3371 3766 3850 3070 4001 2769 2661 2505 3000 3594 3239 3430 3318 3595 3305 3026 2961 6893 4565 2795 3176 3004 4125 2877 2725 2182 2371 2306 3014 3678 3339 2983 3482 2304 2370 4368 4399 2617 2850 4684 4154 2782 3096 2944 2890 4102 3859 4278 3892 3891 3302 4480 4347 4243 3977 3752 3808 5447 5235 3561 3534 3771 1 3210 2985 204.0644 *204.0797* 204.0797@7.1791897 1 1 1 1 1 1 1 1 1 1 1 1 3534 3742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0797 *204.0822* 204.0822@1.1739045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 1 1 1 1 1 1 1 1 1 1 204.0822 *204.089* 204.089@3.7054257 1 1 1 1 1 1 1 1 1 1 1 1 1 7423 1 1 3658 1 1 1 1 1 1 1 1809 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 5117 1 1 1 1 1 1 1 1 2859 1 1 1 1 10158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.089 *204.0896* Tryptophan 180654 176712 299458 296937 171547 171226 162276 163621 240653 241255 261554 263415 195439 190139 320156 321461 177890 173423 282914 278768 212434 214605 304713 300494 265599 263948 288922 291009 253454 245212 237825 233695 131562 130379 154367 158234 223557 221434 184055 182500 254568 262283 345144 351734 203511 201880 315330 316975 372254 371180 189747 219203 265467 258316 338683 354678 260140 266641 337236 341343 505115 510308 229585 228590 154303 171580 246793 243354 299670 297314 395110 397926 315333 310023 291680 295211 376696 377023 298472 304182 346648 341855 413016 417764 276765 278747 363740 354894 178967 178138 C00078 204.0896 *204.1052* 204.1052@0.91498876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1052 *204.1097* 204.1097@0.9422076 1 1 1 1 1 1 1 1 1 1 5529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 6250 1 1 2711 1 1 1 1 1 1 1 1 1 5993 1 1 1 1 1 1 1 1 1 5029 1 1 1 1 1 4526 1 1 1 1 1 5247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12149 1 1 1 204.1097 *204.1103* 204.1103@0.93656015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12911 1 1 1 1 1 1 1 1 1 6656 1 1 1 1 1 13468 1 1 1 1 1 11752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5319 1 1 1 204.1103 *204.2094* C12 H28 O2 1721 1 2698 3987 1879 1 1677 1920 1 2627 3185 1 1 1 4255 4121 2080 1 2710 3170 1852 2315 3353 3409 1 3415 3811 3250 2271 3353 2616 2602 1 1 1104 1 2628 1 1926 2169 2640 1 3407 4264 1993 1973 3851 3449 5044 5081 1688 1915 3009 2629 1 1 1 3201 3428 4005 6910 7284 1 2607 1679 1 1 2789 3706 1 5029 1 3270 1 3599 3750 4261 4422 3824 3085 4454 3058 4306 5150 2710 3002 1 1 1817 1307 204.2094 *204.2524* 204.2524@3.6511388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.2524 *205.0036* 205.0036@3.6310527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3301 3274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0036 *205.0403* 205.0403@1.1911241 1 1 1 1 1 1 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0403 *205.0604* 205.0604@0.9084981 1 1 3237 2672 6808 5686 13367 1 5293 5233 3109 2298 9394 9222 6323 6083 1 1 7124 3397 3934 6512 10402 8333 6827 6445 6050 8029 11919 7259 1 1 1 1 1 1 1 1 1 1 3395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2091 1 1 1 1 1 3382 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 205.0604 *205.0624* 205.0624@0.9339051 1 1 1 3420 1 1 1 13790 1 1 3507 4295 1 1 1 1 1 1 3622 1 3832 3255 1 1 1 1 1 1 1 1 3407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0624 *205.0724* 205.0724@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0724 *205.0727* 5-Methoxyindoleacetate - 5.326242 1 1 1 1 1 1 1 1 5315 5770 1 1 3635 3689 1 1 5971 1 8544 8775 1 3201 1 6952 7165 7451 6268 6172 5888 4062 7846 1 5663 5784 1 3798 6124 6260 1 5180 1 7959 1 5694 6673 1 1 9435 1 1 1 7252 4324 3641 6431 6061 10023 9919 7995 8304 1 6291 4239 3938 1 1 1 7087 6208 1 6223 6613 5258 4668 1 1 1 1 1 1 8311 1 1 1 1 1 1 1 3924 1 HMDB04096 C05660 205.0727 *205.0731* 5-Methoxyindoleacetate 9578 9299 8907 8220 7085 6726 15825 16395 1 1 8299 7920 1 1 5888 6539 1 6077 1 1 3472 1 6378 1 1 1 1 1 1 2413 1 7501 1 1 4504 1 1 1 5699 1 7218 1 5474 1 1 6828 1 1 5676 4908 6974 1 1 1 1 1 1 1 1 1 6258 1 1 1 6492 6420 6824 1 1 6103 1 1 1 1 3639 3807 9395 9293 1 1 1 8383 6849 7159 1 12286 10896 10156 1 4089 HMDB04096 C05660 205.0731 *205.087* 205.087@7.18069 1 1 1 1 1 1 1 1 1 1 1 1 7564 7367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.087 *205.9533* 205.9533@6.7328377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9472 10084 1 1 15656 9236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9533 *205.9794* 205.9794@3.638128 1 1 1 1 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.9794 *205.9875* C10 H6 O S2 1 1 1 1 9523 8883 8656 7210 22681 22380 1 1 37865 41764 58208 58182 8543 8332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2183 2329 1 1 1 1 21787 29605 1 1 8921 9310 10395 10651 11721 12304 1 1 1 1 1 1 1 1 8217 8268 6677 15815 7793 8896 22458 23254 14117 13808 1 1 1 1 18070 18102 6745 6596 1 1 7319 3681 1 1 1 1 1 1 1 1 1 1 205.9875 *205.9876* 205.9876@3.3036473 1 1 1 1 2797 3023 7178 9017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8448 1 1 1 1 1 1 1 21022 21008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3838 1 1 1 1 1 1 1 1 1 1 205.9876 *206.0254* 206.0254@0.8612965 1 1 1 1 1579 1493 1 1 1 1 1 1 1 1 1867 2250 1 1 1 1 1628 1518 1 1 1 1 1 1 2390 1 1 1 1 1 1 1 1 1 1 2138 1 2028 3143 1 1 1 1 1 1 3316 1 1 1 2125 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 2041 1 1 1 1 1912 1722 1 1 1 1 1 1 1 1912 2334 1 1 2379 1 1 206.0254 *206.0337* 206.0337@0.8643041 1 1 1 1 1 1 1 2688 1 1 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1983 2117 1 1 3153 1 1 1 5637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0337 *206.0576* ISOEUGENITOL 9795 7982 16553 18458 12514 21785 24775 27910 12634 16843 13319 9383 21260 24198 29317 27969 14406 9498 13116 13272 23161 24662 36008 27024 33313 19791 28201 20726 28163 33430 9845 9795 6137 6794 11972 5224 5365 5773 3250 6265 12645 12103 7427 9520 6208 6612 10697 9848 7069 9130 5783 4829 5089 6510 3607 3038 11451 12504 16171 13105 7278 6597 6737 1 3199 1 6315 6498 10932 12694 8507 4851 7654 8046 11777 9568 10031 7511 9154 8625 4372 8980 6976 6933 15548 7517 12843 12933 10631 8840 206.0576 *206.0593* 206.0593@0.92458785 1 1 1 10894 1 1 1 1 1 1 1 13684 1 1 1 1 1 1 13129 12026 13919 14737 1 1 1 1 1 1 1 1 3937 3463 1 1 1 1 1 5791 1 1 1 1 1 1565 1 1 1 1 1 1 10350 1 1 7280 2957 4396 1 1 1 1 1 1 1 1 5527 4436 1 1 1 1 1 5534 1 1 1 1 1 1 1 1 8510 5804 1 1 1 1 1 1 1 8304 206.0593 *206.0606* 206.0606@0.84756327 1 1 1 1 8769 1 1 1 1 1 1 1628 1 1354 1 1 1 5398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1573 1 1 1 1 1 1 1 1 1 1328 1271 1435 1293 1 1464 1486 1442 1421 1238 1 1792 1594 1 1 1 1269 8778 1 206.0606 *206.1298* 206.1298@9.893652 1 1 1 1 1 1 1 1 1 1 1 1 19152 20514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1298 *207.057* 207.057@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.057 *207.0663* 207.0663@3.1679313 1 1 3872 4321 1 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0663 *207.1097* MIGLITOL 3672 3395 1 1 4147 4126 5262 5804 1 1 1 4903 1 1 1 5297 5154 4228 5848 5583 1 3237 5903 5570 6529 6967 3671 3527 4616 1 1 5132 6828 6863 3100 3211 4806 4985 4159 4027 5930 5869 5594 5228 4200 4236 3584 3485 6625 6099 5126 5133 5817 5757 4289 4704 7189 6870 1 6429 5613 6287 4267 4197 5683 5342 7804 7670 6712 6603 7117 6325 6845 6852 5913 6493 7418 7713 7797 8698 5157 5162 11157 11207 5270 6175 5641 5970 3744 3448 C07708 207.1097 *207.9503* 207.9503@6.7319264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5935 6464 1 1 1 5618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.9503 *207.9777* 207.9777@0.78450006 1 1 1 1 1 1 1201 1 1 1 1266 1 1 1 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1093 1 1 1 1 1 207.9777 *207.9795* C5 H8 N2 O S3 2059 1 1928 3428 3393 3205 2053 2236 2887 3426 2431 3044 1 1486 3334 3741 2061 2303 3604 1 3342 3923 1 3317 3486 3402 2028 3565 1 1931 1 3357 1882 3095 1832 1 3318 3172 3073 1 3023 3082 2067 2973 3209 3024 2950 1710 1660 2896 3372 3049 3033 2086 1 3194 3134 2988 2609 1 1119 2828 2741 2561 2908 2957 3246 2945 2852 2933 3054 1666 2591 1767 1583 2931 3102 2231 3004 2065 1593 2935 1639 1738 1943 3238 1833 2836 2856 1733 207.9795 *208.0035* 208.0035@3.209199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2719 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0035 *208.0188* C10 H8 O3 S 8790 8839 9149 3100 8163 9327 1 1 1 1 3275 9815 1 1 1 1 1 1 9484 6158 8373 1 8789 1 1 1 4504 1 5514 2973 8925 4600 10745 10262 9529 10053 9607 10003 10563 9533 10961 10361 10655 8186 9522 11197 7602 5112 10130 10607 7485 9840 10511 3067 1690 9140 8374 1 6317 4386 1 5070 5464 5497 1 1 4864 1 5717 4533 1 5040 5746 1 1 1 5766 5770 4675 4704 5904 5275 1 1 5723 1 4574 1 5240 6230 208.0188 *208.0217* 208.0217@4.902802 1 1 1 1 1 1 7816 8134 9148 1 5970 1 8712 8588 9013 9288 9324 8549 1 4164 1 9213 1 9094 8100 7654 5696 8714 1 3283 1 6024 1 1 1 1 1 1 1 1 1 1 1 2297 1 1 1 5493 1 1 2379 1 1 7977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0217 *208.0229* 208.0229@4.910109 1 1 1 1 1 1 1 1 1 8250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 2458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0229 *208.0571* 208.0571@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0571 *208.0581* 208.0581@1.0533769 1 1 1 1 1 1 1 1 1 1 6243 10513 1 1 1 1 1 1 8559 1 1 7924 1 1 1 1 1 1 1 1 1 6527 1 5260 8951 9291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6176 5811 1 1 7087 7330 7895 1 4531 1 208.0581 *208.0588* 208.0588@1.0398105 1 1 1 1 1 1 1 1 1 1 3966 1 1 1 1 1 1 1 1 9714 6538 1 1 1 1 1 5531 5793 4525 1 8916 3506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7783 1 1 208.0588 *208.0757* 208.0757@0.9006799 1 1 1 1 3470 3356 1 1 1 1 1 1 1 1 5088 5647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5447 6023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0757 *208.0826* 208.0826@3.1424222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3411 3130 1 1 1 1 1 1 1 1 1 1 208.0826 *208.0891* 208.0891@3.320581 1 1 1 1 1 1 1 1 1 1 1 1 2577 3850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0891 *208.9744* 208.9744@14.7478485 1 1 1 1 1 1 1 1 1 1 9033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7929 1404 1 1838 1 1 4297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6381 1 1 1 1 1 1 1 1 1 1 5024 1 1 208.9744 *208.9753* 208.9753@14.718953 1 1 1 1 1 1 1 1 1 1 3995 1 1 1 1 1 1 1 1 1 1 1 1 2815 1 1 1916 1 1 1 1 1 12097 7005 1 1 8261 1 1 3666 1 7940 1 1 1 1 1 6623 1 1 1 1 1 1 9698 1 1 1 9328 7634 1 1 1 1 1 1 1 1 1 1 1 4132 1 1 1 1 1291 1 1 1 7885 6610 1 1 1 1 4252 7964 1 1 208.9753 *208.9753* 208.9753@13.602536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.9753 *208.9757* 208.9757@14.299334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11889 1 1 3837 1 1 7840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.9757 *209.8516* 209.8516@0.85012215 5461 5485 6922 6895 6674 6794 7431 7479 7844 7838 5332 5398 7896 7965 7533 6943 8545 8003 7987 7498 7357 6793 7725 7369 6588 7416 6963 7515 6697 7343 6818 7155 6740 7248 7550 7045 7300 8022 7281 7021 7442 7367 7505 7137 8539 8091 7594 7362 8368 7964 7772 7631 8724 8588 8186 7607 8270 8077 7144 7405 7204 6667 7282 6856 7746 7546 7650 7332 8892 9035 7060 7183 7820 7839 8282 8022 7826 7958 7551 7763 8937 8550 7665 7940 8084 8064 8346 7870 8395 8154 209.8516 *209.9231* 209.9231@0.81595445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.9231 *210.0372* 210.0372@1.178074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2623 3305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0372 *210.0379* 210.0379@0.9275512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52351 52863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0379 *210.0607* 210.0607@0.8178464 1 3856 1 1 1 2888 1 1 1 1 2894 3463 2721 2642 2430 1 1 1 1 1 1 2773 1 1 1 1 1 1 3554 3247 1 1 1 1 2969 2913 2892 1 2879 3034 1 1 1 1 1 1 2568 2570 1 2198 1 1 1 2134 1 2735 1 1 1 1 3851 3515 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 2691 1 1 1 1 1 2958 1 2506 1 1 2765 2524 1 210.0607 *210.0618* 210.0618@0.9072376 1 1 1 9433 1 9845 7658 1 11938 14400 5960 1 8253 7710 1 1 1 1 9456 6104 1 1 16002 1 1 1 1 1 1 5266 1 1 1 1 11507 8485 9539 1 8295 1 1 7113 6857 10905 1 1 8019 6324 1 1 1 1 1 6523 1 8181 1 1 1 1 1 8632 9725 1 1 1 1 1 9291 7833 9529 10038 1 8220 1 1 7712 1 11215 1 9041 1 1 10140 1 1 9334 1 1 10904 210.0618 *210.0657* 210.0657@0.8940403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0657 *210.0705* 210.0705@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0705 *210.0729* 210.0729@0.9855661 1 4422 1 1 3496 1 5602 5185 4171 1 3828 1 1 1 1 1 1 1 5277 1 1 1 5168 1 5556 1 1 1 1 1 1 1 1 1 4068 4020 7565 1 1 1 8192 8905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7919 1 1 1 1 1 6066 1 1 1 3704 4186 1 1 1 1 1 1 1 1 1 6594 1 1 7114 6501 1 1 5400 4867 7103 1 1 1 210.0729 *210.0742* Sedoheptulose 1 1 1 1 2764 3079 2256 2384 2067 1986 1 1960 1 1 2225 2222 1 1 3662 3593 1 1 6406 6897 1 1 1 1 1 1 1 1 3746 3962 1 1709 2440 2659 1 1 3246 3325 1 1 1 1 2317 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 3205 2670 2456 1 1 3250 3258 1 1 1 1 1 1 1 1 2421 2494 1 1 8640 8191 2223 1 1 1 HMDB03219 C02076 210.0742 *210.0882* 210.0882@6.971994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26080 26003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18759 18798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20653 20915 1 1 1 1 210.0882 *210.1611* 3E,5E-tridecadienoic acid 1 1 3677 3692 1 1 3234 3020 3678 3601 1 1 3157 2895 5695 5294 1 1 1 1 1 1 1 1 1 1 2996 3042 3346 3816 2511 1 6640 6829 3576 3754 7386 8011 4576 4394 4936 4667 2269 2479 2612 2906 4599 4299 2833 2768 4475 5190 1 1 6813 6292 2583 2839 3106 3591 1 1 1983 1 1 1 1 1 1 1 2820 2267 3595 3650 1 1 4652 4332 5932 6015 5045 4628 3828 4295 1 1 1 1 1 1 210.1611 *210.1613* 210.1613@8.493336 1 1 2421 2864 1 1 2225 2733 1999 1 1 1 1 1 4900 4519 1 1 1 1 1 1 1 1 1 1 2822 2518 2670 2770 1 1 2420 2510 1 1 3410 4023 1891 1 4085 4028 1 1 1 1 1 2251 1 1 5038 4745 1 1 2879 2993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 3045 1 1 1 1 1 1 1 1 210.1613 *210.9731* 210.9731@14.882141 1 1 1 1 1 1 1 1 1 1 2548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.9731 *210.9736* 210.9736@14.85127 1 1 1 1 1 1 1 1 1 1 1707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.9736 *211.063* 211.063@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.063 *211.0842* 211.0842@2.8470204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103127 106003 1 1 1 1 1 1 1 1 1 1 211.0842 *211.8482* 211.8482@0.8512162 1 6769 1 1 1 1 1 1 1 1 6937 1 1 9736 1 1 10100 10053 1 1 8085 1 1 1 9500 1 1 9203 8580 4290 1 1 1 8876 1 9138 8943 1 1 1 1 1 9195 9319 1 10580 1 1 1 1 1 9953 1 1 9701 1 1 1 9354 1 9298 9659 9058 8418 10016 10352 10378 10145 1 1 1 1 1 1 1 1 10336 10235 1 10595 1 11093 1 9823 1 1 1 1 10788 10226 211.8482 *211.8484* 211.8484@0.8496604 6951 1 8793 8803 9150 9274 9548 10014 9818 9775 1 6765 9554 1 9589 9604 1 1 9652 9918 1 8667 9402 9050 1 9558 9470 1 1 4090 9042 9126 8897 1 9192 1 1 9628 9381 9443 9824 9380 1 1 10651 1 10046 9882 10710 10583 9860 1 10913 10986 1 10140 10898 10740 1 9442 1 1 1 1 1 1 1 1 11563 11807 9278 8300 10169 9892 10089 10446 1 1 10774 1 10580 1 9597 1 9845 10226 10619 9928 1 1 211.8484 *212.0314* 212.0314@5.9146833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3953 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4989 5434 4479 4133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9040 8685 1 1 1 1 1 1 5465 5005 1 1 6150 5769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5018 4663 1 1 212.0314 *212.0551* 212.0551@13.475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0551 *212.0678* 212.0678@4.0125785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37573 38547 1 1 1 1 1 1 1 1 1 1 212.0678 *212.0896* 212.0896@3.1924987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7279 6624 1 1 1 1 212.0896 *212.0899* 212.0899@3.394883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6685 6269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 5907 1 1 1 1 1 1 1 1 1 1 1 1 4708 5133 1 1 11098 14084 1 1 1 1 212.0899 *212.1038* 212.1038@5.33475 5711 5835 1 1 1 1 1 1 1 1 7615 7848 3416 3334 1 1 1 1 23231 21173 6980 7042 17276 16979 1 1 1 1 13360 12698 2312 2567 4837 4365 1 1 1 1 1 1 1 1 1 1 11705 11437 6142 6186 1 1 1 1 1 1 1 1 6156 6817 1 1 1 1 1 1 1 1 1 1 1 1 2536 2690 1 1 1 1 1 1 5779 6062 2510 2632 1 1 1 1 1 1 1 1 212.1038 *212.1403* 212.1403@9.331695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1403 *212.1405* 212.1405@7.932128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 3562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1405 *213.0085* 213.0085@4.364021 1 1 1 1 1 1 5765 6345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4931 4805 1 1 1 2604 7287 1 1 1 1 1 2552 2934 1 1 1 1 1 1 1 1 1 1 2634 2772 1 13102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6368 1 3995 4300 2356 2679 1 1 1 1 4791 4761 1 1 213.0085 *213.0089* Indoxylsulfuric acid 91113 90972 45047 47291 58838 57310 319381 323387 53729 54665 34892 32558 60001 60785 43779 42849 60275 57900 56489 56812 40889 41767 32501 32485 104548 106173 70662 72208 99504 103050 25352 25604 237278 234351 142097 142745 115711 114505 54256 63540 73909 75211 91274 91606 128408 125793 68468 69763 77809 77152 99485 101253 67152 67195 31447 33092 127736 127837 29463 17890 85506 83901 21952 22599 147969 147520 86772 85828 45419 44995 26949 26602 41853 42157 47619 46685 75622 80115 239075 246400 131679 130732 95745 95963 78410 79468 201099 201092 38955 39934 213.0089 *213.0089* 213.0089@5.0275483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0089 *213.009* 213.009@3.8078384 1 1 1 1 1 1 3674 3505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3242 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9217 9361 1 1 1 1 1 1 1 1 1 1 1 1 213.009 *213.009* 213.009@5.9665923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2657 1 1 1 1 1 213.009 *213.0183* 213.0183@5.5524974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5419 5757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0183 *213.0267* 213.0267@0.8380075 1 1 1 1 1 1 1 1 3442 1 3238 1 1 1 5450 5680 1 1 1 1 1 1 1 1 1 1 1 1 3311 1098 1 1 4986 4851 1 3037 1 3064 1 1 2969 3207 3427 3467 1 2650 3213 1 3281 1 4491 4205 1 1 3186 3939 3411 1 3239 2912 3985 3385 1 1 4234 3879 1 2839 2769 2934 3054 3100 3099 1 1 1 1 3307 2854 2752 1 1 1 1 1 1 1 1 1 1 213.0267 *213.0268* 213.0268@2.8704195 1 1 1 1 1 1 5475 5423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0268 *213.078* 213.078@5.245495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3860 5116 1 1 1 1 213.078 *213.1323* 213.1323@4.126994 1 1 1 1 1 1 3642 3992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3297 2796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 1 1 1 1 1 2202 1 1 1 213.1323 *213.8472* 213.8472@0.85026675 3395 3416 4397 3939 4590 3994 4769 4854 4596 5128 3177 3532 4555 4385 4617 4374 4519 4990 4577 4881 4028 3961 4546 4760 4251 4360 4289 4779 4395 4440 4595 4224 4019 4439 4454 4336 4692 4714 4720 4571 4804 4698 4441 4713 5015 5137 4718 4638 5148 4860 5315 5188 5156 4967 4789 5245 5128 5073 4907 5020 4539 4351 4532 4673 4951 4607 4469 4863 5545 5908 4233 4510 5004 4756 5458 4905 4875 4898 5202 5283 5418 5550 4833 4919 4911 4867 5104 5190 4954 5293 213.8472 *213.9857* 213.9857@4.949577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18633 1 1 1 1 1 1 213.9857 *213.9862* C6 H2 N2 O7 258868 247164 263028 262080 288138 284682 278571 285107 280869 276822 298393 296479 273016 281350 258630 266550 297606 291932 229045 228681 240775 238368 234595 234935 267176 260643 266281 266657 224443 223551 287076 285306 296586 296350 302268 303695 287831 299257 280270 283116 287904 289032 246862 250959 305343 306149 263168 258812 281738 277897 307104 302072 253648 249054 292528 292534 288328 286048 226185 231625 261779 258297 277041 278887 306407 308753 303120 300346 286845 291885 285818 282901 252411 245077 294984 298607 271117 272605 258747 262213 229101 237322 256238 240863 247744 249356 261950 261591 249123 254694 213.9862 *214.0286* C9 H10 O4 S 1 1 6473 6180 16692 15062 14328 15162 6989 7172 5944 5754 8639 8967 5201 5274 1 1 38115 37489 5351 5477 20756 21312 4522 5219 1 1 3733 3648 4713 5489 1 1 7117 6760 2961 3162 1 1 6536 6930 3312 3598 10023 10848 24689 25346 8702 9216 1 1 6622 5956 6708 7441 1 1 2959 2748 3910 3986 20844 18368 7992 8217 1 1 1 1 6993 6725 9455 8748 7502 6836 38499 37913 13368 14340 6861 6524 6292 7544 18580 17783 4933 4956 16017 16655 214.0286 *214.029* 214.029@5.9728975 1 1 2644 2705 7617 7442 5197 4676 4427 4494 2707 4522 4098 3782 4342 4021 1 1 1 2663 4802 4019 8984 8741 1 1 1 1 1 1 1 1 1 1 3696 3894 1 1 1 1 6209 6355 1 1 1 1 2801 3057 13955 13297 1 1 3151 1 1 1 1 1 1 1 1 1 1 4036 47525 47668 1 1 1 1 3495 3479 1 1 1 1 1 2897 1 1 16985 16421 4396 4479 9382 10068 5151 5622 1 1 214.029 *214.0297* 214.0297@5.9510584 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0297 *214.0598* C8 H10 N2 O5 1 1 1 1 1 1 16057 1 13549 1 6915 13156 1 13520 1 16123 15722 1 10888 11114 14780 1 18207 18007 14456 13028 13623 12754 1 15684 1 1 13524 1 14958 1 14414 1 1 1 17766 1 11271 11980 1 1 1 1 1 17995 17607 17371 1 12177 16377 1 14795 1 17948 1 15169 16631 12098 13441 1 13293 19004 14711 15410 1 1 19624 14178 15047 1 1 13276 13440 16506 17950 1 1 1 1 18448 16971 14360 1 14107 1 214.0598 *214.062* C13 H10 O3 18676 16996 16038 18091 12909 14412 1 14453 1 14874 10098 1 15296 1 14047 1 1 15686 1 1 1 15677 1 1 1 1 1 1 1 1 21354 19791 1 19951 1 16844 1 16273 14278 16025 1 16832 1 1 15602 14614 18663 20441 19954 1 1 1 1 1 1 19092 1 18754 1 20730 1 1 1 1 13999 1 1 1 1 18930 21638 1 1 1 16739 15436 1 1 1 1 24342 1 13844 12255 1 1 1 19239 1 18050 214.062 *214.0663* 214.0663@0.8569259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22197 1 1 1 1 1 1 1 1 214.0663 *214.0923* C5 H10 N8 O2 28330 28791 24142 23173 22057 20503 15865 16561 24153 23214 31441 31803 25531 28924 29130 29631 23049 20643 24867 26754 20505 20045 21243 21979 25292 26368 30050 31201 25580 25604 20153 21848 20266 18379 26202 24655 27421 24443 24324 22310 22152 23653 37394 37302 24193 25189 21333 20422 19527 23024 20170 20276 23824 26545 27268 27810 27483 25283 20211 18854 30055 32083 22044 20289 31109 33241 26054 28122 29255 24289 31902 34065 34346 34352 31423 30480 36438 36635 35162 37074 28614 29807 37132 38389 31135 29537 23622 23668 26549 23341 214.0923 *214.1081* C8 H14 N4 O3 3450 3160 1 1 2627 2234 3303 3784 1 2550 3703 3887 1 1 3595 2986 1 1 3211 1 1 2914 1 2969 1662 3530 3552 3588 1 2005 1 3339 4142 3992 1 3444 1 2012 2778 3376 1 4158 2546 3424 4265 3399 2967 3826 4239 3567 4139 2578 3448 3063 3355 4263 2644 4152 1 1680 2842 1 3339 3661 3916 4574 2786 1 3183 4408 4011 3662 1 2659 2179 3709 1592 1570 1 3473 1 1797 3284 1 1 1 2035 3240 1 1802 214.1081 *214.1092* 214.1092@4.8709145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1092 *214.119* 214.119@6.5560765 1 1 1 1 1 1 4251 4230 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4290 5369 1 1 1 1 1 1 1 1 1 1 1 1 2308 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2695 2852 2573 2334 1 1 1 1 1 1 1 1 1 1 1 1 2416 2512 1 1 1 1 1 1 2778 1 1 1 214.119 *214.1197* 214.1197@6.646519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1911 1 1 1 1 5557 6325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 1 1 214.1197 *214.1549* 214.1549@9.231492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 2893 214.1549 *214.1558* 3-oxo-dodecanoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2892 3264 1 2478 2462 2894 1 1 3845 3492 2864 3316 1 1 1 1 1 1 2436 2702 1 1 2856 2784 1 1 1 2306 2782 2954 4099 3614 1 1 1 1 1 1 1 1 1 1 2671 2467 1 1 4078 4574 4255 4433 1 2328 2726 3020 1 2187 3618 4067 1 1 6990 7033 214.1558 *214.9703* C7 H5 N O3 S2 1 1 1 1 2599 2766 1 1 3259 3512 3861 3755 4987 5310 4668 4842 5911 6785 2539 2749 2236 1 3178 3437 1 1 4238 3769 1 1 3897 3419 1 1 2010 2388 23730 25404 2992 3036 1 1 1 1 1 1 3282 3238 3070 3385 1 1 4072 3553 3873 3736 3231 3197 4662 5353 1 1 5435 5376 10671 10744 3661 3951 1 1 1 1 6506 5861 1 1 1 1 1 2744 1 1 2827 3420 3027 3111 1 1 3644 3260 214.9703 *215.0394* C4 H13 N3 O3 S2 2407 1 1 1 1 1 1 1 1 1 3241 3392 3352 3358 2787 2828 1 2868 4534 4450 3687 3886 3380 3238 4102 3822 2123 1 1 1 2391 2868 1 1 1 1 1 1 4252 4036 1 1 2931 3364 2769 3097 2859 1 3517 3568 1 1 1 2677 3133 3099 3688 3488 3443 3014 1 1 2370 2442 2794 1 1 1 3663 3470 3590 3461 2805 2931 3352 3310 3750 3513 2368 2534 1 1 3583 3550 1 1 1 1 1 1 215.0394 *215.0399* C12 H9 N O S 3088 2933 1 2278 2882 3287 1 1 3178 2988 3412 3264 3712 3894 3715 3696 3632 3365 5205 4876 5054 5640 4709 4451 5443 5119 4730 5629 4853 4995 5743 5685 5405 4718 3630 3496 6220 6357 5351 5606 5061 5197 6210 7020 4930 4479 6065 5730 5304 5785 6279 7080 6983 6818 6687 7179 4850 4249 4691 4880 4808 4801 3847 3478 4082 3906 4897 5311 4673 4532 4666 4667 4821 4293 5477 5510 5086 5325 4750 4797 4942 5049 5078 5390 4341 4291 3399 3496 4721 5486 215.0399 *215.0623* 215.0623@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0623 *215.0832* C9 H14 Cl N3 O 5266 5318 1 1 5018 4899 8427 8619 1 1 6679 5422 4714 4707 1 1 1 1 3728 2878 17071 17619 1 1 3874 4053 3574 3291 18295 18237 16612 16180 9251 8296 1 1 9152 8893 39661 38369 1 1 1 1 22570 22650 8914 9580 1 1 6605 6964 1 1 1 1 13578 13429 10078 10535 1 1 1 1 3235 1 1 1 1 1 1 1 2772 1 16156 16971 6459 6136 22287 22140 3657 4014 3392 1 1 1 1 1 65107 63956 215.0832 *215.0833* C9 H14 Cl N3 O - 2.6596053 4710 5162 5063 4833 9032 9625 5371 6014 3673 3542 8668 13068 4985 4968 4441 4314 5849 5682 10251 9817 15383 15411 4553 5224 14305 14747 10051 9785 6789 7614 7498 7965 1 1 1 1 6397 6592 12707 12611 1 1 9919 9817 11277 11084 9946 9832 5639 5375 9408 9317 5174 5241 5707 5404 7506 7905 11710 11191 6827 6845 7087 6960 5672 5972 6345 6463 5128 5401 1 1 8298 7710 5571 5226 12633 12638 13848 14104 12881 12310 10467 10561 5527 5705 1 1 10869 10297 215.0833 *215.0834* 215.0834@2.6332295 1 1 1 1 1 1 1 1 1 1 4950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.0834 *215.0841* 215.0841@3.738002 3911 3838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 2865 2229 1 2623 2459 1 1 1 1 1 1 1 1 2846 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 215.0841 *215.1507* 215.1507@6.096947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2035 1 1 1 215.1507 *215.9862* 215.9862@3.8496506 1 1 1 3673 1 3348 3459 2935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 3796 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.9862 *215.9864* 215.9864@3.82994 1 1 4251 1 3188 1 1870 1846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.9864 *216.0099* 216.0099@5.217735 1 1 1 1 6601 6742 4738 4211 6517 6318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 5764 6133 1 1 1 1 4868 5101 1 1 1 1 1 1 1 1 1 1 3200 1 3592 1 1 1 5774 5917 4659 4813 1 1 1 1 11023 10459 1 1 1 1 1 1 1 1 1 1 4051 4259 3158 3484 1 1 216.0099 *216.0396* C6 H13 Cl O6 - 1.1841298 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 3493 3149 1 1 1 1 2635 1 1 1 1 1 1 1 1 1 1 1 1 2281 4260 4025 1 1 1 1 12697 13006 4030 6317 7265 8751 6452 4722 4672 4248 3079 3357 2954 3065 5380 7109 7815 3263 6241 5100 3427 3438 6070 5540 5750 5534 3608 3933 1 1 3263 4161 5329 5392 5678 6308 2675 2719 3183 3142 5600 7123 1 2963 2776 2942 1 1 216.0396 *216.0401* C6 H13 Cl O6 402789 418455 368900 374651 495385 445673 439220 453794 539220 534741 413712 434388 495825 553368 356374 367505 683910 675540 597615 595009 481100 501965 536137 612623 429837 605692 569646 571217 390905 313132 798402 796263 561180 601935 538085 578100 796019 796748 639422 659162 686250 674582 1172405 1196408 795681 548230 721412 740392 875088 864020 903382 885080 837622 819628 818819 830606 858956 807572 760694 738165 973062 913421 859831 962296 975939 961437 1056763 1063945 875593 843214 839302 850516 671404 792519 900272 902030 385202 848824 840073 849871 778076 838917 898372 911336 862855 859157 635548 631388 1231405 1231386 216.0401 *216.0452* 216.0452@0.92488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60158 1 1 1 1 1 1 1 1 1 1 133875 1 1 1 1 1 40515 1 1 1 259379 75791 57651 1 1 1 1 1 98448 1 1 1 48716 1 1 1 1 71488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39397 1 1 1 1 1 1 1 1 1 216.0452 *216.0458* 216.0458@0.9299929 1 1 1 1 1 48285 70184 70155 43579 55764 29702 25511 54496 1 1 1 1 1 1 1 42551 1 1 1 1 1 1 1 1 1 1 1 1 60789 79167 1 1 1 48083 42205 24942 1 1 1 1 1 1 1 1 1 1 87938 81058 1 1 1 1 1 1 1 1 71508 1 58913 82176 1 1 1 1 44120 1 1 1 1 1 1 1 1 1 1 1 1 78438 76447 46105 46046 1 1 1 1 216.0458 *216.0548* 216.0548@1.055034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0548 *216.0572* 216.0572@0.9780291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0572 *216.0589* 216.0589@0.93285954 39172 55185 1 1 1 1 1 1 1 1 1 1 1 1 52415 45862 1 1 1 1 1 1 1 1 1 1 1 1 65333 69457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0589 *216.0622* 216.0622@2.907137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 3613 216.0622 *216.0636* 216.0636@2.6007605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2981 1 216.0636 *216.065* 216.065@3.5341089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2495 4502 216.065 *216.0669* 216.0669@2.5004659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 4170 1 1 1 1 1 1 1 1 1 1 1 9395 1 1 4262 1 1 1 5892 1 1 1 1 1 1 1 1 1 1 1 7976 1 3522 6688 216.0669 *216.0716* 216.0716@3.321336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2295 1 1 1 1 1 1 1 1 1 1 1 1 1 2650 1 1 1 1 1 1 1 1 1 1 1 216.0716 *216.0719* 216.0719@3.6933296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2919 1 1 1 4916 1 216.0719 *216.0726* 216.0726@2.6703165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26846 1 1 216.0726 *216.0727* Diphenylmethylphosphine oxide 1 1 4067 1 1 1 1 1 1 1 2401 1 1 3465 1 1 1 1 1 1 3551 5357 1 1 1 1 1 1 1 2899 1 4406 4085 5569 1 4601 1 5738 7088 6471 12810 14115 4702 5764 8368 8609 5025 5569 7606 10328 6845 10155 6159 6915 1 1 9892 11516 6206 6132 8430 8365 7990 8601 10497 1 7766 1 3703 5795 24584 26214 5239 5317 1 2289 7958 6056 9991 9590 9459 10717 15211 14540 5963 5401 26024 4882 4472 1 216.0727 *216.0728* 216.0728@2.3154747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3358 1 1 216.0728 *216.0749* C8 H12 N2 O5 3874 4376 1 1 6457 5296 1 1 1 1 2636 3573 1 1 1 1 8604 8383 6228 4622 1 1 1 1 7191 3035 5290 5571 6703 3880 1 1 16696 17669 6846 22381 3344 4822 1 1 8830 10756 1 3800 1 1 1 1 10260 7960 1 8194 13600 15662 16135 14935 1 1 1 1 12498 11613 14824 14509 36151 39648 45644 1 10276 13151 10327 10759 4629 1 1 34025 1 1 1 1 1 1 1 1 36947 37382 14315 10058 1 1 216.0749 *216.0768* 216.0768@6.5815578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3237 3437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9333 9407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0768 *216.077* 216.077@3.5502558 1 2498 1 1 1 3126 3329 2878 1 1 1 2988 1 1 1 1 1 1 1 2411 1 1 1 1 3734 1 1887 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 2082 2574 2458 1 1 1 1 1 1 1 1 1 1 1 1 2377 1 1 1 1 1 1 3386 1 1 1 216.077 *216.0774* 216.0774@5.308944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7285 7630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0774 *216.0776* O-Desmethylnaproxen - 2.6572826 28246 27242 27177 26152 46454 44731 30913 31787 19057 19054 18468 65568 26142 28225 25544 25892 33596 33104 50743 49812 78528 81932 30127 29283 73002 70135 54190 51226 39176 41372 40421 42684 1 1 19263 1 38603 39340 72293 70035 1 1 54592 54949 63068 61973 56257 57397 34248 33988 55169 52077 35967 36338 38303 36506 46678 47384 70665 68815 42255 43558 46440 46961 1 1 1 41729 32657 33536 1 1 50088 50232 36911 1 70369 64375 75519 78685 73235 70394 63423 62495 1 1 1 1 61376 63817 216.0776 *216.0777* 216.0777@3.2338746 1 1 1920 1 1 1 1 1 1 1 2236 2787 1 1 1 1 1 1 1 1 1 1790 1 1 1 2531 1 1 1662 1789 1 1 1 3207 2843 2170 1 1 1 1 1 1 1326 1519 2423 1948 1 1 1 1 1 1 1 1 1516 1 1 1701 1 1 1 1 1 1 1 2891 1809 1902 1 1 1 1 1 1 1 1 1608 1 1976 2088 2081 1 1816 1558 1 1 2012 1635 1 1 216.0777 *216.079* 216.079@2.5877762 1 1 1 1 1 1 1 1 1 1 46132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.079 *216.0792* O-Desmethylnaproxen - 3.7390716 17723 18062 10236 10579 7092 7847 8451 8508 4260 4364 5940 6491 6032 5514 6885 7808 9117 7891 11212 12244 9402 9939 6349 6394 13136 12069 10081 10057 12507 11349 6586 5961 6253 7609 5106 5264 10984 11636 12555 14801 7256 7138 7745 7942 8243 8444 9995 10102 7014 5961 8039 7410 7642 8816 7541 7811 8298 7696 7892 9672 5686 5343 7819 6336 5714 5180 4610 5885 4815 3665 4605 4373 6623 5251 3398 2764 9555 10318 14219 11283 7982 8618 9431 8582 3456 5671 7847 9185 5564 5767 216.0792 *216.0794* O-Desmethylnaproxen 29239 28307 7243 7360 25220 25661 5872 47304 7219 10003 29519 29357 26449 27708 10362 10708 1 1 20374 19481 86681 89364 12362 12858 24017 21470 22507 21613 6633 54148 7434 80473 47578 45014 1 1 48850 43062 14699 1 1 1 20741 19430 1 114077 50082 49486 1 1 38577 32194 1 1 1 1 73156 72238 53629 55126 1 1 1 1 19893 20719 15162 15432 1 1 1 1 16761 20299 85159 85387 38668 36029 108643 109330 25071 26135 24740 24791 18774 20615 1 1 1 1 216.0794 *216.0801* 216.0801@2.256578 1 1 1 1 1 1 37094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84756 36335 72135 1 1 1 1 1 1 1 180860 187765 1 1 1 1 113747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318064 315163 216.0801 *216.1617* C13 H25 Cl 6229 3883 4139 4458 5672 5723 5558 6273 7911 7837 5774 5276 6184 6225 5722 5818 10731 9365 6819 8314 5904 5673 9846 8995 9224 8975 8437 7535 6287 7045 14447 13137 8460 8850 11054 10050 1 1 10659 10917 11187 11966 1 1 1 11712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1617 *216.1719* 216.1719@9.848945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2909 2680 2549 2731 2138 1 1 1 1 1995 2956 2912 1 1 1 1 1 1 1 1822 1 1 1885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1 2831 3002 1 2436 1 2515 1 1 1 1 1 1 4044 4377 216.1719 *216.2113* 216.2113@0.879896 1 1 1 1 1 1 1 1 2327 2927 1 1 2055 1 2298 2171 3251 2842 2266 2596 2235 1 1 2531 1961 1892 2143 2059 1 2703 3998 3924 3627 2674 3986 4398 1 1 3154 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.2113 *216.215* 216.215@0.8776695 1 1 1 1 1 1 1 1 1 1 1 1 1 2296 1 1 1 1 1 1 1 1 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.215 *217.0263* 217.0263@1.2312704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4227 1 1 1 1 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0263 *217.0272* C4 H12 Cl N3 O3 S 6606 6366 6877 7382 7993 7458 1 1 8069 7087 7337 8456 7687 8707 9102 8468 6447 6607 6812 7706 8838 9121 8819 8763 10476 9910 9778 9490 10798 6078 5943 4926 6266 5722 5891 5746 6208 5676 5338 4627 5286 4949 4544 4316 5099 4917 4735 5060 5067 5777 4383 5183 4355 3949 4071 4293 4570 4388 4657 4054 5115 5464 1 1 3772 3663 3339 3318 3982 1 3590 3676 4016 3834 3984 6410 5080 5545 4677 4406 4786 4357 4934 4640 4213 4025 1 4428 3928 3785 217.0272 *217.0334* 217.0334@1.2444893 1 1 1 1 1 1 7407 7628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3671 3804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0334 *217.034* 217.034@4.937507 11513 11807 1 1 1 1 1 1 1 1 9650 9830 1 1 1 1 1 1 2213 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10112 10800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 4637 3648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9780 11279 1 1 217.034 *217.0408* 217.0408@2.4716318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13481 10570 1 1 1 1 1 1 1 1 1 1 217.0408 *217.0421* 217.0421@2.514608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 1 1 1 1 1 1 1 1 1 1 217.0421 *217.0453* 217.0453@0.9096311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5257 1 1 1 1 1 1 1 1 1 217.0453 *217.0522* 217.0522@0.9229953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5326 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0522 *217.0602* 217.0602@1.2660528 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0602 *217.0606* 217.0606@1.0877004 1 1 1 3484 1 5199 6833 7216 3319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3151 1 1 1 1 1 1 1 1 1 1 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4165 1 1 1 1 1 1 1 1 1 1 1 1 1 4456 4271 1 1 1 1 1 1 1 1 1 1 217.0606 *217.0641* 217.0641@0.9624424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4195 1990 1 1 1 1 1 1 1 1 1 1 4547 1873 1 1 1 1 1 1 1 1 1 6486 1 1 217.0641 *217.0688* 217.0688@0.94201905 1 2762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0688 *217.1049* 217.1049@1.7321906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5116 5239 1 1 217.1049 *217.9355* 217.9355@0.8085005 1 1 1 1 1 1 2385 2426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1560 1 1 1 1 217.9355 *217.9402* 217.9402@14.277621 1 1 1 1 1 1 1 1 1 1 2663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 3108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4637 1 217.9402 *217.9405* 217.9405@14.488862 1 1 1 1 1 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9405 *217.9407* 217.9407@3.012835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9407 *217.9408* 217.9408@10.810917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 217.9408 *217.9411* C3 H7 Cl N2 O S3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5262 5455 1 1 1 1 1 1 1 1 5818 1 1 1 1 1 5351 5519 6398 5323 6047 4817 6783 6472 3691 5837 6059 6155 6708 6648 5696 6450 6810 4078 6564 6150 6163 6821 7146 7176 6519 5995 6477 6428 1 6718 6576 6933 6037 6002 3554 6179 6698 6927 5144 5571 7035 6811 1 6179 6940 5231 6213 6389 1 1 6905 3679 1 1 6223 1 6069 6094 217.9411 *217.9423* 217.9423@0.8086966 1 1 1 1296 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1 1 1 1438 1607 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1440 1 1 1 1 1 1 1589 1 1 217.9423 *217.988* 217.988@3.4863842 1 1 1 1 1 1 1 1 1 1 2332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24219 23676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4844 4901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.988 *217.9881* 217.9881@3.205358 1 1 1 1 2482 2558 7712 7207 1 1 2881 2872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 3286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3155 2943 1 1 1 1 1 1 3722 3658 1 1 1 1 1 1 1 1 1 1 1 1 1 3360 1 1 1 1 3178 3498 1 1 1 1 217.9881 *218.0236* 218.0236@1.185689 1 1 1 1 1 1 1 1 1 1 1919 1 1 1 1 1 1 1 1 1 1 1 3076 1 1 1 1 1 1 17996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0236 *218.0238* 218.0238@5.531003 1 1 1 1 1 1 1 1 3321 3570 1 1 1 1 1 1 1 1 1 3096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 7825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3689 1 1 1 1 1 1 1 1 1 1 3852 4000 1 1 1 1 218.0238 *218.024* 218.024@5.7398744 1 1 1 1 1 1 1 1 3239 3375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4177 4079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3319 3732 1 1 1 1 218.024 *218.0243* 218.0243@5.4648304 1 1 1 1 6901 6762 5089 4499 7993 7938 1 1 2774 2903 3533 3392 3471 3489 4943 5914 1 1 4038 3771 1 1 1 1 1 1 1 1 3159 4426 1 1 1 1 1 1 8763 4261 1 1 1 1 2882 2873 3853 3377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5697 4648 5891 5563 1 1 1 1 9869 9870 1 1 1 1 1 1 1 1 1 1 6030 6343 1 1 1 1 218.0243 *218.0246* C4 H6 N6 O3 S 47820 46522 51582 54303 63163 60939 1 1 59561 61185 62171 63163 54094 52997 73822 77704 49219 48007 61002 61781 65712 67256 67494 66078 65934 67983 68573 67110 79048 60081 25925 22877 53986 24420 41957 46361 46453 48952 18988 21072 43652 41597 35309 34125 19348 20335 38232 39316 57046 48876 17225 18544 36673 32769 20562 36120 36890 34604 13156 32979 19874 19624 1 1 12938 17282 26807 13362 35914 34062 12121 14085 19573 36773 32457 25732 21618 22175 34165 34742 15952 17063 34000 33512 35579 34618 15983 15586 15084 15991 218.0246 *218.0252* 218.0252@1.4404945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10606 1 1 1 1 1 1 1 4784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0252 *218.0293* 218.0293@1.2276882 1 1 1 1 1 1 48000 51929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 5207 1 1 1 13852 15158 1 1 1 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0293 *218.0295* 218.0295@1.03643 1 1 1922 1757 2118 1 1 1 1 1681 1 1 1 1566 6206 3798 1 1 1 1 2788 3368 2038 1 5463 5006 1 4455 3445 2351 1 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0295 *218.0339* 218.0339@1.1811175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1631 2377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1708 1 1 1 1 1 1 218.0339 *218.0384* 218.0384@0.9179947 1 1 1 1 1 1 1 1 1 1 22330 19141 1 1 86237 1 1 1 1 1 1 16109 74614 1 103531 1 1 1 103435 1 1 1 1 1 1 1 1 1 7393 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 17537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161618 1 1 1 18604 1 1 1 1 1 1 1 1 1 218.0384 *218.0476* 218.0476@1.2679073 1 1 1 1 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1222 1549 1 1 218.0476 *218.0492* 218.0492@1.1518018 1 1 2428 3207 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0492 *218.0559* C8 H14 N2 O S2 8560 12891 13329 15366 15777 16555 29245 26893 13768 12266 9576 11839 9261 8207 9417 8173 10861 11132 9163 9571 8390 9281 17739 16280 11436 10953 12549 13870 9722 8030 12483 13400 10028 10206 10392 8096 3153 10116 8027 8807 16063 11768 10129 5862 12035 11420 8430 11465 13680 8887 10747 11684 5590 4457 5583 7270 13238 12578 4880 5857 6137 6921 6617 7023 15043 15747 6947 9244 6641 9401 6725 5866 8345 6280 5214 4852 5908 6463 20175 20601 9659 10391 11484 9864 18044 17072 12937 11715 6258 5697 218.0559 *218.0568* 218.0568@1.237026 2499 4105 1 1 1 1 5282 5708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0568 *218.057* 218.057@7.321684 1 1 1 1 1 1 1 1 1 1 4571 4315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9185 8443 1 1 1 1 1 1 1 1 1 1 218.057 *218.0669* 218.0669@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0669 *218.0866* C15 H10 N2 1 1 1767 1 1 1 1 1 1 1622 1 2107 1 1 1972 2181 1 1 2235 2225 1 1 2594 2196 1 1 1 1 1 1 1 1 1 1 1 1 3186 3503 1 1 1650 1 3056 2769 3525 3305 2463 2535 3882 4360 2649 1 2522 2501 2559 1977 2163 2291 2154 1 2400 2365 2150 2112 1 3508 3116 3253 2483 2427 1 1 2313 2397 3130 2565 2282 2719 1 1 4556 3855 3761 3996 1 2232 1979 2428 1 1967 218.0866 *218.0939* 218.0939@8.3912525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3465 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0939 *218.1586* 218.1586@0.8833109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 2249 1 1 1 1 1 1 1 1 1778 1 1 1 2729 1 2463 1 1 1 1 1 1 1 1 1 4588 1 1 1 1 1 1 1 1 1 1 3373 1 2468 1 1 1 2250 1 3143 3290 2941 1 1 1 1 1 1 1 2934 1 2513 3011 3644 1 2773 3146 2918 1 2735 3797 3487 1 1802 1 2154 5213 4538 218.1586 *218.1612* 218.1612@0.88352555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 2685 1 1 1 1 1 3974 1 1 1 1 1 1 1 1 1 1 2063 1 2140 1 1 1 1 1 1 1 1 1 3971 3265 1 1 1 1 1 1 1 1 3090 1 1 1 3128 1 1 1 1 1 1 1 1 1 218.1612 *219.0232* 219.0232@1.2442715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8889 7729 1 5946 1 1 1 1 5459 5273 1 1 1 1 4721 4970 1 1 1 1 6336 5914 1 1 1 1 1 1 3963 1 5434 5267 3804 4226 3833 4199 1 3352 1 1 4455 4963 4704 1 1 7504 6629 6685 1 1 4614 4920 1 1 1 1 5098 4734 5364 5009 219.0232 *219.0429* 219.0429@0.91786087 1 1 1 1 1 1 1 1 1 1 8153 8307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4933 4876 1 1 1 5525 1 1 1 1 1 1 1 1 1 1 10290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0429 *219.0457* 219.0457@0.9210018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0457 *219.0636* 219.0636@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0636 *219.1097* Pantothenic Acid 1 1 2415 1 4694 4766 1 1763 2413 2116 4142 3979 1 1 1 1 3525 4121 4534 4596 6622 6048 4111 4203 1 1 4378 4745 1 1 1 1 1 1 1 1 1 1 7410 7949 2235 2133 2038 2083 3647 3563 2554 2978 1 1 2533 2495 1 1 2492 2855 3480 3625 1 1 1 1 1 1 6086 6175 3827 3487 5219 4792 2143 2613 2581 2964 5661 6972 2363 2614 2121 2167 3691 3693 9365 9905 1951 2131 1616 1 7183 6818 219.1097 *219.8807* C3 H2 Cl2 O3 S2 9944 10173 12044 11774 11195 10727 12409 11841 11410 12064 8503 9826 11632 12120 11941 11662 12460 12598 11866 11960 11347 11764 11510 11835 11900 12548 12154 11306 11637 12433 11493 11440 11208 11707 11057 10933 12351 11895 11235 11455 11571 11604 11647 11711 13031 12535 11810 12163 12528 12545 12223 12371 12646 12896 12790 12934 12028 11891 12087 11601 11324 11345 10501 11408 11805 12087 13135 12782 13272 13636 11663 11875 12404 12684 12508 12634 13105 13143 12221 12768 13709 13479 12466 12025 12160 12291 12602 12050 13009 12878 219.8807 *219.939* 219.939@14.147293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 219.939 *219.9397* 219.9397@3.0341902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4502 1 1 1 1 1 5364 1 1 1 3646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.9397 *220.002* 220.002@4.0231943 1 1 1 1 1 3077 13112 13406 3913 1 1 1 6414 6697 11903 12373 1 1 1 1 1 1 2914 3041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5395 5480 1 1 6767 6947 4846 5101 10382 10526 1 1 1 1 1 1 1 1 4787 4435 5593 5567 1 1 5805 6273 3886 3577 1 1 1 1 1 1 1 1 1 1 6039 6217 1 3371 1 1 8246 7636 3741 3563 5549 5268 220.002 *220.0165* 220.0165@1.3203107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7092 5430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6522 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0165 *220.0189* 220.0189@1.2488427 1 1 1 1 1 1 1 1 3638 3367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29241 28736 1 22987 1 1 1 1 18165 17647 1 1 1 1 14690 14196 1 1 1 1 23846 19440 1 1 13678 1 1 1 11614 1 18330 17604 12797 17202 12459 13003 1 10302 1 1 17069 23819 15425 1 24355 23590 22879 22226 1 1 16952 16955 1 1 1 1 15352 19208 18714 18180 220.0189 *220.0386* 220.0386@0.98854315 1 1 1 1 4044 1 1 1 1 1 1 6439 1 1 1 1 3752 1 1 1 1 1 1 1 1 1 3778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0386 *220.0393* C8 H12 O5 S 4568 1 3722 3547 3626 3835 1 1 4768 1 31491 24497 3664 3604 2995 1 1516 2627 14699 13573 9706 9795 7189 5894 3887 4102 4686 7957 10040 8618 5333 4665 5930 5947 6676 5712 1 1 1 1 1 1 1 4054 3136 5335 1 1 1 1 1 1 1 3508 3078 1 4115 3768 2643 2583 1 1 1 1 1 1 3444 3182 1 1 2860 2652 1 1 1 1 2997 3278 1 1 7132 6770 1 1 5961 5855 7403 6541 1 1 220.0393 *220.0444* 220.0444@0.94152206 1 1 3545 3025 1 3291 3169 6412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2809 1 1 220.0444 *220.049* 220.049@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.049 *220.0661* 220.0661@0.9260806 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0661 *221.1531* Procarbazine 3464 3487 3803 3909 4088 3780 4731 4862 3962 3830 4601 4493 4648 4490 4963 4765 4377 4461 4214 4792 6161 5275 5273 4955 5126 5126 4658 4323 4783 5450 5900 6278 6587 6483 5514 6044 6420 5865 6861 6607 6126 6494 5818 6035 5648 5479 7419 7116 6992 6744 7308 7263 6446 6065 6054 6102 6404 6294 7001 7854 6727 6359 4785 4409 7781 7784 7373 6912 7456 7359 7072 6837 7468 7081 7338 7333 7115 6774 6550 6584 6343 6110 6410 6128 7356 8176 7436 7386 8225 8204 C07402 221.1531 *221.8775* C6 Cl2 O S2 9878 9669 11664 11337 10284 10402 11573 10790 11205 11161 9162 9242 11119 11745 10948 11688 12112 12507 11399 11910 11234 10983 11544 11402 11756 11927 12062 10962 11385 11118 10396 10908 11822 11296 10869 10681 12067 11424 10918 11266 11210 11832 11551 11227 12565 12115 11168 11549 11940 11813 11768 11839 11990 12334 12493 12415 11359 11753 10870 11878 10856 11888 11122 10655 11493 11560 12180 12573 13222 13029 10936 11196 11746 11618 12317 12361 13016 12427 12729 12387 12966 13028 11924 12000 11605 12579 11978 12171 11938 12558 221.8775 *221.9475* 221.9475@7.0481367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3690 4181 1 1 1 1 1 1 3936 1 1 1 5004 5281 1 1 6637 6652 4462 4199 5389 5350 1 1 2502 1 1 1 1 1 1 1 1 1 1 1 1 1 4905 1 1 1 1 1 1 3657 5483 5469 1 1 1 1 1 1 1 1 3939 1 1 1 1 1 1 1 1 4186 1 1 5773 5486 221.9475 *222.0149* 222.0149@5.1727242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3542 3433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0149 *222.0192* C10 H7 Cl N2 O2 2395 3254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3319 1 2941 1 3492 1 4506 3015 1 1 5277 3780 3359 4277 2962 1 1 3729 1 1 1 2993 3881 5354 5381 3581 3378 4014 3589 3700 5623 1 4620 6247 3899 1 3842 3286 5519 1 1 5984 3948 3792 3267 3724 6597 6957 3924 4838 5250 5359 3801 5562 3967 1 1 3031 222.0192 *222.0623* 222.0623@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0623 *222.069* 222.069@4.2998238 1 1 1 1 1 1 1 1 2367 1 1 1 1 1 5919 5973 1 1 1 1 1 1 1 1 1 1 2938 3353 2741 2343 1 1 9245 9567 2589 2651 5317 4334 5458 6041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6682 6234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.069 *222.0859* 222.0859@4.007519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3336 3662 222.0859 *222.1239* 222.1239@6.579681 1 1 1 1 1 1 1 1 1 1 1 1 9103 9728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1239 *222.1247* 222.1247@8.083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1247 *222.1607* KOBUSONE 8303 7949 9665 10119 9533 9949 11750 10522 1 8880 10565 1 1 1 12122 1 10357 7815 1 11354 13087 13247 12433 12369 11549 12407 1 10405 13387 10905 12679 13798 13734 1 1 1 1 1 15056 1 15871 15122 14408 14792 1 12618 16816 1 16154 1 17811 17254 13640 13448 14404 1 15289 14559 17273 16985 1 15037 10267 9567 1 20350 15760 15749 16439 16225 16948 17504 15577 15899 15219 15929 15932 16725 1 14581 13059 12922 14054 14733 1 18750 16347 17099 18218 18796 222.1607 *222.161* 222.161@8.968353 1 1 1 1 1 1 1 1 9934 1 1 11246 10068 11029 1 11500 1 2514 10939 1 1 1 1 1 1 1 10542 1 1 2672 1 1 1 14639 13783 13657 15448 14775 1 15157 1 1 1 1 12404 1 1 16675 1 15634 1 1 1 1 1 15402 1 1 1 1 15319 1 1 1 22038 1 1 1 1 1 1 1 1 1 1 1 1 1 14326 1 1 1 1 1 17846 1 1 1 1 1 222.161 *222.9628* 222.9628@7.4495454 1 1 1 1 1 1 2993 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 4062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1995 1 1 1 1 1 222.9628 *223.0083* 223.0083@5.442637 1 4890 1 1 1 1 5761 5634 7476 1 2019 4630 1 1 1 1 3163 3524 9501 3731 10402 9837 9487 9046 1 1 1 1 1 1 1 1 1 1 3759 1 1 1 6157 5885 7803 8077 1 1 6868 10002 1 1 1 1 1 1 1 2540 1 1 6780 6398 5413 5147 1 1 1 3115 4877 5255 3367 5483 5226 5606 1 5547 1 1 2958 3130 5849 5619 1 1 1 1 6916 1 3255 3320 1705 2585 1 1 223.0083 *223.0085* 223.0085@5.4731326 1 5736 1 1 1 1 1 1 1 1 1589 8923 1 1 1 1 1 1 1 6036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8460 1 1 223.0085 *223.0088* 223.0088@5.492843 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 223.0088 *223.0367* 223.0367@3.1659262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0367 *223.0564* 223.0564@0.8328407 1 1 8610 8794 1 1 9918 1 1 1 1 1 1 9865 1 1 10347 1 1 1 7739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11279 1 12966 1 1 1 1 1 1 12485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11636 11792 1 12826 12305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0564 *223.071* 223.071@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.071 *223.1192* 223.1192@7.305229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2361 2626 1 1 1 1 223.1192 *223.1566* 223.1566@4.126177 2327 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1623 2782 3620 4799 5021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2996 2672 1 1 223.1566 *223.8785* C5 H Cl O2 S3 6564 3387 6770 7037 6817 5739 6127 7140 6513 6995 6632 6383 6682 6945 6898 6947 4560 7104 7003 7030 7038 6671 6959 6993 7154 7057 4566 7019 6406 5998 4111 4171 7526 7432 6825 3900 6962 6908 4057 7951 3973 7399 6816 7507 7026 6906 7003 6378 7260 6462 6809 6662 4640 7210 4491 7241 7670 10219 4036 7439 7322 6974 7148 7427 8015 7427 5574 7305 6640 7805 4082 7418 7130 4561 7685 7557 4604 7678 7590 8000 5171 7290 7524 7400 7448 8007 4445 7380 7305 6676 223.8785 *223.9453* 223.9453@7.0504494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4183 3845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3394 1 223.9453 *223.9987* 223.9987@1.7486792 1 1 1 1 1 1 6005 7107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10072 9484 10225 9962 1 1 1 1 1 1 1 1 1 1 17144 19296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5852 5961 1 1 1 1 11704 11269 4559 5058 1 1 223.9987 *224.0133* 224.0133@5.711081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4950 4223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0133 *224.0579* 224.0579@5.244995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5345 6430 1 1 1 1 224.0579 *224.0755* 224.0755@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0755 *224.0755* 224.0755@0.9074031 1 1 1 1 1 1 1 1 1 1 1 7891 1 1 9775 1 1 8192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8452 1 1 1 1 1 1 1 224.0755 *224.1036* 224.1036@7.1840243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2449 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 2815 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3297 3444 1 1 1 1 1 1 1 1 1 1 2458 1 2131 1 224.1036 *224.1404* Methyl jasmonate 2878 2297 1 1 1 1 8991 9204 1 1 2458 2647 1 1 1 1 4322 3978 2416 1 3296 2478 3546 2918 1 1 1 1 1 2028 2774 2366 7291 7579 3594 3105 3403 3486 6319 6123 2505 2740 1 1 5035 5208 3009 3836 3030 3195 3112 3123 2685 2228 1 1 5461 5566 8256 8494 1 1 1 1 2427 2702 2220 1 2745 2434 2190 2274 1 1 2586 3096 4857 4318 5918 5916 3268 3252 3949 4453 12866 12528 6365 6785 2615 2579 C11512 224.1404 *224.1767* 224.1767@11.531952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4299 3787 224.1767 *224.9605* 224.9605@7.4501605 1 1 1 1 1 1 3048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4118 3799 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1 1 1 224.9605 *225.052* 225.052@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.052 *225.0682* 225.0682@6.448542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6035 1 1 1 1 1 1 1 1 1 1 225.0682 *226.0049* 226.0049@8.471768 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 3113 3498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0049 *226.0053* 226.0053@4.8987365 2588 1 1 1 1 1 1 1 1 1 1 3485 1 1 1 1 1 1 1 7212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0053 *226.0054* 226.0054@3.6091015 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0054 *226.0056* 226.0056@3.258819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0056 *226.0059* 226.0059@3.9172416 5118 5604 5685 5092 1 1 1 1 1 1 1 5048 1 1 3632 1 1 1 1 6168 1 1 1 1 1 1 1 1 1 1 1 1 4004 5639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0059 *226.0059* 226.0059@8.455034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0059 *226.0061* 226.0061@4.270093 1560 4935 1 1 1 1 1 4711 1 1 1 1 1 3675 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 1 5018 3342 1 1 1 1 1 6933 1 1 1 1 1 1 1 4001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0061 *226.0688* 226.0688@2.3130152 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5028 4375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0688 *226.069* 226.069@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.069 *226.0692* Glucoheptonic acid 6661 7080 1 1 53269 52700 9475 11526 33389 34908 55051 59801 8148 8251 18615 18332 1 1 23591 22897 1 1 11246 11184 1 1 4467 1 5755 1 21032 22409 58166 58211 60492 62102 62024 62847 6319 4989 24341 23128 16705 17215 53063 53559 83480 83269 6635 8006 13916 13600 6285 7178 1 1 9388 8477 44561 45908 1 1 1 1 45535 45557 128413 130967 11494 12736 35841 37440 1 1 24502 24314 1 1 1 1 26737 26572 31847 31529 62130 60913 43040 42442 25798 24709 226.0692 *226.0712* C8 H10 N4 O4 4546 3979 5309 1 4288 4562 3738 1 1 1 4873 5075 4318 4396 1 4812 1 1 1 1 4527 1 5964 1 1 4364 4593 4774 5039 3907 4155 1 3677 1 1 3732 4609 4168 1 3960 1 4596 1 4976 1 1 5050 1 1 4374 3761 4435 3987 4808 5295 4573 4456 4406 5340 5472 4863 5837 1 1 4415 1 4451 4914 1 5636 4994 5235 5683 5402 5289 5555 5566 1 1 3525 1 1 4868 1 4621 4725 1 1 4771 1 226.0712 *226.0719* C8 H10 N4 O4 - 0.89136636 24840 26699 8618 1 1 1 10555 17749 9721 1 17009 1 25449 15154 25273 1 1 22232 1 1 1 1 1 22119 1 33636 16799 1 30326 1 32904 1 29670 17754 1 33490 35739 1 26570 17314 19101 20203 1 11313 34816 34044 25213 26031 1 1 1 1 33335 1 1 9113 1 25974 1 1 53158 35253 1 45560 1 1 55603 58050 1 1 1 1 1 27792 1 1 1 47446 1 1 22926 1 1 1 1 8577 23616 24485 1 1 226.0719 *226.0722* 226.0722@0.9249473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24327 1 1 1 1 1 17434 1 1 1 1 5676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0722 *226.0724* C6 H10 N8 S 3888 1 2463 8197 21195 24000 21003 3302 10421 17955 2713 18851 1 3925 1 16512 19148 1 1 24783 1 1 24065 2529 23251 1 3649 4442 1 2483 5018 2408 1 3061 25350 1 4484 3209 1949 4272 4665 4604 1 1 1 1 1 1 3305 1 1 6463 1 6291 24721 2576 6188 3623 3455 3216 2895 2363 1 4810 1 1 1 4933 6075 4915 1 3801 4190 4757 1 1 4061 3478 29178 1 4747 3584 3091 1 6202 1 3122 4220 1 8489 226.0724 *226.0818* 226.0818@0.89941525 1 1 1 3354 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 2292 1 1 1 2353 2758 1 1 1 226.0818 *226.0865* 226.0865@7.0264707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3127 3436 1 1 1 1 1 1 1 1 1 1 226.0865 *226.0889* C12 H10 N4 O 2612 1 2180 2393 1 1 1 1 1949 1 2963 1 1 1668 1 1876 1695 1791 1 1518 2103 1883 2109 1 2468 3091 2446 1752 2641 2734 2588 2173 2094 1 1 1 2151 1631 1 2182 1756 1791 1539 1948 1 1 1 2032 2033 1 1 1712 1651 1 1979 1638 1 1 1 1 1 2447 2132 1753 1 1 1 1 1 1 1540 1756 1738 1 1 2036 2049 2243 1 1 1 1 2558 1 1 1959 1 2245 2191 2123 226.0889 *226.1195* 226.1195@6.7415338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 4058 3244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1195 *226.1555* 226.1555@7.5869503 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 2854 3798 1 1 1 1 1 1 4446 4731 2389 1 3248 3616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3152 3201 1 1 1 1 1 1 1 1 1 1 1 1 3037 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1 226.1555 *226.192* 226.192@12.132008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10849 10981 1 2754 1 1 1 1 10722 10185 1 1 2675 2232 1 1 2362 1 1 1 6843 6526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16606 16194 226.192 *226.1921* 226.1921@12.316943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 2959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5477 5103 226.1921 *226.9915* 226.9915@0.8739842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.9915 *227.0241* 227.0241@5.8123827 1 1 1 1 1 1 1 1 1 1 4258 3722 1 1 1 1 1 1 1 1 1 1 1 1 4942 4697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5160 5077 1 1 1 1 1 1 1 1 3208 3651 1 1 227.0241 *227.0244* C9 H9 N O4 S 4134 4841 1 1 8153 8173 27525 28430 9635 9909 25169 23698 3317 3304 10333 10644 1 1 4814 5097 4969 4702 6675 6233 47628 47681 3716 5213 1 1 9648 9255 16823 16582 15410 15408 1 1 1 1 1 1 3467 3191 1 1 1 1 4333 4090 6128 6176 1 1 4603 4084 1 1 1 1 1 1 1 1 3578 3358 8671 8713 12777 13241 11235 11401 4696 4566 3748 3529 30468 29131 4573 4369 1 1 1 1 22340 22946 26414 25251 1 1 227.0244 *227.0565* 227.0565@8.537816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0565 *227.0834* 227.0834@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.0834 *227.9726* C9 H8 O S3 12638 12180 11564 13889 13282 11917 15439 15756 13550 12484 10765 10086 13728 11808 12689 13925 13020 13380 12192 11098 10275 9424 10934 9375 10862 12064 11344 11169 12624 12070 10118 9850 13232 12398 12320 13398 12083 11899 13428 11952 12184 11960 11615 11783 12182 12632 13091 12591 13010 13069 11613 11862 13147 12369 12170 11869 12602 11700 13347 12926 12309 13066 11949 9988 10241 9621 10019 11233 12138 11989 12096 12703 12459 13282 12159 13003 11255 12253 12136 12348 14180 13726 13107 12869 12038 10952 14147 13728 13028 11582 227.9726 *227.9849* 227.9849@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.9849 *228.0033* 228.0033@1.048476 1 1 4040 4438 1 1 1 1 4879 4916 1 1 1 1 1 1 2759 3203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7393 7731 3742 1 1 1 1 1 5854 6258 1 1 1 1 1 1 1 1 1 1 1 1 3010 1 5442 5703 1 1 3498 1 1 3040 4015 3960 1 1 9257 8494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0033 *228.0452* 228.0452@6.358695 1 1 1 1 1 1 1 1 1 1 1 1 2953 3057 1 1 1 1 1 1 1 1 3507 3506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 3895 4530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 1 1 1 1 1 3429 1 1 228.0452 *228.0593* C8 H17 Cl O3 S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6344 2930 7185 6895 6725 5103 7520 7045 5258 1 1 7260 4502 4001 4249 3469 2991 8214 2832 4112 8483 7545 9601 5969 7523 7538 9048 5031 5699 10174 8172 2910 4778 3247 8003 4991 228.0593 *228.0593* 228.0593@2.7243047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4342 5432 5808 4337 1 1 1 1 1 1 3349 1 1 1 3815 1 1 1 6196 1 4329 1 1 228.0593 *228.0595* 228.0595@3.132371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 2353 1 1 1 1549 1 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 3944 1 1 1606 1 2736 2480 1 1 1 1 228.0595 *228.1078* 228.1078@0.8334526 2614 2451 1 1 1 1 1 1 1 1 1 1990 1 1 2287 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2381 2664 2285 1 1 1 1 1 1 1 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3134 3122 1880 2270 1 1 1 1 1 1 1 1 228.1078 *228.1178* 228.1178@1.0550395 2492 1 1 1 1 1 7035 6849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1178 *228.1345* 228.1345@7.4172606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4483 4844 1 1 1 1 1 1 5994 5760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3981 4883 228.1345 *228.1351* 228.1351@8.530813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6858 7604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 3465 1 1 1 1 228.1351 *228.1353* 228.1353@7.343494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2902 2670 1 1 1 1 1 1 4432 4080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3253 1 1 1 1 1 3036 2572 2080 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 3524 4051 228.1353 *228.1353* 228.1353@8.65221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16527 16392 1 1 1 1 1 1 5206 6376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 6488 7646 1 1 1 1 228.1353 *228.208* 4,8-dimethyl-dodecanoic acid 33396 34885 34534 33612 41871 42230 42754 44997 24281 26440 32556 33993 33675 34161 27874 27274 27177 28605 29707 32502 53154 53990 30026 29100 26004 26553 28098 28226 42578 43084 78252 79585 54903 57654 28568 29718 47771 51757 104299 80999 30058 31518 57501 57249 48374 47109 55042 56997 33642 31747 71902 69729 38995 42947 35048 34714 38417 38871 43538 44297 27501 27787 26484 26080 37534 38924 30285 29764 34834 30421 36195 36740 34892 33615 32696 35146 35664 35273 53906 54268 38712 39994 34100 32196 44330 45573 27983 27896 111409 109287 228.208 *228.2081* 228.2081@13.065549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.2081 *229.0027* 229.0027@3.8911545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0027 *229.0034* C12 H7 N S2 1 1 1 1 9650 9608 4734 5024 4550 4668 1 1 1954 2158 5328 4589 8720 8944 1 1 1 1 1 1 6570 6124 1 1 1 1 2432 2656 3541 3559 1 1 11692 11899 6031 6155 2316 2260 2169 1 5768 6083 1 1 1 1 12088 11475 1 1 3713 3777 3351 3526 1 1 2255 1 8926 8035 9424 7995 7919 7093 1 1 6637 7147 9550 9759 1 2280 16848 17071 3193 3467 1 1 1 1 1 1 1 1 1 1 229.0034 *229.0036* 229.0036@3.3076782 1 1 1 1 1959 1 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2055 1 1 1 1 1 1 1 1 1 1 1 1 2188 2415 1 1 1 1 1 1 1 1 1 1 1 1 2380 2283 2143 1704 1 1 2142 1 1 1 1 1 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0036 *229.0705* 229.0705@13.484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0705 *229.9092* C9 H Cl3 O 18861 18968 21768 34634 19971 19589 20869 21870 19262 18802 14269 17489 20309 20747 20028 20604 21025 20911 27996 20827 21115 20817 21029 20917 21673 21653 35533 35183 20756 1 20383 20275 21061 20781 19777 19829 20604 21701 19539 19721 20438 21515 21589 20900 36056 21571 20583 20727 22217 21719 20344 21214 21169 21078 22029 22458 20794 20383 20160 21570 19554 20094 19535 19439 21312 20429 22904 22826 22776 22499 27169 21388 21152 36458 21235 21660 22899 22886 21368 20624 22832 22548 33670 21387 20705 21130 20157 20261 21427 21355 229.9092 *229.9725* 229.9725@0.7973321 1 1 2502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.9725 *230.0018* C6 H11 Cl O5 S 2956 3011 3481 1482 3047 2451 3058 3445 2728 2656 2558 2615 2164 2212 2312 1 2156 2212 2528 1 2198 1969 1908 2085 2234 2364 2165 1 1879 2133 1 1606 1846 2302 1 2192 1 1935 2008 2053 1 1 1 2227 1887 2174 1 1 1898 1 2196 1 1 1 1861 1 2112 2141 1 1 1 1 1 1 1 1766 1922 1 1 1 1 1946 1 1 1 1 2176 2000 1530 1 1 1 1 1 1 1 2444 1 1 1 230.0018 *230.0023* 230.0023@4.785564 1 1211 1838 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0023 *230.0235* 230.0235@5.3898783 1 1 1 1 1 1 4743 5521 1 1 4084 6464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0235 *230.0246* 230.0246@5.847574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6141 6046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 2693 1 1 1 1 1 1 1 1 230.0246 *230.0256* 230.0256@5.886605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 1 1 1 1 1 1 1 1 230.0256 *230.0598* 230.0598@1.4130085 1 1 1 1 1 1 1 1 1 1 1282 4636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5457 230.0598 *230.0603* C10 H14 O4 S 3701 1 14484 13944 1 1 1 1 100493 101591 1 1 13254 15189 20547 21428 1 1 6247 1 3374 1 176205 176507 1 1 15930 17120 1 1 1 1 1 1 1 1 1 1 1 1 1 7687 1 1 94868 96342 1 1 41452 39277 1 1 1 1 4859 1 105953 110113 1 1 14249 12987 19100 20019 16739 19446 11214 13391 3894 3763 137403 140407 1 1 1 1 1 1 1 1 149623 149839 91629 85270 108586 111126 11443 12485 1 1 230.0603 *230.0615* 230.0615@6.605142 1 3575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7761 1 1 1 1 1 1 1 1 1 1 3928 1 1 1 4716 1 1 1 1 1 1 1 1 2802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0615 *230.0756* 230.0756@2.2601776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5404 5263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15281 14570 230.0756 *230.0758* C14 H14 O S 14168 13580 8986 8999 5686 7203 6064 6296 4857 4216 3247 5866 5435 6266 6095 5350 8871 9913 10236 9644 7404 8095 6283 6176 10068 9656 7795 7555 8443 9044 7116 7101 9130 9169 5173 5644 14803 14332 15808 15618 11071 10431 12642 12869 11655 12637 13457 13690 11255 12256 12121 11512 17594 17641 14877 15706 17229 17691 17631 18130 12991 12628 17089 16045 10622 11875 14343 13656 11312 11046 11395 11360 15149 15646 10314 10325 18560 19098 21074 22834 17481 16883 20134 19779 13428 13336 16007 15732 16104 16029 230.0758 *230.0759* C14 H14 O S - 2.6581879 1 1 1 1 3850 3731 1 1 1 1 2590 5564 1 1 1 1 1 1 4295 4918 6549 6311 1 1 3034 5957 4180 4153 1 1 4142 5038 1 1 1 1 4908 4802 8091 8608 1 1 7998 7998 8289 8724 7568 7877 4267 4751 8242 8527 5910 6005 6218 6785 9511 9652 13448 13073 7742 7873 9762 10364 7512 7450 8840 9879 2554 7379 5121 4790 11827 10577 6245 5074 14479 14781 14087 11150 14055 13869 13275 13901 7480 7221 4940 4674 12095 13494 230.0759 *230.0763* C6 H10 N6 O4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2555 3295 1 1 1 1 1 1 1 1 1 1870 3040 2893 1930 1 2726 3363 2732 2836 2623 2739 1 1 2857 3123 1 1971 2902 3102 2296 2548 1 1 3433 3077 2331 1 3122 3416 4275 3744 3345 2860 3654 3477 1 1 2882 2912 2911 4332 230.0763 *230.0767* 230.0767@2.6749578 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4447 1 1 1 1 1 1 1909 1 1 1 3609 1 1 1 1 1 1 1 1 1 1 230.0767 *230.0896* Pro Asp 1 1 1 3023 1 1 1 1 1 1 1 1 1 1 1 1 6267 5825 1 1 4423 4004 4358 5613 7580 8604 4217 1 1 1 6741 6900 1 1 1 1 7815 7370 1 1 3167 4464 3994 4796 8658 8814 1 1 6326 6113 1 1 1 1 5370 4838 4043 1 1 1 5812 5358 5100 4117 4857 5057 7501 7545 5705 7366 5694 5520 1 1 1 1 1 1 7325 8093 1 4649 4242 4749 1 1 1 1 1 1 230.0896 *230.1506* 230.1506@7.7561846 1 1 1 1 1 1 7546 8463 1 1 1 1 1 1 1 2037 1 1 1 1 3278 3371 1 1 1 1 1 1 1 1 10931 12036 3163 2960 1 1 4024 3861 7956 7512 1 2077 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 1 1 1 1 1 1 4196 4687 2948 3080 1 1 1 1 3723 3379 1 1 3049 3394 1 1 5341 4791 4343 4144 1 1 3233 3040 2092 2267 10393 10255 230.1506 *230.1508* 230.1508@7.65035 1 1 1 1 1 1 3433 3819 1 1 1 1 4463 4521 1 1 4512 4837 1 1 7459 7345 43708 40320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9109 8232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2615 3125 1 1 1 1 1 1 7959 7343 2548 2819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3250 3458 1 1 1 1 230.1508 *230.2188* 230.2188@8.39275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5193 6285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.2188 *231.0193* C8 H9 N O5 S 2666 2825 6526 7121 11155 11589 23586 23871 11413 9813 39422 38445 4082 4132 12379 11655 1 1 16153 15843 10443 9430 13287 12639 54244 54657 10479 9944 4323 4586 13545 14529 20166 20744 28669 28381 1 1 3187 2952 4027 4482 9821 9965 1 1 1 1 12484 13121 12044 13025 1 1 10441 10524 4612 5466 1 1 1 1 5579 5158 1 1 18315 18457 39024 39789 7790 7062 12373 12814 5319 5552 33803 33071 2363 1 1 1 3210 3274 21095 21048 44403 44693 1 1 231.0193 *231.0195* 231.0195@3.7924328 1 1 1 1 1 1 4389 4404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4871 5168 21518 20775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 3130 1 1 1 1 1 1 4888 4760 1 1 1 1 1 1 2408 2060 3412 3471 231.0195 *231.0201* 231.0201@3.151855 190393 197591 1 1 1 1 905451 912908 1 1 1 1 258599 267153 1 1 1 1 1 1 1 1 1 1 1 1 25213 26216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4444 4687 309980 310238 1 1 5762 6405 1 1 1 1 1 1 418209 421029 1 1 7101 7540 1 1 151056 153014 1 1 1 1 1 1 1 1 1 1 1 1 179812 180885 1 1 3042 3586 1 1 486055 487913 231.0201 *231.0426* 231.0426@1.0420055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0426 *231.0561* 231.0561@2.82453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3523 4343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0561 *231.0783* 231.0783@1.2772536 1 1 1 1 1 1 3084 3309 4406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0783 *231.147* 231.147@3.1564503 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4382 4102 1 1 1 1 1 1 1 1 1 1 4033 4154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1303 1 1 1 1 1 1 5020 6363 231.147 *231.1971* 231.1971@3.1636744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1738 231.1971 *231.9065* C7 H Cl O3 S2 12816 12372 13740 1 13165 12263 13773 13071 13081 12604 12475 11576 12858 13203 13148 13110 14329 13877 14050 13826 13958 13915 13663 13503 13824 14516 1 1 13810 13071 13541 12965 13727 13884 13619 13161 13914 14306 12873 12199 13442 13463 14129 13595 1 13739 12557 13234 13670 13864 13536 13553 13483 13915 13987 14905 13187 13131 13166 13337 13001 12718 12548 12243 13767 13453 14940 14340 17611 14108 13821 13425 14150 1 14008 14628 14408 14422 13503 13508 14693 14505 1 13607 14189 13847 13419 13498 13840 13827 231.9065 *232.0032* 232.0032@3.8243127 1 1 1 1 1 1 2570 2400 2427 2643 1 1 1 1 1 1 1 1 3349 3241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1464 1 1 1 1 1 1 3498 3249 1 1 1 1 1 1 3345 3206 1 1 1 1 3775 3112 1 1 1 1 3397 3630 1582 1407 1 1 232.0032 *232.0033* C9 H12 O S3 1 1 1 1 1 1 7060 6771 1 1 2658 3039 31691 30824 1 1 1 1 28590 29508 3226 3529 2599 1 1 1 4106 3783 3367 3306 4502 4358 1 1 1 1 1 1 3783 3876 42745 42752 1 1 1 1 13450 13895 14493 14211 1 1 3386 3204 1 1898 2363 2492 1 1 1 1 5508 6324 4555 4371 1 1 2155 2246 2731 2792 1 1 2353 1 1 1 1 1 50703 51001 1 1 20450 20951 1 1 1 1 232.0033 *232.0038* 232.0038@4.346661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3935 4111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3918 4022 1 1 2844 2715 1 1 1 1 232.0038 *232.005* 232.005@3.6421576 1 1 1 1 1 1 2937 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.005 *232.0198* 232.0198@3.190559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0198 *232.039* 5H-Oxireno[4,5]furo[3,2-g][1]benzopyran-5-one, 1a,8b-dihydro-3-methoxy- 6239 6616 1 7653 7152 10017 1 1 1 1 4145 5324 1 1 1 1 5042 4131 1 8990 10638 12188 1 6790 9018 7617 9674 10333 11825 7974 6979 1 8823 7338 1 4928 7117 7385 10641 10540 5331 1 6216 6595 6566 5220 5603 5128 6765 1 5491 3972 1 1 5371 5166 1 1 7074 6594 6323 5944 1 4969 3631 1 4763 1 4627 1 7255 5888 4497 1 6074 5429 7589 1 5026 1 7462 1 1 1 1 1 1 1 1 6622 232.039 *232.0396* 232.0396@1.0479721 1 1 7831 1 1 1 5444 4764 1 3238 1 1 3806 4860 5362 5091 1 1 7639 1 1 1 7060 1 1 1 1 1 1 2003 1 6341 1 2319 4956 1 1 1 1 1 2099 8578 1 1 1 1 1 1 1 7122 1 1 3381 3639 1 1 6032 6037 1 1 1 1 5908 1 4166 8202 1 4580 1 4128 1 1 1 4359 1 1 1 7413 1 5868 1 10791 3747 3849 4870 4674 5257 5748 6238 1 232.0396 *232.0402* 232.0402@6.2933807 1 1 1 1 1 1 3152 3185 1 1 1 1 1 1 5590 6254 10886 10550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0402 *232.0737* 232.0737@1.3828118 1 1 1 1 1 1 1 1 10070 6852 2113 1 1 1 1 1 1 1 1 1 1 1 1 7040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0737 *232.074* 232.074@1.2815675 1 1 1 1 7634 8666 12129 12070 21840 21303 3402 6537 5727 6137 1 1 4131 4078 4743 5772 1 1 11016 10461 1 1 1 1 3897 1 1 1 1 1 1 3752 6298 5740 1 1 10165 10490 1 1 1 1 5046 6203 2893 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 3412 4254 3774 3328 1 1 1 1 1 1 2693 3051 1 1 1 1 3098 3121 1 1 6354 6459 3859 3737 1 1 232.074 *232.0744* 232.0744@1.5878395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4193 1 1 1 1 1 1 1 1 1 1 1 232.0744 *232.084* 232.084@6.149755 12059 11913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.084 *232.1294* 232.1294@5.76347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1 1 232.1294 *232.9304* 232.9304@4.0620584 1 1 1 1 1 1 1 1 5947 6228 5783 5796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6037 5612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5036 5063 1 1 1 1 1 1 5721 5560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.9304 *232.9482* C6 H4 Cl N3 O S2 2847 1 3482 3721 5035 4968 4154 4315 3165 3302 3549 3347 3438 3552 3697 3330 4129 3853 3868 3392 2934 2779 1 1 5038 5388 5423 4486 5115 1 4805 4678 3734 4039 4455 4384 5180 5152 5543 5125 5755 5913 3564 4063 6188 6009 4505 4369 3817 4154 1 1 1 1 6823 7500 4871 4594 5428 4585 4914 4637 4218 4062 5363 5118 8593 9821 6671 6426 6383 5895 3801 3851 3489 3414 4691 4848 4802 5318 5590 4950 1 2924 6796 6781 5025 5262 4933 4743 232.9482 *233.035* 233.035@2.2471414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5827 6234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35080 35580 1 1 1 1 1 1 1 1 1 1 233.035 *233.0351* 233.0351@2.4952443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20862 22087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 1 1 1 1 1 103044 104662 1 1 1 1 7837 7445 4249 1 1 1 233.0351 *233.0364* 233.0364@1.8027582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0364 *233.0512* 233.0512@3.1691089 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0512 *233.0536* 233.0536@0.8934821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3268 1 1744 1 1 1 1 1 1 1 1 1 1 1971 1 1940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 1 1 1 3417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 4297 1 1 1 233.0536 *233.0542* 233.0542@1.373999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0542 *233.055* 233.055@1.3376994 1 1 1 7930 1 1 1 1 1 1 1 4941 1 1 1 4947 1 1 1 4006 6863 5072 1 1 5216 1 1 9918 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.055 *233.056* 233.056@0.9305689 1 1 1 1 1 4035 1 7570 3870 3337 4685 5294 2512 1 1 1 6271 1 1 6349 5727 4755 1 1 1 1 6454 1 4931 1 1 2782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 4771 1 1 1 1 1 1 1 1 1 5395 1 1 1 4657 7330 3205 1 1 2846 233.056 *233.0561* 233.0561@3.176708 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 2041 1791 1 1 1 1 1 1 1 1 1 1 1 1 1 3768 1 1 1 1 1 1 1 1 233.0561 *233.0563* 233.0563@1.3260425 1 1 8299 1 1 8232 1 6817 5287 1 1 3452 4154 1 1 1 3393 1 1 4506 1 1 8399 5739 1 7087 8212 1 1 2123 1 1 1 1 1 1 1 1 1 1 1 2810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0563 *233.0615* 233.0615@1.305558 1 1 1 1 1 1 1 2102 1 5413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0615 *233.0651* C8 H7 N7 O2 1 1 1 2211 2427 1 1 1 1 1 1 1 1 1 2841 2581 1 1 1 1 2357 1 1 1 2377 1 1 2931 2397 1 2495 1 2176 1 1 1 2582 2853 1 2333 1 1 2876 2664 2417 2432 1 1 2490 2862 2323 1 1 2947 1 2904 2634 2735 1 1 3045 3280 1 1 2437 1 1 1 2350 2946 2760 2435 1 2481 2446 1 2789 2783 1 2803 1 1 3455 3725 2821 2681 2930 4074 1 1 233.0651 *233.0731* 233.0731@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0731 *233.9065* 233.9065@0.852012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9065 *233.9154* 233.9154@0.8430227 1 1 1 1 1 1 1 1 1 1 3181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9154 *233.9224* C5 H2 N2 O3 S3 5062 5179 6472 6265 6065 5962 8310 1 6217 6478 2531 5730 6371 6424 6986 6678 6164 6304 6670 6233 6228 6016 6475 6918 5933 6033 6209 6063 5745 2506 5784 5707 4256 6173 5722 5663 5861 5859 6135 6115 6239 5579 5967 5694 6334 6258 6343 6113 6387 6483 6010 6699 5842 6347 6080 5985 6856 6548 5716 5891 5380 5188 4811 5243 6043 6271 6650 6557 4081 6328 5876 5693 5610 5787 6007 6588 6799 6454 6489 7102 6876 6535 6084 5907 5981 6539 6476 6344 5717 5963 233.9224 *233.9264* 233.9264@0.80802715 1 1 1 1 1 1 1 8461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.9264 *234.0014* 234.0014@5.3693786 1 1 1 1 1 1 1 1 1 1 2919 1 4320 4766 1 1 1 1 1 1 1 1 1 1 12234 11831 1 1 1 2407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4290 4575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8998 8851 1 1 1 1 2815 3458 8842 8886 1 1 1 1 23664 25087 6454 6093 25902 25309 1 1 234.0014 *234.0199* 234.0199@3.4922354 1 1 1 1 1 1 1 1 1 1 1962 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8108 7345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0199 *234.0202* 234.0202@3.1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7077 6256 1 1 6277 6594 11191 12585 1 1 1 1 1 1 2049 1 1 1 3368 2842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0202 *234.0237* 234.0237@4.3128996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0237 *234.026* 234.026@3.1587648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3946 1 2373 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.026 *234.0472* 234.0472@1.063942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5749 234.0472 *234.0499* 234.0499@1.3919685 1 2952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0499 *234.0509* 234.0509@1.3951573 1 4051 1 1 3366 5096 1 1 1 1 2461 1 3758 1 1 5228 6367 3566 2580 8627 10157 3307 9486 7502 5135 1 4421 1 1 2475 1 6245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 1 1 1 1 4135 1 6080 4872 1 1 1 1 1 1 1 1 1 6092 1 1 1 1 4177 1 1 1 4896 1 4741 1 1 1 1 234.0509 *234.0511* 234.0511@1.0505731 1 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8739 7521 1 1 4774 4436 3404 3658 6041 4457 7254 6438 3046 4581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9222 2636 234.0511 *234.0514* ANHYDROBRAZILIC ACID 12051 4985 12772 12954 5456 8691 13810 12712 11683 5009 3898 13531 8661 8751 9990 9898 6424 6208 1 5368 5207 7047 4819 6875 10543 15107 15939 16843 17881 2400 10964 2903 12019 9616 8619 1 11962 9802 2816 9044 10227 10328 1988 8040 9336 8948 7926 5787 6702 3271 5972 4028 4471 1 6779 1 4247 7955 8223 9530 10584 4101 7313 2424 3309 2535 2503 9258 7514 3438 1 1 1 9259 3043 10285 1 7625 9082 4196 5126 10809 7779 3652 10224 3726 1 4938 7490 3112 234.0514 *234.0575* 234.0575@1.0540407 1 1 1 1 1 1 1 1 1 1 5718 10551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0575 *234.0583* 234.0583@1.0280834 3572 1 4369 5256 5126 1 15334 18123 1 1 1531 17007 5195 1 1 1 1 1 4357 4536 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 3784 3594 5506 6542 1 1 1 1 1 2105 1 1 1 1 3692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0583 *234.0641* 234.0641@0.9675855 1 1 5430 5875 6703 5160 4774 1 8388 5631 16070 1 1 5946 5161 7856 5461 11866 15624 16308 176299 1 10644 15205 2819 1 1 5808 16678 7225 1 1 1 5966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151854 17273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5112 3996 1 1 1 1 1 1 8863 1 1 1 234.0641 *234.0699* 234.0699@0.94111377 4010 1 1 1 1 1 9242 1 1 1 1 1 1 1 1 1 1 1 6444 7874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11993 1 1 1 3662 6236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24709 1 1 23056 1 1 1 1 1 234.0699 *234.076* C5 H11 Cl N8 O 1 14473 8071 8508 8057 1 1 8220 14848 14199 8222 9820 15431 11575 1 1 7692 7470 1 1 8110 26529 1 7849 9677 13009 12851 9886 6391 7485 9960 25478 17976 17770 16336 12855 1 1 1 14719 7054 20058 1 1 11706 12349 5512 1 12482 4499 11119 23677 23744 21919 18515 17537 7219 8119 12386 17048 1 1 1 1 4868 1 14347 17080 12271 3269 17536 15923 15328 15506 13071 18314 1 1 10020 11190 13188 1 1 1 1 19212 11408 15677 1 1 234.076 *234.08* 234.08@0.9307528 15679 1 1 1 1 1 1 1 1 1 1 1 1 1 9491 10736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11915 19017 13503 1 1 1 14244 1 1 1 11198 16734 1 17529 1 1 1 1 1 1 1 1 1 1 15382 15123 17635 16959 9297 13455 1 1 1 10799 1 1 1 1 1 1 13992 14228 1 1 1 1 15122 14817 1 1 1 1 16386 26073 234.08 *235.0743* 235.0743@0.9418289 1 1 1 1 1 1 1 3487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3589 1 1 1 1 1 1 1 3642 3584 1 1 1 1 1 1 1 1 1 1 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 1 235.0743 *235.8675* C6 H Cl S4 1 4683 4910 1 1 1 1 1 5522 1 3866 3418 1 1 1 1 1 1 1 1 1 1 1 1 5119 1 4018 1 3840 2190 1 5413 5650 1 4783 5313 4777 5007 6060 1 5481 1 3910 1 4288 1 5546 1 1 3401 3388 1 1 5686 3859 4983 5833 1 1 3113 3385 3751 5779 1 4905 5804 1 4014 1 1 1 1 1 3474 5269 1 1 4460 1 1 1 1 1 1 1 1 1 1 1 1 235.8675 *235.8688* 235.8688@0.84101576 1 1 1 3700 4202 3610 5814 5751 1 5145 1 1 3880 5579 1 3967 5121 4109 3519 5802 3619 3663 1 3553 1 5045 1 5117 1 1 4289 1 1 4068 1 1 1 1 1 3729 1 1 1 4203 1 3509 1 4008 1 1 1 3598 4133 1 1 1 1 4537 1 1 1 1 1 1 1 1 5450 1 3845 3826 4459 3748 3826 1 1 6340 3663 1 5340 5274 1 1 1 6433 4709 1 6295 4404 3610 3568 235.8688 *235.9093* 235.9093@0.8159562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9093 *235.9163* 235.9163@0.816161 1 1 1 1 1 1 1 1 1 1 3448 3676 1 1 4474 1 4245 1 1 1 1 1 1 1 1 1 1 1 3626 1 1 1 1 1 3633 1 1 1 1 1 1 1 1 1 1 1 4148 1 1 1 4409 1 1 8531 1 1 1 1 4279 1 1 3382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 1 1 1 235.9163 *235.9895* 235.9895@6.5672107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3031 1 1 235.9895 *236.0698* 236.0698@0.9433266 1 4575 10675 10216 6171 6160 9353 8968 1 1 6404 5366 6513 6178 1 1 1 1 9642 10263 1 1 3828 1 1 3234 2644 2579 1 4160 8840 1 1 1 3206 3211 4800 1 9096 8138 1 1 1 1 3460 1 1 1 2561 1 8272 1 1 1 1 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 1 4053 3453 1 1 3103 1 1 1 3677 2887 7510 1 1 1 1 5300 2758 1 9128 1 236.0698 *236.1043* 236.1043@6.631182 1 1 1 1 1 1 1 1 1 1 1 1 75453 74467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1043 *237.0724* 237.0724@0.83118564 1 1 6615 6489 1 1 5373 1 1 1 1 1 1 1 1 2096 1 1 2491 1 7145 7384 1 1 1 1 2565 1 1 2818 1 1 1 1 3123 1 1 1 2436 1 1 1 2657 2604 1 1 1 1 1 1 1 1 1 1 1 1 13492 1 1 3203 1 1 1 1 1 4676 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 6644 6509 1 1 3906 3772 1 1 237.0724 *237.0763* 237.0763@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0763 *237.1019* 237.1019@6.2158117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 4388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1019 *237.1106* 237.1106@9.015604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1106 *237.1116* C11 H15 N3 O3 8759 8702 10422 10360 10302 10132 11687 11649 9663 9443 11668 11730 10782 10978 12180 12320 11488 10732 11406 11321 13000 13715 13055 12588 12968 12450 11361 10386 13149 13518 14425 14620 15164 15193 12870 13660 15278 16071 15226 16533 15230 16096 14562 15735 14125 13913 16954 17972 16378 16121 16343 17913 13959 14357 14696 14230 15205 15198 18657 18325 15741 15660 10731 8891 16732 16526 16862 15635 17032 16519 16718 15322 14968 16274 15954 16450 16481 16050 15201 15305 13183 13303 14388 14594 18351 18971 17439 16608 19276 17834 237.1116 *237.8594* 237.8594@0.8447863 3444 3282 1 1 1 1 1 1 1 1 3182 3260 1 1 1 1 1 1 1 1 1 1 1 1 3408 1 3460 1 3113 1 1 1 1 3368 3313 3349 1 3106 1 1 3245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2822 1 3347 1 3171 3171 1 3207 1 1 1 1 1 1 1 1 1 1 3757 1 1 1 3118 1 3516 1 1 1 1 1 1 1 237.8594 *237.8606* 237.8606@0.8418127 1 1 1 1 3542 1 4316 4304 3346 1 1 1 1 1 1 3533 1 3545 3385 1 1 1 1 1 1 1 1 3274 1 1 3637 1 1 1 1 1 1 1 3523 3419 1 1 1 3479 1 1 3528 1 1 1 1 1 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 3275 1 1 3230 3461 3576 1 2899 3460 1 1 3353 3957 4620 1 1 1 3503 4112 4152 3842 3640 3427 3307 237.8606 *238.056* C14 H10 N2 S - 0.908612 10353 9920 1 1 1 1 1 1 4158 3680 3879 3612 1 5018 1 1 1 1 1 1 3823 3801 3559 3488 4602 4184 1 1 1 7963 1 1 8788 8793 7541 1 1 1 1 1 3413 1 1 1 1 1 3641 3595 4075 1 1 1 1 5716 1 5840 1 3663 5769 1 1 5247 1 3884 8795 1 1 1 4813 5124 1 3162 1 1 1 1 10213 9587 1 1 3559 1 1 6345 5924 5921 1 1 1 1 238.056 *238.0563* C14 H10 N2 S 1 1 1 1 5340 5435 5184 5924 1 1 1 1 4846 1 8485 8569 1 1 1 1 1 1 1 1 1 1 1 3299 11501 3796 1 1 1 1 1 8147 1 1 7328 7552 1 1 6089 5519 1 1 1 1 1 4132 7510 7794 5817 1 4659 1 3728 1 1 5426 5329 1 4051 1 1 8555 1 1 1 1 1 1 10514 9824 1 1 1 1 1 1 1 3764 5935 1 1 1 8119 8947 5333 5596 238.0563 *238.0635* 238.0635@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0635 *239.0026* 239.0026@3.6635456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0026 *239.0306* 239.0306@1.7391998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5215 8232 1 1 1 1 1 1 1 1 1 1 1 3381 1 1 1 1 1 1 1 5055 7884 7381 1 1 4431 4134 1 1 1 1 1 1 2701 3509 5618 1 1 1 1 1 239.0306 *239.0313* 239.0313@1.7571983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4406 4725 1 1 1 1 1 1 239.0313 *239.0754* 239.0754@5.243242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3486 1 1 1 1 1 239.0754 *239.088* 239.088@3.1743405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 1 1 1 1 3827 1 1 1 1 4101 3791 1 1 4574 1 1 1 1 1 1 1 1 4226 2923 1 3921 1 1 1 4439 1 4147 1 2143 4052 3918 1 1 239.088 *239.8576* 239.8576@0.84783757 1 1 1 1 1 1 1 6644 1 1 1 1 1 1 1 6537 1 1 5830 1 1 1 1 1 1 6703 1 1 1 1 1 1 1 1 1 1 5849 1 1 1 1 6430 1 6403 1 6565 1 1 1 1 1 1 7006 1 1 7069 1 1 6819 1 6845 6161 1 6466 6596 1 7017 1 1 1 6091 1 1 1 1 1 7249 1 1 7240 1 1 1 1 1 1 1 7254 6309 1 239.8576 *239.9376* C4 H5 Cl N4 S3 37405 24416 1 1 14831 1 1 16042 1 14106 16489 15438 16235 20988 1 1 21845 1 1 29013 1 1 22186 1 1 1 1 38593 17027 24472 14754 21657 1 22171 14823 1 1 27395 1 1 1 15550 26012 36683 1 21280 1 1 1 20864 1 20120 1 21045 1 26412 1 14985 16159 1 15814 27063 1 19304 14893 24416 22652 1 1 1 1 16208 1 1 1 22898 27261 40446 1 1 1 1 21964 24055 14580 24983 21237 1 14623 20747 239.9376 *239.9381* C8 H Cl N2 O3 S 1 9676 37295 36020 11900 25927 37062 16746 30200 10806 9590 9982 16487 11732 26484 33201 11605 33984 38819 1 28442 39666 16480 37228 39735 39078 38862 1 12647 15099 12837 16331 36922 11888 15029 30142 29319 11538 31112 31982 13073 13360 11341 1 38113 12233 31470 35630 27351 16908 27418 16621 36953 16693 38696 12199 35909 11680 21484 27840 11151 1 31222 11409 22707 11929 13079 31875 28491 33653 30040 23767 29780 33873 37606 11747 9910 1 10085 37143 29824 38171 11119 11373 12659 12604 9991 18814 13277 12808 239.9381 *240.041* 240.041@8.015754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 240.041 *240.0747* 240.0747@10.555171 1 1 1 1863 1 1 1 1 1 1 2348 2421 2721 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0747 *240.0851* 240.0851@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0851 *240.0985* 240.0985@6.44246 1 1 1 1 1 1 2388 2747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0985 *240.0988* 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid 301629 308850 18550 18875 10707 10921 50150 53188 8505 8418 253885 242236 36805 36015 3844 3781 48643 46754 20120 792875 234823 244995 688096 646770 36985 37364 3157 2596 268839 281199 45277 43451 359812 348733 7181 6960 19645 21081 26837 23780 14399 14421 19025 18525 581701 567705 267747 265825 112139 110904 16276 16242 15174 15248 25762 26715 157484 166196 133464 136714 14089 12805 26423 27181 66571 66847 73658 69137 7954 7281 360044 367201 60637 61828 38330 36589 38053 36962 378912 375487 103173 101498 172163 168296 67665 70230 92307 91535 5880 6670 240.0988 *240.0999* 240.0999@7.7567883 1 1 1 1 1 1 1 1 1 1 1 6010 1 1 1 1 1 1 738895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3496 1 1 1 1 1 1 1 1 1 1 3928 1 1 1 1 1 1 1 1 1 1 1 240.0999 *240.1083* 240.1083@0.8352579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5690 3492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1952 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1083 *240.136* 240.136@9.37622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 2702 2089 1 1 2397 1 1 1 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.136 *240.1714* 240.1714@9.911574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 2264 1 1 1 1 1 1 1 1 2168 2181 1 1 3938 3783 240.1714 *240.2279* 240.2279@7.7023783 4935 4769 1 1 1 1 1 1 1 1 3602 3388 1 1 1 1 1 1 1 1 3385 3543 1 1 1 1 1 1 1 3475 1 1 6168 6302 1 1 1 1 1 1 1 1 1 1 1 1 3699 3757 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 1 1 6269 5522 1 1 1 1 1 1 6576 5913 1 1 1 1 1 1 1 1 1 1 240.2279 *240.2797* 240.2797@7.7046638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1803 1 1 1 1 1 1 1 1 1 1 240.2797 *241.0392* 241.0392@0.89435595 1 1 1 2080 1 1 1 2725 1 1 1 1 1 2702 1 2926 1 1 1 1 1 2584 2724 2837 2536 3216 1 2694 3212 3211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0392 *241.072* 241.072@5.243242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 241.072 *241.9357* C10 H4 Cl2 O S 1 3161 1 3792 4177 3922 1 1 1 8147 3995 3510 1 4064 1 4365 4291 4496 1 4804 1 1 1 1 1 1 1 1 1 1 1 1 1 3599 1 3751 3908 1 4035 3505 1 1 1 1 1 3906 1 1 4333 1 3440 1 1 1 1 1 1 8601 1 8859 3749 3158 4054 3758 1 1 4673 4015 4898 1 4005 1 4141 4597 1 4096 3478 1 8433 1 1 1 1 1 1 1 1 1 1 4354 241.9357 *241.9357* 241.9357@0.84981805 1 1 1 1 4809 7748 1 5276 4177 1 4772 5040 8301 1 8888 1 1 1 1 4422 9746 1 1 1 1 1 1 1 9844 1 9035 1 1 1 1 1 1 1 1 1 8922 13888 1 1 1 1 7493 1 1 1 1 1 1 1 1 1 1 1 1 1 5114 5287 1 1 1 1 1 6104 4654 7169 5379 1 5398 1 1 1 1 1 1 1 1 1 1 1 8934 1 1 1 8800 1 241.9357 *241.9873* 241.9873@4.1584954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2541 2430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3335 3056 1 1 1 1 1 1 2841 2884 1 1 1 1 1996 2144 1 1 1 1 1 1 5249 5827 1 1 1 1 1 1 1 1 8780 8590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.9873 *242.0371* 242.0371@0.8955937 1 1 8307 8218 7509 7993 11121 10894 1 7730 1 1 9669 10992 11259 11378 6323 6306 9266 9218 11220 10799 12518 12620 12191 12145 11441 11189 11846 9699 1 1 1 1 1 1 1 1 1 1 6723 6749 1 1 5649 1 1 1 1 1 1 5276 1 1 1 1 1 1 6590 7522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5681 1 1 1 1 1 1 1 1 1 1 1 6615 242.0371 *242.0382* C5 H10 N2 O9 4886 5373 1 1 1 1 1 1 7559 1 6103 6366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3232 1 3080 3888 3928 4025 4156 4088 4249 3360 3399 1 1 3512 3370 1 5558 4893 5260 5144 5063 5533 1 5216 5475 3185 3631 4474 4539 1 1 4057 4218 3124 1 4001 4562 3501 3474 7348 7586 4596 4747 4788 4634 6073 6202 5731 1 5179 5436 4829 5194 4173 1 6135 5846 6577 6481 6438 1 242.0382 *242.0417* 242.0417@0.9006347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 1 1 1 1 1 1 242.0417 *242.074* 242.074@2.6746702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 242.074 *242.0745* 242.0745@2.6956384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4512 4315 1 1 3893 1 1 1 1 4364 1 1 1 3869 3887 4266 5203 5892 4169 1 1 4087 1 1 4481 1 1 1 1 1 4905 4525 3722 4639 7978 3574 5167 3629 6377 6662 7699 7006 2530 4383 1 1 5727 6263 242.0745 *242.0752* 242.0752@3.8908615 1 1 1 1 1 1 1 1 1 1 2333 2937 1 7107 9114 8320 1 8995 1773 1 8342 8953 8743 8314 9790 10270 8264 1 1 1406 8613 7341 1 7742 8659 8527 1 5898 4975 1 10154 1 1 11201 10835 1 1 1 1 13409 1 9109 1 9292 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 4214 1 4200 4091 1 1 4259 1 2832 3151 1 1 1 1 1 1 1 1 1 1 1720 1 242.0752 *242.0755* C7 H10 N6 O4 4472 4621 5105 1 5915 5610 4530 4658 1 4704 3871 5432 5306 5341 5698 1 5794 5744 5797 6026 7293 5236 6424 6018 5846 6885 7205 7416 6728 6502 6907 7340 8601 9061 5943 5967 9108 8987 9910 9319 8781 10622 8543 10310 9825 10006 9607 9316 9373 9683 10981 10096 9864 9854 10741 9867 10174 10588 11345 11337 12317 11434 11739 12494 13552 12354 13615 13479 12393 13208 12972 13004 13403 12868 13417 13014 10769 11289 9179 10706 12068 11912 11966 11247 12611 12835 10791 9517 13237 12901 242.0755 *242.0758* C7 H10 N6 O4 - 3.9127383 8258 8484 7080 7466 7065 7503 4700 4061 7730 8088 6500 5841 8972 1 1 1 8921 1 6984 9137 1 1 1 1 1 1 1 9776 8733 5228 1 1 7989 1 1 1 7262 1 8888 14218 1 10122 10595 1 1 12183 10491 8913 13374 1 8219 1 9970 1 10414 10422 15125 14625 12140 9974 10716 9052 13762 12624 13888 13550 10909 11172 11676 15325 11518 11430 15603 14446 8487 12396 11733 11409 11741 11296 11005 11645 15970 14486 13134 13384 11312 9529 9877 12185 242.0758 *242.0845* 242.0845@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0845 *242.0935* 242.0935@8.502168 13092 13628 1 1 1 1 127761 127503 1 1 3046 2947 1 1 1 1 118027 116800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18009 18604 1 1 1 1 1 1 1 1 1 1 2798 1 1 1 1 1 15788 16284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10684 9801 1 1 161531 6230 242.0935 *242.0935* 242.0935@8.503901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155449 242.0935 *242.0994* Mannitol 1 1 1 1 1 1785 2326 1586 2035 2672 2183 2560 1699 1 1 1770 2015 1620 1 1 1 1 2550 2140 1 2604 1 1 1 1 2008 2122 1323 2163 2460 2172 1 1558 1 1 1 1 1 1 1 1 1 2177 1 1 2601 2488 2443 2641 1 1 1 1 1 1 2215 2111 1 1 1 1 1 1796 1 1 3281 2922 1 2312 1 1 1517 1 1542 1467 2954 2186 3331 3560 1 1 2043 2142 1 1 HMDB00765 C00392 242.0994 *242.1238* 242.1238@4.4462986 1 1 1 1 1 1 3229 3278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 3195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3472 2761 1 1 1 1 1 1 4191 4615 242.1238 *242.1503* 242.1503@8.033709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7400 7975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1503 *242.1509* C13 H22 O4 1 1 2717 2975 2576 2283 12704 13950 2688 2554 3968 4363 1 1 1 1 1 1 1 1 4101 4289 1 1 1 1 1 1 3402 3429 3929 3898 11200 11000 1 1 1 1 3426 2871 1 1869 2224 1 10167 9773 4546 4791 2768 2711 3090 3073 1 1 2168 2146 8785 9219 6848 6954 2387 2161 4283 4264 7646 7177 1 1 3068 3005 1 1 3570 3101 7947 6712 2269 2279 7321 7322 4214 3931 2581 2236 3013 3493 5334 5041 3958 4207 242.1509 *242.187* 242.187@10.657881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3093 3478 3099 3456 2918 2918 1 1 2853 2943 4404 3900 1 1 1 1 1 1 2631 1 1 1 2928 3073 1 1 1 1 2012 2052 2644 2829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2576 3026 2513 2673 2295 2579 1 1 1991 1 1 1 6481 6711 242.187 *242.2231* Isopentadecylic acid 2613 1 2895 3057 4244 3815 3904 4365 1 1 3188 3033 1 1 1 1 1 1 1 1 4510 4844 1 1 1 1 1 1 4827 1 3637 4273 5913 5427 1 1 3970 4138 6336 6328 1 1 4212 4412 4738 4743 5064 4816 1 1 8592 7995 1 1 1 2779 4359 4075 3431 3127 1 1 1 1 3439 3510 2428 1 1 1 1 1 3063 3080 1 2744 1 3154 6156 5814 1 1 1 1 4093 3875 1 1 9813 10628 242.2231 *242.2247* 242.2247@13.481332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4622 2326 1 3925 1 1 1 1 1 3805 1 1 1 1 1 1 1 3962 1 1 1 1 1 1 1 1 1 1 1 3219 1 1 1 1 1 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.2247 *243.0191* C10 H13 N S3 1 1 1 1 4882 4062 4720 4876 3025 3075 1 1 1 1 4472 4319 1 1 1 1 1 1 1 1 21182 22865 1 1 1 1 3012 3026 3253 3041 2851 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2587 3136 1 1 2971 3330 1 1 1 1 1 1 1 1 1 1 4495 3749 4564 4894 6014 5332 3685 3493 1 1 15500 15384 1 1 1 1 1 1 2720 2819 6267 5891 1 1 243.0191 *243.0552* 243.0552@0.89601266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0552 *243.0655* 243.0655@0.89320976 1 1 1 1 1 1 1 1 1 1 1 1 1 2610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1 3156 1 1 1 3015 1 1 1 1 1 1 1 243.0655 *243.0687* 243.0687@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0687 *243.0697* 243.0697@0.8936169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3524 3644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 243.0697 *243.0766* 243.0766@0.8954607 2420 1 1 1 1 1 4435 4857 1 3129 1 1 1 1 1 1 3638 4084 1 1 1 1 1 1 1 1 1 1 1 1 2817 3438 3740 3398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 2832 1 1 1 1 1 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3705 3945 3353 3367 1 1 243.0766 *243.1014* 243.1014@2.0890367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 1 1 1 1 5620 1 1 1 2161 6180 2483 1 1 1 1 8144 3273 1 1 1 1 6806 3722 1 1 1 1 1 1 7688 1 1 1 1 1 1 1 9814 9050 6593 8311 11155 11396 6678 5996 5221 7240 4284 6307 243.1014 *243.1028* 243.1028@2.1006796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1028 *243.1037* 243.1037@2.0699801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 1 1 1 1 1 5964 3367 1 1 1 1 8251 1 1 1 1 6574 8025 4794 1 3784 7156 2237 8230 8681 1 5228 6892 7566 4221 4763 1 2984 1 4877 10822 3421 8821 8799 1 8203 10625 9377 5617 8689 1 12152 1 1 4353 3627 1 1 1 1 2714 1 1 1 243.1037 *243.1074* 243.1074@2.2735398 1 1 4194 1 1 1 1 1 1 1 2519 1 5119 1 1 1 1 1 1 1 1 1 1 1 1 9794 1 4625 9119 3109 1 1 1 1 1 1 8549 14474 1 1 1 1 8530 20937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8388 29128 1 1 20477 5196 7773 1 1 1 1 1 1 1 17901 18017 27725 12549 16694 16881 1 1 1 1 1 1 1 1 8465 7540 243.1074 *243.1076* C7 H13 N7 O3 6818 7027 2001 6484 1 1 1 1 7030 7633 1626 6201 1936 7101 8330 7499 6613 6772 7860 7800 7379 7363 6686 7630 9844 5048 9866 4961 5517 4557 6082 6917 8755 8339 8966 9198 4709 3595 5241 8050 10910 10984 11724 8902 10045 10666 11487 13249 17207 17079 10187 11564 15352 14457 18155 18559 17348 17244 18193 17431 28888 10318 14674 13656 11121 21867 9333 16917 21242 21594 17327 18217 21815 21983 3843 1 11378 14712 1 1 21902 21950 25107 26141 15867 13278 17986 18379 1 1 243.1076 *243.1144* 243.1144@3.736646 5758 5170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1901 1805 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 1974 1 1 1 1 1 1 1 1 1 1 243.1144 *243.1823* C13 H25 N O3 15096 15394 9937 9385 3457 4168 5912 6285 6866 6973 7025 6656 4627 4035 4911 5674 4982 4075 6467 7431 5216 5211 6731 6933 4048 3817 5047 5056 5266 4933 2507 2585 7080 7270 2268 2462 4142 5210 2733 3292 4352 4957 3371 2909 2839 2810 2567 2561 3047 3337 4404 4538 2768 3805 14698 14502 6436 5099 4882 4950 4135 3652 3571 3424 3551 3229 5077 5232 3288 3063 4673 4967 5926 6483 3458 3845 2610 2830 3505 3573 2063 2236 4508 3815 6400 6052 26933 26134 8888 9078 243.1823 *243.9485* 243.9485@0.8339426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.9485 *243.9503* C8 H4 O5 S2 14078 13952 17731 19100 18384 18703 18585 17644 19141 17019 19423 19610 17033 20073 19779 17741 19766 19713 19199 20754 19392 18705 18587 19799 18357 19476 21514 18942 19310 17033 19239 21451 20549 20747 19016 17001 16901 19688 17190 21094 19414 18970 20239 20532 19564 21883 20446 21280 19868 20532 20405 22624 20376 21402 22228 20233 20794 20871 20683 22207 17441 17274 19817 19560 20234 20681 20377 23265 23528 22920 20610 20761 22929 19174 23021 21357 21466 21030 20190 21552 22020 19435 20353 19624 21581 20473 20558 23268 20639 18538 243.9503 *244.003* 244.003@5.4776936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3356 3550 1 1 1 1 4574 4646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4645 4092 1 1 1 1 244.003 *244.0345* 244.0345@0.89631456 1 1 2956 3058 2613 3075 3973 4788 1 1 1 1 3754 3312 3815 4376 1 1 3179 3137 3743 4238 4188 4552 4135 3853 3863 3979 4351 4167 1 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 244.0345 *244.0391* 244.0391@5.8928127 1 1 1 1 4562 5231 1 1 1 1 1 1 1 1 3693 3054 1 1 4608 4536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 1 1 1 3010 2809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3655 3757 1 1 1 1 244.0391 *244.0682* 244.0682@1.9447875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8093 1 9279 1 1 1 1 1 7681 1 1 1 1 2495 1 1 1 8704 1 1 1 1 1 1 1 1 1 1 1 9976 1 9610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10603 1 1 1 1 1 1 1 1 1 1 1 13111 1 1 1 1 1 1 1 1 244.0682 *244.0685* Pseudouridine 8756 8187 8462 8170 11376 11221 25681 26332 8428 8744 8108 7814 6252 6309 6488 6612 7048 7064 8957 8869 6530 6204 6116 6671 5109 5136 6733 6731 5227 4921 9440 12153 11465 10663 8210 7387 6867 6292 7028 7467 9232 8258 5927 5904 8642 8613 5997 5414 6303 6446 10073 10391 6341 6446 6267 7263 10130 11154 5439 5321 7704 6515 7503 6978 7133 7008 8538 8703 5864 6155 6479 6597 5728 5464 5466 6132 5920 6466 19067 18368 10502 10539 8366 8891 11527 12738 10483 10960 7508 8104 HMDB00767 C02067 244.0685 *244.0686* Uridine - 1.910261 1 1 14792 14572 16166 1 1 8527 13162 1 3901 16795 1 1 7583 6457 1 1 1 1 1 7707 15360 15554 1 1 17887 17874 14672 2332 16922 10501 1 1 1 1 1 25238 25498 24749 1 1 20165 31717 12259 1 9290 1 1 20721 1 1 13919 1 30581 30926 25774 24541 29618 1 11180 1 18979 1 16532 22965 1 1 25839 13279 19758 26990 25759 15315 26529 25162 34605 1 21350 6988 32474 1 35798 18963 26520 29218 21827 22452 8594 21899 HMDB00296 C00299 244.0686 *244.0687* Uridine 12710 10767 1 1 1 9118 10203 7150 1 13368 4747 1 9877 1 8473 1 5861 7520 12212 12239 13867 8533 1 1 10300 10041 1 1 1 6160 1 7814 12275 11356 9943 8765 12805 1 1 1 11361 9123 13955 1 13608 17383 9263 1 10728 1 1 8175 8999 14369 1 1 1 1 1 16298 1 1 1 7005 1 1 12832 14367 1 1 1 1 1 1 1 1 1 20608 1 1 1 17248 1 1 1 1 1 1 1 1 HMDB00296 C00299 244.0687 *244.0687* 244.0687@1.9563679 6762 8231 1 1 1 6864 5400 1 1 1 3898 1 8368 6808 1 2618 1 5458 1 10437 7742 6923 1 1 1 9515 1 1 1 2481 1 1 7732 1 6108 7720 12437 1 1 1 5471 8056 1 1 1 1 1 1 8143 1 8116 2090 1 9101 1 1 1 1 1 15701 1 5213 1 12123 7530 1 11578 11677 1 1 9197 1 1 10524 1 1 1 13056 1 14210 1 4003 1 16748 1 1 1 1 10547 1 244.0687 *244.0755* 244.0755@2.907954 1 1 1 1 1 1 1 1 1 1 1 1 2661 2748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5045 4650 244.0755 *244.0911* 244.0911@4.60328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2259 2249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2996 3358 1 1 1 1 1 1 1 1 1 1 244.0911 *244.1105* OSTHOL 25191 24420 7366 6648 3324 3147 3398 4214 1906 1607 2153 2402 2993 2598 2616 2372 6218 5996 7342 7394 3400 4035 2175 2081 9032 8778 3487 3222 5647 4889 2149 2074 2581 2299 1 1 7726 7212 7292 7178 2299 2579 3861 3345 3015 2843 4963 4882 2102 2397 3417 3062 7309 6657 4015 4375 4794 5141 4713 5273 2434 2123 3490 3150 1 1 2447 2152 1 1 1 1 2626 2544 1 1 6405 6734 10331 10056 4190 4291 6539 6674 1910 2030 3187 3219 3701 3645 C09280 244.1105 *244.1662* 244.1662@8.273901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5957 5901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1662 *244.1664* 244.1664@8.373368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1664 *244.2025* 244.2025@11.262603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 3246 244.2025 *244.998* 244.998@3.650587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5008 5351 244.998 *245.0665* 245.0665@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0665 *245.0697* 245.0697@1.0967261 1 1 4754 4928 1 1 7361 7012 3171 1 1 1 1 1 1 4297 1 1 1 1 1 1 1 1 1 1 1 1 2165 1 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 7276 7970 1 1 1 1 3200 3240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4600 5035 1 1 1 1 1 1 1 1 1 1 245.0697 *245.0717* 245.0717@3.2377434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2330 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0717 *245.8902* 245.8902@0.85063136 5792 6152 1 1 1 1 1 1 1 1 5537 5417 1 1 1 4004 1 1 1 1 1 1 1 3044 1 1 1 1 1 1 1 1 1 3250 1 1 1 1 1 3420 1 1 1 1 1 1 1 1 2516 1 1 1 1 1 1 1 1 1 1 1 4517 5033 5817 1 3663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4077 245.8902 *245.8955* 245.8955@0.83140194 1 1 5631 5289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5610 1 1 1 6334 6039 1 6018 5754 1 6180 6268 1 1 1 5593 5268 5308 6069 1 5044 4853 6066 1 5112 4677 1 1 1 1 1 1 1 1 5136 5174 1 1 5600 5432 1 1 1 5085 1 1 1 1 1 1 1 1 5281 5619 1 1 1 1 1 1 1 5529 5886 1 1 1 1 1 1 1 245.8955 *245.8979* C5 H4 Cl2 O3 S2 1 1 1 1 5505 5760 7480 7449 1 5975 1 1 5795 5771 5863 3310 5355 5671 5535 5556 1 5459 5325 2503 1 1 6050 1 1 2410 1 1 1 2776 1 1 1 1 1 3254 1 1 1 6072 1 1 5629 5602 2975 5094 5369 5588 5832 5983 1 1 5780 5726 1 1 2507 1 1 1 3058 6317 6195 5491 5497 1 1 6992 1 1 6326 5984 6201 6471 7716 7487 1 1 1 1 6651 1 6018 5894 1 2875 245.8979 *245.914* 245.914@7.1392765 5170 1 5377 1 1 1 1 3445 1 1 18469 1 1 1 1 4820 1 1 1 1 1 1 1 1 1 1 1 1 18993 4318 6222 1 38316 1 1 1 1 1 4088 1 6974 1 1 1 1 1 1 1 1 1 1 1 3833 4081 1 1 5216 5050 1 1 1 1 5160 1 1 1 1 8051 1 3070 45621 1 5567 1 1 1 1 1 1 1 1 1 7233 1 8477 1 3738 1 1 52885 245.914 *245.9143* 245.9143@7.136867 1 5446 1 5699 3003 1 1 1 4161 4860 1 8000 1 1 5422 1 1 1 1 1 10230 9582 16567 18629 1 1 1 3799 1 12476 1 6066 1 38569 6462 6075 69622 67468 1 4116 1 7392 16496 7605 1 1 1 1 7649 15669 42397 41610 1 1 3465 1 1 1 7178 6776 1 1 1 4583 29191 24559 19297 1 1 1 1 46503 1 5477 1 1 56714 56081 1 3580 1 1 1 6595 1 8750 1 1 54260 1 245.9143 *245.9571* 245.9571@0.7839951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.9571 *246.0185* 246.0185@5.5103793 1 1 1 1 1 1 3004 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5243 6143 1 1 1 1 1 1 4180 4366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0185 *246.0188* 246.0188@3.8811715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1 1 1 1 1 1 1 1 1 1 1 246.0188 *246.0189* 246.0189@3.9506054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43791 45146 1 1 1 1 1 1 1 1 1 1 246.0189 *246.0358* 246.0358@1.1150005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0358 *246.037* 246.037@1.1833885 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 5871 1 1 8112 6090 1 1 5118 4819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.037 *246.0499* 246.0499@1.2810292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0499 *246.054* 246.054@0.93405336 1 1 1 1 1 1 1 1 1 1 5809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.054 *246.0544* 246.0544@5.8046193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0544 *246.055* 246.055@4.646775 1 1 1 1 1 1 1 1 6672 6136 1 1 1 2355 1 1 1 1 1 1 1 1 9641 9123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3237 3540 1 1 3151 2532 1 1 1 1 1 1 4699 4862 1 1 1 1 1 1 1 1 1 1 1 1 5967 5546 1 1 1 1 1 1 2412 1 3714 3941 2931 2679 4055 5595 1 1 1 1 246.055 *246.0551* ISOPIMPINELLIN 37695 37910 3969 3639 26730 26194 121652 124353 8104 8391 2537 1 2573 3231 5637 5877 34520 33436 10544 10245 18118 17922 13503 14152 19018 18973 1 1 14022 14864 15611 14099 83980 87139 8743 8856 20052 19507 4648 5054 52816 55059 2320 1 34248 34282 1 1 13587 12894 3553 3528 36021 33141 1 1 29956 30681 33245 32300 60562 60637 1 1 4500 4553 3180 2886 43834 43309 3430 3289 9971 9557 5019 4635 1 1 12841 13126 12707 12336 8301 7558 65063 64274 10070 10229 4651 4709 246.0551 *246.0551* 246.0551@5.180361 1 1 1 1 1 1 1 1 5505 5902 1 1 1 1 1 1 1 1 1 1 1 1 3688 3932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4410 4491 1 1 1 1 1 1 1 1 1 1 12473 13485 1 1 1 1 1 1 3107 3295 1 1 1 1 8881 8689 1 1 1 1 1 1 1 1 8292 8989 5305 5847 11821 12382 1 1 1 1 246.0551 *246.0567* 246.0567@1.2807374 1 1 1 1 1 1 1 1 1 1 2640 1 1 1 1 1 2527 1 1 1 1 1 1 2867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0567 *246.0698* 246.0698@0.79681695 1409 1328 1 1 1 1 1474 1 1 1368 1 1 1 1 1 1627 1229 1 1450 1 1 1 1 1 1534 1354 1 1023 1 1 1 1 1 1554 1471 1 1534 1562 1970 1 1 1 1 1653 1396 1 1 1 1722 2359 1 1 1 1 1 1391 1321 1471 1 1881 2346 1 1 1 1 1119 1 1639 1459 1499 1634 1666 1949 1830 1486 1 1429 1543 1 1 2146 1945 1 1412 1745 1912 1726 1728 1 1 246.0698 *246.072* 246.072@1.2650956 1 1 1 3381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.072 *246.0786* 246.0786@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0786 *246.0841* 246.0841@1.2549018 1 1 1 1 1 1 5634 6350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1798 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1635 2952 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4194 4237 1 1 1 1 1887 2302 1 1581 1 1802 246.0841 *246.0873* 246.0873@6.8869376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10966 10947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6641 6558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 9106 9335 1 1 1 1 1 1 1 1 1 1 5852 5798 1 1 1 1 1 1 1 1 1 1 1 1 246.0873 *246.134* 246.134@4.0800586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6347 5894 1 1 6312 7271 1 1 1 1 1 1 1 1 1 1 1 1 2507 2617 1 1 3698 4103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.134 *247.0145* 247.0145@3.0073192 31118 32030 1 1 1 1 153056 155641 1 1 1 1 23131 22559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45476 44719 1 1 1 1 1 1 1 1 1 1 41597 44294 1 1 1 1 1 1 40929 39731 1 1 1 1 1 1 1 1 1 1 1 1 12845 12452 1 1 1 1 1 1 88779 89212 247.0145 *247.0146* 247.0146@3.6423318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 3389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0146 *247.0151* 247.0151@2.5436115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5038 5418 1 1 1 1 1 1 1 1 1 1 247.0151 *247.0502* 247.0502@2.928994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19719 20986 1 1 1 1 1 1 1 1 1 1 247.0502 *247.0712* 247.0712@0.9560109 1 1 1 1 1 4036 15988 14503 1 6136 1 1 1 1 3788 3514 1 1 1 1 1 1 6299 7573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3694 1 1 1 1 1 1 1 1 1 3997 1 1 1 1 1 1 1 3331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6172 1 247.0712 *247.0729* 247.0729@1.0798113 1 1 1 1 1 1 8373 10857 1 1 1 1 1 1 1 1 1 5048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4468 4007 1 1 1 1 1 1 1 1 1 1 247.0729 *247.0741* 247.0741@1.2350917 1 1 1 1 1 1 2582 2571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0741 *247.082* 247.082@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.082 *247.8833* 247.8833@0.84969777 1 3130 2700 1 1 1 1 1 1 1 1 3304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3673 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 247.8833 *247.8922* 247.8922@0.8300089 1 1 1 1 1 1 3178 3276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.8922 *247.9033* 247.9033@0.81648046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19374 1 1 1 1 247.9033 *247.9111* C6 H Cl N2 O3 S2 6406 4876 5272 5463 1 1 3500 1 3843 4427 1 10484 1 1 5131 5000 1 1 1 1 9794 10039 1 1 1 1 1 1 1 4164 6088 5442 1 1 6370 5910 1 1 1 3851 9391 7494 1 7556 1 1 1 3391 7758 1 1 1 4064 1 1 1 4725 5154 6171 7028 1 1 4863 4484 1 1 1 10588 1 1 1 1 4510 5143 1 1 1 1 1 1 1 1 6161 6334 7610 11066 4083 1 1 1 247.9111 *247.9154* 247.9154@0.8190152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.9154 *248.0342* 248.0342@4.005082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7096 6894 1 1 1 1 1 1 1 1 1 1 248.0342 *248.0344* 248.0344@3.6548228 1 1 1 1 1 1 1 1 1 1 1 1 2469 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4781 4273 7475 8267 1 1 1 1 1 1 1 1 1 1 1788 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0344 *248.0383* 248.0383@1.0330007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0383 *248.0395* 248.0395@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0395 *248.0709* 248.0709@1.1670895 1 1 1 1 1 1 7321 6737 1 1 1 1 1 1 1 1 1 1 2125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0709 *248.0756* 248.0756@1.0803674 1 1 5648 7978 11221 7086 30284 30663 9151 7945 6191 7505 1 1 1 2339 6688 1 3735 2452 1 1 1 2706 1 1 1 1 1 1 1 3673 1 1 1 1 1 1 1 1 1 1 1 1 1 3375 1 1 1 1 1 1 1 1 1 1 6137 5193 1 1 1 1 1 1 9025 10043 1 1 1 1 1 1 1 1 1 1 1 1 16435 17938 1 1 1 1 9181 10343 1 1 1 1 248.0756 *248.0779* 248.0779@1.0583413 6985 1 1 1 1 3479 17270 16804 1 1 1 1 1 1 1 1 1 6516 1 2671 1 1 1 1 5647 1 1 1 1 1 1 1 1 2887 1 1 1 1 1 1 3962 1 1 1 4482 1 1 1 1 1 4771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 1 248.0779 *248.0828* 248.0828@1.0665317 1 7363 1 1 1 1 1 1 1 1 1912 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0828 *248.088* 248.088@5.0314026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6706 6688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3505 3487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.088 *248.0883* 248.0883@1.0608015 1 1 3080 1 1 1 1 1 1 1 1 1 1 1 7023 2419 1 1 1 1 1 1 2632 1 1 1 4199 1 2297 2499 2411 1 1 1 4740 1 1 1 1 1 1 1 1 1 1 3034 1 1 4897 3810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6177 1 1 1 1 1 1 1 1 1 1 1 1 5265 6932 1 1 1 1 9328 2734 1 1 248.0883 *248.0911* 248.0911@1.0102742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13988 1 1 1 1 1 8198 20251 24293 1 1 1 1 15335 10864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 3283 2689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3535 1 1 1 1 1 1 1 4196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.0911 *248.0994* 248.0994@1.1865011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3152 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 1 1 1 1 3080 2634 1 1 1 1 1 1 248.0994 *248.0996* 248.0996@0.9393198 1 59177 1 44340 54496 1 1 28658 21165 20656 1 1 35540 47604 1 1 1 1 1 40869 46786 42197 1 1 49699 55428 1 1 31172 36947 1 1 1 17483 1 1 53341 1 1 1 21043 57041 1 1 52264 1 1 1 1 1 54439 1 1 1 1 1 1 1 1 1 65217 1 1 1 1 1 1 1 1 1 1 1 1 59079 1 1 55738 1 1 1 1 1 2448 1 1 1 1 1 1 1 248.0996 *248.1001* 248.1001@0.8246687 2408 2505 1703 1 1 1 1 1 1 1 1883 1 15791 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1812 1 1 1 1 1 1 1566 1 1 1 1 1 1 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 248.1001 *249.0301* 249.0301@1.541909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5229 1 249.0301 *249.0306* 249.0306@1.6019026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2614 1 249.0306 *249.0553* 249.0553@0.9400539 1 1 1 1 1 1 1 1 1 1 4250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0553 *249.0604* 249.0604@0.92452335 1 1 1 1 1 1 1 2360 1 1 1 2889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0604 *249.0626* 249.0626@3.7273893 1 1 1 1 1 1 1 1 1 1 12520 13520 1 1 1 1 1 1 7687 7555 3188 3991 1 1 1 1 6156 6186 3620 2878 1 1 1 1 5456 5168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20607 20757 1 1 20079 19648 17178 18292 1 1 249.0626 *249.0688* 249.0688@0.9030773 1 1 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0688 *249.0787* 249.0787@0.9302798 1 1 1 1 1 1 6368 6713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7275 3101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0787 *249.0798* 249.0798@0.9040008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0798 *249.0855* 249.0855@0.9234297 1 1 1 6449 1 1 1 1 1 1 1 1 1 3229 1 1 1 1 5144 3623 8461 5017 6579 3272 5568 1 1 6726 1 3171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 1 1 1 1 1 1 1 1 249.0855 *249.0906* 249.0906@0.93783176 1 1 1 2520 1 1 1 1 1 1 1 3622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6304 1 1 1 1 1 1 1 3421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5459 1 1 1 1 249.0906 *249.097* 249.097@0.95598835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.097 *249.9662* 249.9662@3.6419516 3547 3201 2661 2726 1 1 1 1 1 2183 1645 1 3429 3440 1 2214 2103 2582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9662 *249.9664* 249.9664@5.332534 1 4884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9664 *249.9665* C13 H2 N2 S2 11723 11682 1 10549 8658 1 1 1 7026 1 10511 10613 8911 9304 8388 9809 9123 1 1 9899 10044 10549 9682 9742 10679 1 1 1 10290 11605 8784 9059 1 10558 10494 9271 11882 11134 11032 9979 9999 1 11301 1 9807 9953 9791 1 9553 9970 10036 9692 1 1 11606 1 1 1 10504 1 9011 9818 9976 1 8779 9138 11270 12343 10368 10339 11039 11236 10627 1 10954 10771 12592 1 10233 1 1 11480 11203 10967 1 9615 8867 10097 10482 10510 249.9665 *249.9668* 249.9668@4.125041 4283 4900 3441 1 3383 1 2052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9668 *249.9669* C9 H2 N2 O5 S 18207 17372 29296 18318 17581 25338 25559 25604 18024 17843 18182 18002 18584 17691 18229 16924 17466 17988 28434 18509 19664 19110 18134 18974 19601 29650 19741 28920 17788 19046 19341 18449 30693 19403 17000 18060 18710 19220 17167 17271 19281 28586 18781 29054 19617 18254 17517 27567 19044 19068 24737 20140 28387 18725 19610 20451 18617 22834 18506 29527 18940 18847 19588 20157 20911 19386 20867 19356 19288 18858 19647 20462 19928 30240 16730 19234 18580 31137 17708 28717 28549 17692 16555 18139 19007 19688 17008 17845 19721 18888 249.9669 *249.9671* 249.9671@3.6440651 5883 5415 4811 4538 7879 7294 7174 3042 2067 2612 2944 3370 2112 1770 1796 1581 3183 1456 1382 1 1152 1290 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9671 *249.9672* 249.9672@3.1427717 1 1992 1856 2198 1 1 1 1 1 1 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9672 *249.9672* 249.9672@3.1797655 7200 3419 2678 4901 2624 3143 1 1 2801 1 2002 3162 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.9672 *250.0434* 250.0434@5.581154 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0434 *250.0437* 250.0437@5.5441628 1 1 1 1 1 1 1 1 1 1 4015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0437 *250.0441* Diflunisal 3633 3863 1 1 2752 3081 17748 17185 4436 13603 6221 3616 8706 8672 5672 7408 9527 10150 8179 8196 21730 8603 7958 17926 6346 6296 1 4343 5822 4746 1 1 2831 2433 5871 5584 5533 4593 28199 30915 35107 25617 4339 3891 11280 12192 3660 3226 4373 5075 3328 4674 11386 11289 1 3591 11208 13111 35550 26457 5527 5866 24567 24590 9648 38262 20285 39295 16080 10734 28056 6633 1 1 20912 21415 35976 14736 2838 2335 19890 20386 13334 13114 25933 25200 7861 62013 1 1 C01691 250.0441 *250.0442* 250.0442@5.4694214 1 27305 1 1 1 1 1 1 12827 5314 9275 24379 1 1 1 1 1 1 21394 24604 8039 24685 18451 8240 1 1 1 1 1 1 1 1 1 1 38599 38971 1 1 1 1 1 9402 1 1 27756 28849 1 1 1 1 1 1 1 1 1 1 28903 26318 1 12621 1 1 1 1 25301 1 17802 1 24123 29604 23055 1 1 1 1 1 1 23156 1 1 1 1 31887 31647 1 1 59312 1 1 1 250.0442 *250.0451* 250.0451@5.3975925 1 1 1 1 1 1 1 1 1 1 4068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0451 *250.0531* 250.0531@0.9438108 1 1 1 1 1 1 1 1 1 1 20182 20701 1 1 1 1 1 1 18748 18796 10087 11553 1 1 1 1 1 8941 12052 6824 6691 1 6343 6519 5712 5752 1 1 1 1 1 1 1 1 4141 1 1 1 1 1 1 1 1 3303 3223 2903 1 7114 1 1 1 1 1 1 3124 1 3634 3682 1 1 3777 2425 1 1 1 3708 1 1 1 1 8203 1 1 1 10031 5456 1 8650 1 1 250.0531 *250.0553* C6 H10 N4 O7 2946 3668 8326 7584 6374 7118 1 1 7633 7993 7999 6698 2893 3130 9757 9109 8569 7920 8672 7996 8074 8353 8500 8001 8202 8157 9665 9390 9253 9146 9099 9755 9342 9130 10742 11092 11047 11121 10108 10717 10852 10858 11757 12696 11810 11336 4242 4213 12442 13242 10067 11416 11898 1215 13826 13760 10565 10081 3963 3806 12958 12223 7460 7174 9250 8886 5528 5684 9413 8696 10620 9290 8299 8025 8264 9035 10607 10118 10025 10199 6198 6164 12819 12832 10919 9772 11715 11112 1 1 250.0553 *250.0557* 250.0557@3.1638463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0557 *250.0586* 250.0586@0.95103884 1 1 8805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0586 *250.0594* 250.0594@0.93427783 1 1 2752 8369 7284 7598 13516 12727 5036 5413 1 1 1979 7716 3676 1 1 1 1 1 1 1 9518 3903 6550 7156 8313 1 1 3505 1 1 1 1 1 1 2772 1 1 1 3587 4321 1 1 1 3134 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3621 1 1 1 3985 3185 1 1 1 1 1 3522 1 1 1 1 250.0594 *250.0653* 250.0653@0.93883574 5298 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 4285 5453 5545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0653 *250.1047* 250.1047@3.8760478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 2304 1 1 1 1 2431 1 2766 1 1 2845 1748 1 2629 2567 1 1 1 1 1 1 250.1047 *250.1191* Ubiquinone 1 1 1 1 1 1 1 1 2466 1 1 1 1 1 1 1 1 2491 2663 1 1 1 1 1 1 1 1 1 2604 2463 1 1 2545 1 2896 2596 1 2561 2673 2742 1 2453 2489 2904 2867 3045 2502 2605 3000 3037 2612 3047 2581 1 1 2842 2658 1 1 1 1 2790 1 2808 1 1 2426 1 1 1 2656 1 2485 1 1 1 1 2318 1 2642 2621 2511 2317 1 2717 2297 1 2573 2773 2513 HMDB02012 C00399 250.1191 *250.1557* 250.1557@10.584468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1557 *250.1558* Gemfibrozil M2 6776 6938 48680 45685 11686 12140 36031 37793 60432 57421 14078 14490 30173 28964 62402 58221 3961 3572 17394 18347 4464 4669 8075 7038 9453 9402 24443 24806 32543 35818 1 1 4353 4744 3465 3132 26167 26496 5058 5174 42047 37366 2712 2788 2712 2879 7241 6897 2686 2408 45936 49476 3078 2861 9261 9538 3572 2729 3559 3356 1 2179 1 1 14434 2140 1 2148 1 1 2249 1 1 2252 2240 1 1 2436 2413 2543 7570 7508 2654 3112 2090 2577 1 1 1839 2400 250.1558 *250.156* 250.156@8.2264595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5653 5837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.156 *250.1918* 250.1918@12.082295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5196 4645 250.1918 *252.0482* 252.0482@1.1680466 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0482 *252.0715* 252.0715@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0715 *252.0984* C13 H16 O5 3402 3467 3204 3686 3411 3604 3925 3966 3662 3513 4332 4189 3906 3740 4117 3745 3681 3501 4054 4173 4671 5089 4480 4658 3815 3836 3894 3966 3817 3922 4194 4309 4544 4396 3684 3836 5210 5482 5173 5172 4792 5517 4673 5238 4529 4164 4751 4589 4747 4249 4812 4716 4280 4628 4421 4547 4523 5753 6444 6480 6177 5419 5289 5389 5636 5382 6040 6000 6000 4941 6047 6529 6223 5823 5654 5367 5313 5315 4684 5428 5372 5266 5640 5055 5411 5637 5432 5328 5286 6033 252.0984 *252.1145* 252.1145@3.4677913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26923 27886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1145 *252.1199* 252.1199@3.6530359 1 1 1 1 1 1 1 1 1 1 1 1 14521 15100 1 1 2101 2352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1199 *252.1357* 252.1357@7.7990823 1 1 1 1 1 1 3294 3534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2846 2594 1 1 1 1 1 1 1 1 1 1 1 1 4032 4287 1 1 1 1 1 1 1 1 1 1 1 1 2983 3290 1 1 1 1 1 1 1 1 1 1 1 1 8113 7792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1357 *253.9549* 253.9549@0.8194768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8698 1 1 1 1 253.9549 *254.0367* 254.0367@3.7395191 8948 8021 4573 3810 3002 3125 1 1 1 1 2841 1 2575 2441 2356 2085 3161 3685 3304 2923 1 1 1 1 2823 2513 1 1 1 1 1 1 1 1 1 1 3087 2760 2521 2881 1 1 2437 1 1 1 2412 1 1 1 1 1 3058 2812 2534 2322 1 3029 2636 2598 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 2463 1 1 1 1 1 1 1 254.0367 *254.0686* 254.0686@5.1395636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3482 3136 1 1 1 1 254.0686 *254.07* 254.07@5.2457485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1 1 1 1 254.07 *254.0892* 254.0892@9.588581 1 1 1 1 1 1 1 1 1 1 5233 4554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2655 2295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0892 *254.1146* 254.1146@7.0319285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3230 3359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18755 19016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1146 *254.1503* C14 H22 O4 - 8.498149 3490 3113 9547 9071 2576 2601 9381 9695 7766 7070 4447 4715 6238 6814 16754 17768 2971 3011 3062 3162 1 1 5507 4906 6349 6940 11258 10480 10396 10936 3842 3976 8851 8618 5589 5391 13799 14766 7093 7047 15675 16326 1 2045 1 2311 9352 9155 1 1 18047 19106 1 1953 11337 11469 4349 3756 6901 6945 1 1 1901 1 2499 7723 1 2026 1 2299 2620 2593 3999 4222 2809 2958 5631 4718 6126 6077 10619 11510 5180 4976 1 2765 2443 2470 4619 4270 254.1503 *254.1505* 254.1505@7.08962 1 1 1 2147 1 1 1 1 1 1 1 1 2183 1 2489 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 2687 2508 1 1 1 1 1 1 1 1 2148 1 1 1 2371 1 1 1 2475 2995 1 1 1 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 2616 2332 2424 1 1 1 1 1 1 1 1 254.1505 *254.1505* C14 H22 O4 1 1 2630 2507 1 1 3337 3615 3174 2998 1 1 1 1 4691 4340 1 1 1 1 1 1 1 1 1 1 2602 1 3319 3137 3914 3370 5607 5858 3028 2690 7043 6554 5172 4878 4579 4998 1 1 3419 3329 4462 4811 1 1 5868 5982 1 1 5261 5489 1 1 3727 3550 1 1 3118 1 5140 11309 1 1 1 1 1 2540 3687 3523 2134 1 3544 3766 6197 5752 4417 4668 3833 3528 1 1 1 1 2648 3070 254.1505 *254.1505* 254.1505@8.852483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1505 *254.1508* 254.1508@8.0350685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4932 4481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3778 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1508 *254.151* 254.151@7.853939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.151 *254.2234* 7-palmitoleic acid 21133 19326 39158 36250 49268 48235 16591 17050 9395 8555 19308 20042 50479 49076 12882 13210 11775 11605 12921 13105 58205 64659 17722 17983 8386 7672 11911 10943 30464 29954 406773 396646 57012 61147 8801 8162 96558 88511 481409 494893 12398 14372 85814 88401 58177 58487 84290 80088 9703 8460 261882 270871 28840 31545 16780 13084 57564 54831 88681 87525 1 3355 3388 2995 34784 34314 14745 13325 16764 15998 46656 45820 20360 19812 22197 22492 27146 24139 49256 53427 21123 23806 16711 13827 52452 47735 1 1 488640 476864 254.2234 *254.2236* 254.2236@13.345596 1 1 1 4024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 1 1 2887 4181 1 1 1 1 1 1 1 1 5005 4043 4822 1 1 1 1 1 1 1 1 1 1 1 1 2858 1 1 1 1 1 1 1 1 1 1 1 2022 1 1 1 1 1 1 1 1 3923 4113 1 1 1 1 1 1 1 1 12618 11946 254.2236 *255.9177* C6 H8 O S5 1 3686 1 3118 1 1 1 1 1 1 5288 1 2610 1 2413 1 2770 2880 1 1 1 3157 2641 2741 2850 1 3468 1 2749 3067 2820 2868 1 3893 3046 3510 1 1 2445 5461 2915 2795 2911 1 1 1 1 2881 1 2494 1 1 1 1 1 2478 1 1 1 1 3358 3200 4604 1 2409 2770 1 1 2457 4562 1 1 2558 1 2986 2801 2981 1 1 3481 1 2654 4970 2729 1 2847 3132 3046 2521 2432 255.9177 *255.922* 255.922@0.8549843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.922 *255.928* C4 H4 N2 O5 S3 5843 5411 7625 4896 7716 8254 9243 10913 8028 8178 4453 7994 5074 5284 5353 8064 5460 5025 7813 7476 5761 5306 4914 4934 5169 8570 4790 7493 4899 4952 5501 5830 8130 4394 5583 4524 7388 7399 6230 4887 4193 4304 5146 8342 6384 4201 4989 5214 4889 4656 5058 7405 7916 4770 6872 4442 7964 7077 4304 4723 4337 4881 4281 4983 5590 5058 4611 5126 4574 4978 1 5695 4352 7468 5734 5430 5398 8548 7761 8289 6469 4408 5351 6355 6704 7206 5597 5709 5314 5095 255.928 *255.9752* C14 H5 Cl O S 7136 8131 7882 7591 8026 7625 7091 5863 6996 6870 7449 7009 7004 7512 5676 6135 7273 6509 4678 4936 5400 5024 5329 5055 5268 5415 5995 5192 4161 4035 6200 5981 6725 6324 6526 6811 6790 1 7053 6327 6450 7294 5342 5214 6500 6838 1 1 6287 5862 6619 6240 6005 5914 6222 6737 6460 6258 4450 4753 6056 5852 6880 6231 8569 7645 7925 6807 6903 6537 6379 6250 4991 5436 6947 6932 5670 5703 5178 5763 4899 4604 6027 1 4718 5016 4211 4732 5005 5150 255.9752 *255.9882* C6 H8 O9 S 7061 7174 7488 8359 18310 18378 25404 24563 16947 18318 58541 55164 5158 5801 4107 3926 13934 13926 11615 12382 9425 10061 7981 7890 5985 6004 7553 7233 4397 4390 14257 14508 9865 11035 7375 7511 11572 11864 12251 12544 6403 7216 6816 7967 8047 7182 7981 8504 10098 9757 14901 15509 5488 4968 10755 12680 63781 66664 8382 9039 12398 13374 65948 64328 10411 9900 14539 16587 8920 8408 18588 17105 6681 6560 25867 26431 14760 14890 8390 7947 13249 13158 12761 12414 34771 37046 20962 20181 8861 10305 255.9882 *255.9886* C9 H5 Cl N2 O5 1 4115 6077 6982 5006 5061 10921 10746 12532 13933 7174 8984 5229 5047 4281 1 4485 3959 10151 10262 6561 6237 1 1 1 1 1 5122 1 1 11228 11368 8095 7723 4796 5048 4820 5409 8614 8114 6526 7098 6607 6773 5793 5606 4595 4439 5254 6006 15500 14403 1 1 5734 5775 21743 25979 1 5429 1836 5577 19532 23876 10093 10423 12531 9291 6770 6504 10145 10170 6556 6744 9771 9774 5551 5454 7786 7021 4681 4605 8780 8842 16510 15146 9348 9324 14027 9681 255.9886 *255.99* 255.99@0.9524664 1 1 1 1 1 1 1 1 3648 1 2149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3608 1 3982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.99 *256.0143* 256.0143@3.4313169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1653 1815 1 1 1 1 1 1 1 1 1 1 256.0143 *256.0143* 256.0143@3.4817977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9770 9490 1 1 1 1 1 1 1 1 1 1 256.0143 *256.0381* 256.0381@1.2925014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4920 2275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0381 *256.0668* 256.0668@0.9097294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10454 1 1 1 1 1 1 1 11595 1 1 1 1 1 9111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0668 *256.0754* ISOLIQUIRITIGENIN 2122 1 4682 4901 4616 4564 1 1 5260 6245 6089 5007 2417 2755 6313 6438 6901 7366 6688 6651 6200 6604 6750 6568 6701 6699 6287 6229 6615 6592 7331 7782 8175 8392 8703 8277 8085 8298 8307 8952 9326 9890 9091 9064 8443 8650 3577 3303 8695 9071 9076 10045 10732 10318 9768 9557 6979 6759 2406 2222 5409 6563 7379 7184 7546 7518 4878 4248 7554 7889 7765 7210 7881 8115 8082 8837 7971 7590 6918 6721 3958 3962 7501 7202 7043 6997 7941 7557 1 1 256.0754 *256.0836* 256.0836@5.149557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4291 4046 1 1 1 1 256.0836 *256.0895* 256.0895@4.297371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4720 3983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 2929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0895 *256.0938* C12 H16 O6 39725 40614 7681 8003 3061 2861 9662 10018 1 2128 53543 53937 27847 28442 7218 7148 3697 3392 170763 168862 50898 52083 127351 126400 2593 2475 1 1 98141 100119 19485 19037 34521 33510 1 1 1 1 2106 2095 8222 7524 5765 6197 89985 88168 46200 48080 18095 18039 8884 9279 3032 3241 12450 12673 53335 51813 12358 13216 1 1 5144 4762 1 1 7488 7494 1 1 23811 24118 11702 11151 11145 11836 2952 3691 48415 47907 23119 23335 13495 13228 13120 13079 15128 14380 2733 2961 256.0938 *256.1378* 256.1378@1.1850343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1673 1 1 1 1 1 1 1 1 1 1535 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 2378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2088 1872 1 1 1772 1 1 1 1 1 1 1 1 1 1 1 2216 1977 1 1 1 1 2001 2169 1 1 1 1 1 1 256.1378 *256.1416* 256.1416@5.03372 1 1 1 1 1 1 4919 5138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1416 *256.166* 256.166@8.541276 1 1 1 1 1 1 3027 3288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6686 6757 4692 4926 1 1 1 1 4543 5326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 1 1 1 1 5869 5645 7797 8517 1 1 1 1 1 1 1 1 3947 3838 1 1 3296 3788 1 1 1 1 1 1 1 1 8174 8767 256.166 *256.1664* 256.1664@8.372602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3816 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46938 47096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1664 *256.2268* 256.2268@5.3371587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 2466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2268 *256.2389* 2-propyl-tridecanoic acid - 14.579373 8503 8068 7594 1 11673 1 13549 9755 1 1 5557 45631 1 1 10234 5506 1 1 7840 9775 14425 11120 7090 6831 1 7341 8041 8161 11099 3183 16058 14725 620406 607950 4456 1 6470 13574 14630 13876 1 1 8461 1 1 1 547052 12042 1 1 16237 787178 1 1 1 10941 529097 13597 2976 8715 6969 7540 1 1 14409 13117 28528 8429 11035 8307 12422 10787 10180 14120 11179 8525 11457 11839 14081 17757 7575 11322 10185 12833 13096 1 1 1 7958 1069813 256.2389 *256.2389* 256.2389@14.636133 1 1 1 1 1 1 9505 1 1 1 2718 11643 1 1 1 1 1 1 1 1 1 1 1 2290 1 1 10214 1 1 3946 1 1 11931 11116 1 1 1 1 1 1 1 1 1 1 12833 13105 14817 3479 1 1 1 17822 1 1 1 1 21708 1 10290 1 1 1 1 9562 1 1 9233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13424 1 1 10978 18903 256.2389 *256.2395* 2-propyl-tridecanoic acid 426119 433324 348623 329891 502884 527031 419791 335059 310427 220040 401109 369757 381614 395673 326889 310306 308002 326466 415437 419213 582959 580600 363663 364139 334829 317310 321269 320484 588532 545516 658607 654110 4503 5166 309150 328196 584390 572650 947047 1071162 326190 343364 567941 569787 543026 565704 3750 4032 317481 327407 791266 7806 374514 365993 371306 388995 3423 511485 449213 448366 249023 242102 225338 245465 466574 461120 279069 323876 347503 330285 357893 357694 335262 355656 338518 345823 379752 373354 565609 566519 374508 358388 304678 326031 492617 509007 231393 231964 1049080 3011 256.2395 *256.2398* 256.2398@14.40903 1 1 1 1 1 1 1 1 1 1 4562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2398 *257.065* 257.065@0.948597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5487 5852 5190 1 1 1 1 1 1 1 1 1 257.065 *257.0996* 257.0996@0.8519509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.0996 *257.122* 257.122@2.2852068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3670 4177 1 1 1 1 1 1 1 1 1 1 1 1 5047 4955 257.122 *257.2419* 257.2419@14.220323 1 1 1 5406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2644 1 1 1 1 1 4297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 257.2419 *257.9619* 257.9619@0.805964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1861 1 1 1 1 1 257.9619 *257.9649* C11 H8 Cl2 O S 1382 1303 1490 1304 1335 1529 1 1577 1467 1534 1504 1386 1 1 1674 1907 1373 1 1500 1612 1 1705 1714 1520 1 1 1323 1476 1502 1367 1 1755 1441 1658 1516 1 1 1478 1603 1463 1665 1682 1504 1 1761 1638 1768 1522 1 1649 1786 1702 1564 1688 1621 1808 1509 1590 1913 1581 1540 1 1443 1491 1798 1611 1638 1 1697 1596 1640 1 1718 1621 1669 3342 2048 1811 1 2053 1 1778 1 1732 1 1752 1705 1827 1 1833 257.9649 *257.9974* 257.9974@0.9711812 1 1 5255 4668 1 1 1 1 1 1 1 1 1 1 1 1 3200 1 1 1 1 1 1 1 3552 1 4621 4027 2399 1 1 1 1 1 1 1 1 1 6769 6696 1 1 3655 3282 4336 4354 3293 3690 1 1 1 1 1 1 3934 3780 1 1 1 1 1 1 1 1 1 1 1 1 3629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.9974 *258.0606* 258.0606@0.90001583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5246 3826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0606 *258.0711* C15 H14 O2 S 1 1 1 1 3351 1 1 1 1 1 1 1 5438 6135 1 1 4346 6303 1 1 5576 5410 1 1 5012 4325 1 1 1 1 1 1 3905 5016 1 1 7827 8539 13309 13369 7052 6602 5428 1 10323 7959 4765 6434 3873 5028 11857 11352 5103 4576 8026 9667 6543 7147 6978 8213 7246 8012 1 1 6000 5247 5024 6085 6641 8408 7399 6565 12022 11589 7126 8448 7010 7259 8679 7202 1876 1 5826 8294 4802 4492 6162 6899 15302 17870 258.0711 *258.0805* 258.0805@2.9584563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1 1 1 258.0805 *258.0857* 258.0857@6.630682 1 1 1 1 1 1 1 1 1 1 1 1 19294 19168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0857 *258.1063* C8 H14 N6 O4 12772 12317 3025 3199 1 1939 1716 1490 1 1 1 1 1489 1 1 1 3662 3538 3627 3781 1727 2221 1 1 4108 3938 1 1 2176 2134 1294 1 1927 1876 1 1 6012 6102 6044 5849 2277 2416 3506 3549 2925 2245 5018 4637 2420 2625 3741 3115 8532 8220 5539 5522 6419 6621 6815 7209 2945 3320 5732 5404 2212 1775 3884 3633 1784 1905 2171 2160 4177 4287 2127 2527 8797 8665 12368 12638 5613 6027 8405 9358 2498 3084 5188 4711 4635 5296 258.1063 *258.1223* 258.1223@8.287384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3006 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1223 *258.1818* 2-methyl-tridecanedioic acid 1 1 1 1 1 1 4584 4470 1 1 1 1 1 1 1 1 1 1 1 1 6104 6213 6874 6678 1 1 1 1 1 2303 10655 10252 9679 10101 2366 1 4088 4152 4173 3597 2356 1 1 1 1 1 2729 2757 1 1 3004 3231 1 1 6097 5793 3461 3758 5206 2976 1 1 3646 3558 19470 23368 1 1 1 1 3788 3926 1 1 5661 6215 3837 4076 5843 6165 2430 1 1 3263 1 1 5634 4697 9938 10436 258.1818 *258.1818* 258.1818@8.963098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3872 4529 1 1 1 1 1 1 1 1 1 1 5531 5234 1 1 2846 3019 7983 8048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5320 1 1 1 1 27773 27329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1818 *258.9757* 258.9757@3.8473322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 3969 1439 1 1 4347 4379 3147 1 1 1 1 1 3675 3926 1 3349 1 1 4270 4710 1 1 4823 4245 4286 4701 3986 4569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2988 1 1 1 1 1 1 1 1 3210 1 1 258.9757 *259.014* 259.014@3.6777897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3058 3006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.014 *259.0143* 259.0143@3.155695 1 1 1 1 1532 1 1 1 1 1 8303 9473 1 1 1687 1730 1 1 1 1 1498 1487 1 1 8775 9389 1 1 1 1 2758 2713 4126 4099 3544 3429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2537 2438 1599 1 1 1 1 1 6502 5820 1 1 1 1 1 1 4334 4117 10505 8885 1 1 259.0143 *259.0507* 259.0507@3.6303024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19561 20444 1 1 1 1 1 1 1 1 1 1 259.0507 *259.0521* 259.0521@2.4822876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14219 11667 1 1 1 1 259.0521 *259.0525* 259.0525@2.4277208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2398 9328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3760 4809 1 1 1 1 259.0525 *259.0548* 259.0548@3.2605324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 1 1 1 259.0548 *259.0731* 259.0731@1.0330434 1 1 1 1 1 1 1 1 1 3968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0731 *259.0828* 259.0828@1.5749843 1 1 1 1 1 1 4303 5195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7206 7907 1 1 1 1 1 1 1 1 1 1 259.0828 *259.0833* 259.0833@1.6833667 1 5574 1 1 1 1 5730 5383 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4632 5064 1 1 1 1 1 1 1 1 1 1 259.0833 *259.9902* 259.9902@0.8866256 1 1 1 3853 1 1 3628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6565 7022 1 1 4482 4813 1 1 1 2677 1 1 4124 3543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9902 *259.9945* 259.9945@13.477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9945 *259.9989* 259.9989@3.9925475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3630 3674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.9989 *260.035* 260.035@6.3063703 1 1 1 1 1 1 1 1 1 1 1 1 3854 4183 1 1 1 1 4317 4097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12634 11968 1 1 1 1 1 1 1 1 260.035 *260.0395* 260.0395@5.51061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 260.0395 *260.0396* 260.0396@0.89348304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 4700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0396 *260.0445* 260.0445@0.8927722 1 1 4877 4762 3440 1 1 1 1 1 1572 1 1 6761 1 1 1 3235 1 1 7408 1 1 1 1 1 1 1 1 4159 1 1 1 1 1 1 1 1 1 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 2917 1 1 1 1 1 1 1 1 1 3019 3391 1 1 1 1 3404 1 1 1 1 2240 1 1 1 1 1 1 2989 3486 3648 4462 260.0445 *260.0472* 260.0472@0.89338785 1 1 1 1 1 3816 6538 4687 3875 3531 1 1 5260 1 5504 5046 3027 1 4541 5323 1 6350 6349 8605 6494 6540 5336 6748 6867 3585 1 1 1 1 1 1 1 1 1 1 1 2439 1 1 1 1 1 1 1 1 1 1 1 3473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0472 *260.0647* 260.0647@1.0730722 1 1 1 1 1 1 7827 8428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0647 *260.0844* 260.0844@0.7976799 1 1 1748 1 1 1 1440 1 1 1 1 1 1 1 1 1517 1 1597 1788 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 1572 1 1593 1 1 1 2128 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 1 1953 1 1 1936 1723 1 1538 1 1 1 1 1 1975 1 1 1931 1852 1981 1 2211 2702 2224 1 1755 1 1 1 1 1 260.0844 *260.0915* 260.0915@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0915 *260.1227* 260.1227@4.708154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2560 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1227 *260.1356* 260.1356@3.835644 1 2127 1 1 1 1 1 1 1 1 1 1883 1 1 1 1 1 1 1865 2236 1 1 1 1 2135 1 1 1 2391 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 2341 2263 2342 1 1 2250 1 1 1 1 1 1 1 2539 2605 1 1 2844 2980 1 1 2032 2261 2368 1 2166 1 1 1 1 1 2267 2126 2624 2388 3040 2912 2817 2589 2972 2931 2264 1 2360 2392 1 1 260.1356 *261.0301* 261.0301@3.3501065 9295 9113 1 1 1 1 66848 67718 1 1 1 1 8268 8147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15036 15734 1 1 1 1 1 1 1 1 1 1 13976 14634 1 1 1 1 1 1 12979 12256 1 1 1 1 1 1 1 1 1 1 1 1 3209 3091 1 1 1 1 1 1 42009 42856 261.0301 *261.0311* 261.0311@1.6023326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6346 8087 1 1 1 1 1 1 1 1 1 1 261.0311 *261.0316* 261.0316@1.467853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3728 1 1 1 1 1 1 1 1 1 1 261.0316 *261.0325* 261.0325@1.229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.0325 *261.0602* 261.0602@1.0568101 1 1 1 1 3562 1 4670 4764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4068 1 1 1 1 1 1 1 1 1 1 261.0602 *261.0684* 261.0684@0.984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.0684 *261.99* C3 H11 Cl N6 S3 1 1 4205 4288 1 1 4253 1 1 3295 1 1 4010 3969 1 1 1 1 1 1 3266 1 2656 1 1989 2428 2538 1 2348 2658 3997 4303 1 3508 3265 1 3279 3783 3585 3775 3458 1 3923 4075 3699 3849 4645 1 3790 4676 1 1 4587 4281 3468 3631 4370 4324 3972 3532 4086 4048 8692 9266 4700 5087 7153 10556 4688 5102 6143 5236 5319 4506 6202 6147 4771 4876 4739 4185 4751 4526 4377 4553 5166 4310 4700 4231 4298 4070 261.99 *261.9971* 261.9971@0.8707045 2888 2513 1 1 2532 2844 1 4840 2809 1 3581 2792 1 1 2392 1 3287 2597 1 3345 1 2598 1 3120 1 1 1 2471 1 1 1 1 3654 1 1 1 1 1 1 1 1 3212 1 1 1 1 1 1 1 1 3933 4365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.9971 *262.0012* 262.0012@0.87106276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0012 *262.0088* C16 H6 O2 S 1887 1867 3021 2839 1 2587 3036 2993 2587 2166 2781 2337 1804 2068 2308 2309 1879 1 2064 2179 1690 1740 1 2109 1 1 1793 1630 1644 1430 2703 2841 1855 2302 1 1 1697 1504 1735 1704 1954 2060 1826 1 1277 1431 1 1 2056 1620 2360 2479 1980 2114 1 1 1 2088 1944 1 1 1 1 1 2225 1936 2265 2155 1 1 2300 2655 1948 2283 1579 1 1 1820 1692 1 1805 1 2549 2479 1 2249 1 1742 2050 1866 262.0088 *262.0151* 262.0151@3.9075782 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 2221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0151 *262.0205* 262.0205@3.6497316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12922 13403 1 1 1 1 1 1 1 1 1 1 262.0205 *262.0304* 262.0304@1.2354465 2689 3619 4986 6256 4377 5638 4799 5709 5744 5958 5802 5590 4978 5441 7334 7369 4844 1981 5067 2572 6970 8032 8098 7064 8446 7050 8858 7368 9495 8244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0304 *262.0475* METHYL 7-DESHYDROXYPYROGALLIN-4-CARBOXYLATE 2463 2365 5601 5543 3823 2714 2588 2562 3739 3537 3903 5271 2882 4075 6874 6625 2586 3184 5703 4203 2910 3030 5868 6335 4263 5461 4394 5755 4000 3924 3810 3790 2333 2091 2521 2626 5038 5115 3208 3026 3773 5497 6862 7419 4717 3314 4322 6570 7230 7025 3651 5048 5800 6009 7011 6575 6133 6517 7962 7470 8532 8372 3844 3645 3502 4299 5478 5847 6866 6993 7769 7794 7322 6840 6777 7589 7475 7987 1 1 7438 7254 8764 8893 6232 6247 7673 7267 5596 3597 262.0475 *262.0488* C8 H12 Cl2 N6 1421 1 1 1464 1 1 1 1 1 1 1 1 2035 1937 2632 1 1750 1 1 1 1582 1 1460 1 1959 1746 1 1 2223 2159 1808 1833 1 2165 1842 1753 2080 2044 1 1924 1656 1 1 2485 1754 1 1 1709 2372 2480 1460 1 1 1701 2226 2425 1 1872 2289 1 2587 2543 1 2093 2108 1 2308 1 2502 2762 2402 2543 2384 1 1799 1777 2126 1 1 1 1 1 1 1 1 2529 1814 1919 1 1 262.0488 *262.0511* C14 H6 N4 O2 9636 9652 1 7981 12103 12444 26188 14304 1 1 5386 9174 1 1 1 1 1 1 9079 7916 1 6604 1 1 1 1 7740 1 1 1 1 3364 34979 33337 1 1 7531 7435 7182 7453 1 28510 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5980 2271 11049 11606 1 1 1 1 6981 6394 2273 4190 1 4671 1 5646 14979 14198 10638 10071 1 1 7749 7450 1 1 5382 6522 262.0511 *262.0524* 262.0524@1.0829976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0524 *262.0553* C16 H10 N2 S 1 1 8191 1 1 1 1 1 6443 7204 4724 6588 1 4510 1 1 1 6507 1 1 6880 1 1 1 6568 7453 1 8111 7015 3814 8170 1 1 1 2282 4286 1 1 1 1 6152 1 4108 2134 1 6811 1 2143 1 4442 5292 5546 1 1 5025 3790 3409 6383 1 1 1 1 1 1 1 1 4786 5481 1 1 1 1 2321 1 1 1 5846 1 1 1 1 1 4291 3516 1 1 7677 5915 1 1 262.0553 *262.0587* 262.0587@1.0320845 1 1 1 1 1 1 1 1 1 1 5849 3512 1 1 1 1 1 1 7828 7526 1 1 9071 7356 1 1 1 1 1 2280 1 3279 1 1 2256 1 1 1 1 1 1 1 1 1 1 1 1 2240 1 1 1 1 1 1 1 1 3237 1 1 1 5582 5757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0587 *262.061* 262.061@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.061 *262.0655* 262.0655@0.9861005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7695 8998 1 1 1 1 1 1 1 1 3951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3735 4788 1 1 1 1 4231 1 1 1 262.0655 *262.0717* C10 H15 Cl N2 O4 4988 4135 1 6980 1 5365 1 1 6338 5152 1 1 8665 7692 7229 10236 1 3393 1 1 1 1 7616 7782 9296 8726 5557 6073 7918 9415 1 1 1 1 3601 3982 4300 4617 2083 1 1 6148 1 1 1 1 1 1 1 1 1 1 6013 2564 4344 4081 5197 3722 1 1 1 1 1 1 1 1 1 1 4766 5542 1 1 1 1 4799 4189 1 1 1 1 1 1 1 1 1 1 1 4310 1 3195 262.0717 *262.0781* 262.0781@0.98752266 1 1 6472 1 5217 1 5992 5898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7327 6798 1 1 1 4041 6611 4089 3729 8823 9107 3382 4011 1 1 1 1 1 1 5248 4799 5955 7130 1 1 4872 1 1 4240 1 1 1 1 1 1 1 1 5684 6241 1 3628 1 1 6864 1 1 1 1 1 1 1 262.0781 *262.0787* 262.0787@1.1190436 1 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0787 *262.0801* 262.0801@7.7035403 18338 16982 1 1 1 1 1 1 1 1 13855 14200 1 1 1 1 1 1 33223 29830 8096 7314 30267 30012 1 1 1 1 11951 11460 1 1 17609 16790 1 1 1 1 1 1 1 1 1 1 25008 23734 12472 13149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12752 11658 1 1 1 1 1 1 19205 17842 1 1 6679 8718 1 1 1 1 1 1 262.0801 *262.1139* 262.1139@1.1460497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6131 7292 1 1 5533 5489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5954 6161 1 1 1 1 1 1 4940 5083 1 1 7168 7180 1 1 1 1 1 1 1 1 1 1 1 1 262.1139 *263.0532* 263.0532@5.452378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19906 20399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.0532 *263.0703* C9 H15 Cl2 N5 4540 4376 7287 6557 5811 5827 8405 8162 6002 4799 5198 8578 5835 6260 6971 5921 5520 5160 6206 8474 5601 4957 7221 6798 6819 1 5698 4762 6838 6418 5068 4651 4326 4192 4979 4471 1 1 1 1 3730 3617 3285 3511 3921 4471 1 1 1 3374 3211 3435 4719 4850 3779 3988 3406 3594 2794 1 1 1 1 1 1 1 2909 1 1 1 1 1 3543 1 1 1 1 3460 3207 1 3900 3520 1 1 6250 6919 4786 1 1 1 263.0703 *263.0752* 263.0752@0.9699267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3036 1 1 1 1 1 1 1 1 1 1 263.0752 *263.9828* 263.9828@0.86046916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 2022 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 2380 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 2477 1 1 1 1 263.9828 *263.9878* 263.9878@0.8169561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.9878 *264.0271* 264.0271@4.4075556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2990 2823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0271 *264.0355* C15 H8 N2 O S 1 1 2844 2966 3757 3108 5326 6630 1 1 5497 5643 6813 6509 1 1777 2175 1 2830 2538 1 1 1 1 2583 2585 1 1 8231 7457 1 1 1 4091 4247 3785 1 2609 1 1 8120 7694 1 1 3277 2490 3112 3733 11411 11632 1 1 1 1 2380 2083 1 1 1 1 4082 4277 1 1 3186 3268 5913 6652 1 1 4394 4607 1 1 1 1 1 2339 1 1 9019 8784 1 1 3282 3600 1 1913 1 1 264.0355 *264.0374* 264.0374@3.6527305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1718 1 1 1 1 1 1 1 1 1 1 264.0374 *264.0453* 264.0453@3.642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0453 *264.0654* C10 H16 O6 S 17148 17439 15569 19501 19688 19202 26954 27276 18482 18877 30242 26050 17708 18348 24114 24034 19326 18559 26810 25605 15604 16567 21926 19413 25216 24919 16941 17113 23042 1 20354 19331 18594 17498 18863 13623 9339 9313 8906 9091 12547 9493 1 1 14448 14042 9080 9235 11268 11084 2534 13177 17999 18846 14393 14552 11817 11926 9947 1 7342 7164 7482 6607 12996 12252 1 11203 7639 7929 1 9981 12213 11236 9687 10854 11778 12298 12684 20667 13579 14442 9597 8906 31314 18675 14794 18231 8890 9183 264.0654 *264.0669* 264.0669@1.008014 1 1 4648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4349 1 1 1 1 2347 1 1 1 1 1413 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0669 *264.1097* N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 66427 68317 40090 41139 94370 93896 15860 176652 55739 57694 100368 96801 55259 59044 47464 47963 105273 97012 67540 63313 45100 45303 28369 28278 173120 177210 62317 63084 46605 46691 35677 36432 161543 164059 54056 50190 76513 75138 67655 69879 25748 25753 45381 43652 121438 119968 11026 10366 33670 33162 144147 142705 18924 19204 44712 44749 67393 67744 8112 7075 24463 23075 22886 22233 232366 234137 182083 181150 25007 25334 63393 60614 52891 54412 20898 20790 74803 77860 85940 83951 84844 89470 27437 27141 72617 73338 143626 141826 25116 24902 264.1097 *264.1106* 264.1106@4.344055 1 1 1 1 1 1 160851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1106 *264.1347* 264.1347@7.4331126 1 1 1 1 1 1 5243 5280 1 1 1 2073 1 1 1 1 3679 3783 1 1 1 1 1 1 1 1 1 1 2263 2186 1 1 6847 6440 3665 3059 2600 2525 1 1 5212 4307 1 1 1 2209 1 1 1 1 1 1 2668 3141 1 2661 1 1 1 1 2818 2675 1 1 2234 2396 1 1 1 1 1 1 2110 2395 3144 2578 1 1 1 1 1 1 1 1 1 1 2593 1 1 1 264.1347 *264.1712* C16 H24 O3 10546 10679 10672 10566 10710 10912 11257 11421 11803 12770 11155 11919 10807 10364 12623 11267 11015 11045 10120 11405 11728 11668 12387 12552 13058 12582 11846 11032 11978 13205 13015 14114 13929 14079 14887 14184 12929 13793 13263 13335 14544 13789 14824 15861 13350 16113 14245 14865 15637 15692 16878 16408 14076 13434 16125 16430 14621 14777 14036 14832 14288 14310 13479 13698 12549 13974 12684 13521 14349 14973 13853 13338 13620 13414 13194 12738 13320 13013 13198 13534 12429 13818 14074 13811 13537 14408 13745 13407 14138 14904 264.1712 *264.1715* 264.1715@11.3531885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 264.1715 *264.2463* 264.2463@4.32183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.2463 *265.9411* C5 H6 N4 O S4 1594 1386 1 1 1 1276 1 1 1 1 1602 1977 1206 1 1 1 1 1 1 1 1 1227 1 1 1510 2669 1 2714 1 1609 4454 1800 2908 1 1570 1605 1447 1 4396 1 1 1696 1 1 1 1 1391 2419 4517 1 1 1135 1 4157 2545 1 4965 1 1 1623 1916 1725 1676 1582 1541 1377 1 1 1 1 1427 1 1415 3728 1 1345 1 1267 1 1405 1 4802 1 1502 1 1337 1 1492 1 1 265.9411 *266.0366* C19 H6 O2 - 3.8938124 8278 6945 5524 5519 5356 5498 2968 2493 5552 6351 6436 5602 6182 6375 4509 4583 4457 4837 6624 6538 5629 5466 4634 4630 4837 5124 3268 2808 2803 2991 3610 3808 1 1 2383 1 1 1 4524 3981 1 1 1 3703 3653 3373 1 1 3688 3181 1 1 2542 1 1 2673 3795 4055 3986 4140 1 1 1 1 3207 2771 1 1 3888 3719 3791 1 1 1 1 3407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0366 *266.0367* C19 H6 O2 10651 10635 8318 8535 10181 10160 6619 6404 8987 8910 9228 9236 8736 8513 8390 8096 8308 8486 10733 10225 10025 9115 8557 8889 8993 9455 8188 8449 8256 8367 8620 8643 7590 7601 6791 6645 9125 9297 8266 7605 7491 8008 9128 9567 7120 7057 9047 9328 7484 8090 8022 7901 8219 7905 8583 8583 7881 7397 8511 8235 8469 9001 6153 6668 6823 6125 8114 8434 7899 7729 8164 8035 7294 7215 7532 7002 7292 7456 7128 6883 7111 7706 7143 7270 5627 5484 3785 3390 6058 6609 266.0367 *266.0386* 266.0386@4.427359 1 1 1 1 1 1 4334 4129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3652 1 5548 5645 1 1 1 1 4114 4106 1 1 8602 8790 5698 6478 4106 4762 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 7289 7937 1 1 1 1 4563 5731 1 1 1 1 1 1 10141 9962 4281 4310 7168 6943 7225 6565 1 3937 1 1 266.0386 *266.0499* 266.0499@1.7755268 1 1 1 1 1 1 1 1 1 1 1 1 1 4155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 3947 1 1 1 1 6665 1 4836 1 2745 1 1 8757 1 1 4318 1 1 1 1 1 1 1 6372 1 1 1 5704 5161 1 11975 1 1 6497 1 1 1 5372 1 12058 1 4706 1 1 1 1 1 1 1 11930 1 1 1 11325 1 9443 6979 4350 5960 266.0499 *266.0502* 266.0502@1.7048061 1 1 1 1 1 1 1 1 1 1 1 1 1 2886 3445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 6536 3230 1 1 1 1 4206 1 2473 3997 5321 1 7454 10421 1 1 4130 1 7854 1 1 8603 5109 5901 8714 5523 1 2386 3416 4500 1 4695 1 1 3068 1 4242 1 4623 1 5671 1 7188 1 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 3629 2309 266.0502 *266.0504* 266.0504@1.7458868 1 1 1 1 1 1 1 1 1 1 1 6350 6919 1 1 1 1 1 1 1 1 1 1 1 1 1 3986 8185 7689 1461 1 1 1 1 1 1 1 9849 1 1 1 8466 9656 1 10171 9834 1 13523 14656 22740 8717 1 1 8003 1 1 6403 1 1 1 15685 1 1 1 1 10421 1 12609 1 10874 1 18525 1 11312 9723 9716 7682 8283 10000 8904 1701 12636 14373 15730 1 4598 1 1 1 1 266.0504 *266.0515* 266.0515@1.695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0515 *266.0802* 266.0802@0.9201512 1 1 3540 3782 1 1 9381 9126 1 1 1 1 1 1 1 3482 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 1 1 3449 2846 1 1 1 1 1 1 1 1 1 1 1 11560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2746 3087 1 2746 1 1 1 3050 1 1 1 1 266.0802 *266.0984* 266.0984@3.6230917 1 1 1 1 1 1 1 1 1 1 1 1 6659 7787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.0984 *266.1504* 266.1504@8.372705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24437 24887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7304 6741 13344 12773 1 1 1 1 1 1 1 1 1 1 1 1 10977 11426 1 1 1 1 1 1 1 1 1 1 266.1504 *266.1536* 266.1536@13.824187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 6259 1 1 1 1 1 1 1 5796 3715 1 1 1 1 1 1 1 1 1 1 2992 4559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3461 7550 266.1536 *266.1537* 266.1537@14.155924 1 1 1 1 1 3547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3902 3335 1 1 1 1 1 1 4285 3627 3020 1 3914 1 1 1 3676 4901 5313 5402 1 1 1 2369 4123 3269 1 3579 1 1 4147 8593 1 1 1 1 3106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6888 3276 266.1537 *266.1538* 266.1538@14.055245 1 1 1 1 2570 3121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3063 3217 1 1 1 1 1 1 1 3628 3892 6862 3202 3704 1 1 3043 3242 8777 8023 1 1 1 1 1 4141 1 1 1 1 7840 3640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 4785 266.1538 *266.1541* 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid (Gemfibrozil M1) 96611 95091 100052 103238 106170 102840 102195 103145 101824 105576 104805 109746 104725 110798 108749 108638 105726 103380 102496 112176 107944 105433 111328 110078 107734 93788 104090 103600 108507 116798 106556 113379 110985 119817 113567 113650 116184 117525 111359 119708 118995 117921 115168 115148 113129 110809 119060 119894 119574 120947 124269 122754 111323 114736 121719 118024 111480 72106 64834 65291 60248 60851 58398 58332 61815 61428 61034 62856 60317 61139 59252 59794 62531 62076 64379 61478 58852 59878 59805 61278 58663 60391 64092 63499 67882 68109 66425 64483 63226 63555 266.1541 *266.1541* 266.1541@9.739037 1 1 1 1 1 1 1 5589 1 3670 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1541 *267.0677* 267.0677@2.280265 4917 1 1 4345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5951 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 3455 1 1 6458 6652 1 1 4168 1 1 1 1 1 1 1 1 1 1 1 4655 5284 1 1 1 1 1 1 1 1 1 1 1 1 267.0677 *267.1464* 267.1464@4.125933 2570 2395 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1677 1 2168 2483 4197 4819 6368 6657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2261 1 1 1 4158 4261 1 1 267.1464 *267.8096* 267.8096@0.85183316 10583 10688 15606 15227 15036 15297 16788 17127 17340 21200 11667 10692 20712 17191 20175 16104 17962 17381 16583 17478 19058 14689 16531 15975 15716 15500 18546 15467 14319 14347 14894 15183 14962 14579 15418 17137 19537 14918 14862 15059 15755 15697 15404 19540 19284 18120 16472 16865 23231 18308 17357 17873 19428 19256 17246 17189 17581 17719 16599 16260 13731 13949 15246 14271 17162 17343 16343 21225 20397 21266 14895 15061 16805 17236 17485 18254 16656 16898 17374 21857 20093 19575 16185 16114 17026 16943 16466 16295 18363 17497 267.8096 *267.9589* 267.9589@7.034426 1 1 1 1 1 1 1 1 2519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.9589 *267.9703* 267.9703@4.7978425 1 1 1 1 1 1 4694 4406 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 2026 1 1 1 1 3156 1 1 1 1 1 1 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2161 1 3497 3244 1 1 267.9703 *268.064* 268.064@0.81095815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.064 *268.1084* 268.1084@3.0572088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3209 3253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1084 *268.1093* 268.1093@2.7766623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3066 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1093 *268.1297* 268.1297@7.5687304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2902 3215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1297 *268.13* C14 H20 O5 38556 40441 10543 11262 15115 14101 119234 123164 21112 19615 40873 40008 17738 17833 17945 17334 64566 59745 34257 35400 39801 39238 49321 48477 33918 34256 16402 15605 31295 34315 39703 39565 111579 113413 52748 52125 50783 50667 90058 83607 39643 41317 16665 15968 73954 76173 53394 57305 49538 47355 47191 46823 39862 38369 22016 23157 77480 78830 117341 119968 32789 32700 10341 9639 39918 41942 29069 30222 41006 41267 35644 34070 28066 27747 40525 40519 60233 59391 83121 80579 48866 49479 61349 62324 180075 189344 90537 91410 41256 42800 268.13 *268.1323* 268.1323@9.122279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1323 *268.1654* 268.1654@9.157231 1 1 1 1 1 1 1 1 2731 1 1 1 1 1 8307 6065 1 1 1 1 1 1 1 1 1 1 3178 1 3151 2819 1 1 1 1 1 1 1 1 1 1 3512 4578 1 1 1 1 1 1 1 1 5224 4968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1654 *268.2028* 268.2028@10.947294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 268.2028 *268.2387* 268.2387@13.743801 1 1 1 1 3525 3396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3937 4163 1 1 1 1 1 1 1 1 8473 8857 4370 4237 1 1 5313 5185 12138 11324 1 1 5023 5181 3402 3888 3985 3673 1 1 10942 10411 1 1 1 1 3494 3608 3519 4052 1 1 1 1 1 2183 1 1 1 1 1 1 1 1 1 1 1 1 4501 4363 1 1 1 1 1 2754 1 1 19053 17183 268.2387 *269.0943* 269.0943@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0943 *269.1086* 269.1086@0.8641958 9308 9058 1 1 1 1 1 4128 2915 1 8103 8751 1 1 1 1 7021 1 1 8559 1 6230 1 1 8574 1 1 1 1 7855 1 1 8747 1 1 1 1 11990 1 1 1 1 10218 1 1 1 1 4617 1 1 1 1 1 1 7070 7719 1 1 1 1 1 11327 5317 1 1 1 11431 11385 1 1 10511 1 7125 1 1 1 1 1 5256 1 1 1 1 1 5689 1 6253 6526 8015 1 269.1086 *269.8067* 269.8067@0.8517 18535 17179 26651 24784 25752 24753 27028 30013 28693 28444 17371 17276 29376 28161 28777 28454 30381 28892 27052 27540 26264 23803 28288 28200 24267 30051 27167 26277 25247 23197 24152 27239 24074 24397 24032 23871 26079 26981 23554 26460 26839 28926 24880 27396 33488 33830 27159 26467 33478 30211 32172 28777 31376 34131 27149 27583 32563 32569 28494 26278 22685 25383 24005 25719 31517 27699 30057 29702 37463 37937 25373 24375 27820 29205 32661 31721 27417 28286 30922 28611 30392 33389 26316 29991 30497 29877 27405 26960 28709 31702 269.8067 *270.0655* 270.0655@3.134035 1 1 1 1 1 1 2513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3934 3805 270.0655 *270.0822* 270.0822@7.930638 1 1 1 1 1 1 1 1 1 1 2715 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0822 *270.0823* 270.0823@0.8167758 3005 1 2212 1 1 1 1 1866 1 1 1 1 1 1 1 1934 1 1 1 1662 1 1 1588 2030 1998 1761 1918 2121 1 1 1 1 1796 2169 1 1 1 2092 1 1 1558 1661 1829 1 1 1 1 1 1 1 1 1643 1 1 1611 1 1 1 1970 1 1 1 1 2080 1594 1372 1 1 1 1 1 1598 1722 1 1 1721 1 1 1794 1778 1757 1 1 2041 1 1527 1884 1 1 1820 270.0823 *270.0831* Chloramphenicol alcohol 1 7682 1 2024 11814 1 1 3164 1 1 1 1 1 1 1 7235 1 1 1 1 11636 6681 1 1 7328 7955 6339 1 6174 1 1 1 2657 6730 1 1 1 7300 1 6657 1 1 1 1 10305 10899 1 3426 5635 1 1 7260 1 1 1 1 10315 1 1 1 7299 8733 1 8023 7118 6718 6623 6813 1 1 1 1 6923 1 1 6853 1 1 1 7168 1 1 1 1 4434 7331 1 7544 7857 1 270.0831 *270.0892* 270.0892@0.8780219 11472 1 6101 1 1 1 1 1 1 1 1 1 1 1 1 1 10045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0892 *270.095* Asp His 1 3623 1 2939 1 1 2922 2676 1 1 3470 3844 3123 2461 2770 2790 1 3358 3088 3031 1 3618 1 1 3743 3633 4255 1 4413 2639 1 1 8414 4680 3287 3678 1 5454 3326 3972 5035 4786 5553 4927 1 1 3412 3408 4900 3587 1 4070 1 2588 4123 3817 1 2480 3495 1 5744 1 3508 4164 3120 4435 5629 4634 1 3083 4923 5368 4234 1 10862 4229 4751 5141 3241 3460 3751 11802 5447 5142 4260 3866 3280 3018 4187 4202 270.095 *270.1066* Tolbutamide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1939 1 1 1 1904 1 1 1 1856 1 2129 2115 2251 2468 2549 2660 2918 2512 2748 2682 1985 2118 1 1 2668 2842 1912 1 1863 2005 2864 2794 2104 2106 4935 4764 6387 6175 4155 3466 4264 5167 1928 1 1 1 3541 3358 C07148 270.1066 *270.1449* 270.1449@7.8015866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2624 2217 1 1 1 1 1 1 5442 6212 1 1 4988 4582 1 1 1 1 1 1 1 1 4355 3307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1449 *270.1456* 270.1456@7.578627 1 1 1 2676 1 1 1 2752 1 1 1 1 1 1 2752 2729 1 1 1 1 1 1 1 1 1 1 1 1 3115 3969 1 1 1 1 1 1 7066 7522 3023 2654 7058 6858 1 1 1 1 1 1 1 1 2474 1 1 1 1 1 1 1 3551 3911 1 1 1 1 1 1 1 1 1 1 1 1 3305 1 1 1 1 1 2996 1 3161 3410 1 1 1 1 1 1 1 1 270.1456 *270.1573* 270.1573@5.7156363 1 1 1 1 1 1 3988 3903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 3114 2626 1 1 1 1 270.1573 *270.1793* 270.1793@9.06335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4894 3586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1793 *270.1814* 270.1814@8.812698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6808 8403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1814 *270.254* 270.254@14.487086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4315 4007 1 1 1 1 1 1 1 4504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5050 5386 270.254 *270.2547* 10-methyl-hexadecanoic acid 4563 4548 3904 4761 6382 6734 6402 5780 1 1 4575 4714 4264 4162 1 1 1 1 5286 5084 7418 7636 4106 4060 1 1 1 1 8741 8361 8952 9046 9028 7644 1 1 6714 9119 14486 13786 1 1 6578 6387 8810 8249 8234 7697 1 1 12340 14238 4444 1 1 4356 8385 8693 6432 5069 1 3326 1 1 8664 8670 4617 3707 4782 5264 5724 5239 5227 5474 4753 5291 6201 6304 11581 11634 4905 5220 4576 5141 8199 8252 1 1 14382 19133 270.2547 *271.8039* 271.8039@0.8518415 11019 10641 15117 15672 15929 15357 17464 17307 17965 17946 11130 10589 17092 17451 16690 15889 18183 18151 1 17196 15350 15422 16969 16458 15730 16086 15721 15337 15101 10443 15620 15974 15261 15255 14800 15526 16552 16233 15719 15996 17129 17152 15707 16147 19693 19768 16818 17479 19599 19699 17993 18258 19924 21461 17570 18320 18572 18603 15907 17117 14051 15187 15890 14892 17780 17534 17268 17912 21365 21190 15177 15403 16867 17095 18547 18990 16729 17402 18115 17362 19516 20374 17228 17018 17678 17835 1 17132 18074 18813 271.8039 *271.8048* 271.8048@0.84565467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17295 1 1 1 1 1 1 1 1 1 1 4474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18371 1 1 1 271.8048 *271.9857* 271.9857@0.78394717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 1 2575 1 1 1 1 1 1 1 271.9857 *272.0806* 272.0806@3.6503403 1 1 1 1 1 1 1 1 4410 4132 1 1 1 1 1 1 1 2834 1 3161 1 1 1 4281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2920 1 3857 1 3648 1 1 1 1 4331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3369 1 1 1 1 1 1 1 1 3969 2649 1 3640 3059 1 2923 1 1 3594 3450 1 1 272.0806 *272.1218* 272.1218@6.517874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 2410 3292 3370 1 1 1 1 1 1 1 1 1 1 1 1 272.1218 *272.1608* 272.1608@7.229595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19620 18940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1608 *272.2337* 3-hydroxy-hexadecanoic acid 3909 3803 1 1 4308 4170 1 1 1 1 4400 4121 1 1 1 1 1 1 4193 4510 5749 6802 3377 1 1 1 1 1 4967 5926 10327 10073 6795 6699 1 1 7137 7508 9504 10186 1 3356 4711 4950 5864 5191 5396 5609 1 3525 8010 7418 3062 3188 3319 1 6722 6724 5571 6166 1 1 1 1 7568 7080 4057 4043 3992 4017 4806 4785 6115 5497 3843 4077 5052 4630 9118 8691 4026 4645 4955 4615 6174 6657 1 1 12814 12397 272.2337 *272.9903* C12 H3 N O7 1 1 2239 2174 1 1 1 1 1 1 1 1 2212 1 2102 2503 2128 1958 3227 1 2720 2693 2662 1570 2901 1 2522 2581 2933 1810 1 2496 1 1 2478 2266 2469 2696 2748 2111 3741 3411 1937 1811 1 1 3487 1 2447 2595 1 1 6913 1 2736 3213 1 1 2554 4374 1 1 4874 1914 1304 1434 1 1 1939 2658 1 1 1611 1624 2322 2647 2015 1 1 2172 1395 2475 2047 1634 1 1 1 1 5366 5497 272.9903 *272.9906* 272.9906@4.7883244 1283 1356 2217 1840 1 1 1 1 1 1 1 1 1128 1 1 1442 1 1 1 1 1197 1 1599 3028 1 1 1490 1 1725 1469 1877 1697 1 2361 1 1 1874 1942 1888 2687 2397 2787 3236 3289 1 1 1 3277 1967 2169 1 1 1 7167 2067 2178 1 1 1888 1 1 1 1 1 1 1 1 1 1 1731 1 1386 1 1 1951 1970 1 1 1 1 1 1503 2800 2779 1 1 1 1 1 1 272.9906 *273.0521* 273.0521@1.1293392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4853 5452 1 4539 1 3946 1 1 5291 1 3836 1 1 1 1 1 5136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4566 3691 273.0521 *273.0526* 273.0526@1.1237983 4636 5554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6077 5887 1 1 1 1 4532 1 8347 2802 1 1 1 4742 1 1 1 1 1 1 1 5537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.0526 *273.0863* 273.0863@5.244995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2661 2383 1 1 1 1 273.0863 *273.1071* 273.1071@3.6492932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 2085 1 1 273.1071 *273.8018* 273.8018@0.8513221 3468 3725 4884 4934 5349 4920 5845 5512 5789 5588 3422 4102 5564 5500 5233 5228 6164 6065 5401 5200 5096 4851 5571 5403 5088 5164 4873 5015 4806 5055 5060 5139 4927 5583 4857 4842 5398 4929 5009 4551 6331 5151 5004 5422 6332 6166 5455 5615 6188 6326 5723 6186 6275 6198 5684 5665 5885 6097 5284 5651 4796 4911 4791 4653 5712 5587 6346 5808 7074 7197 4789 5044 5629 5652 5584 6268 5516 5581 5958 5987 6997 6314 5574 5241 5661 5696 5927 5773 6119 7088 273.8018 *273.9658* C15 H2 N2 S2 89799 89134 103420 100652 90959 89902 131526 132912 99125 102785 82590 76933 90139 92086 93708 95197 95689 94123 90879 88590 61425 60589 86910 87254 99472 95645 99123 96080 109275 105926 73421 76705 98327 97143 117025 117953 104897 102004 116887 114689 99534 105217 108972 111341 101535 102121 116677 119634 119286 114593 84060 83430 105339 108490 101005 98763 106651 106322 111522 113386 124575 124037 108070 109680 77621 76559 100666 102598 91658 95509 105655 107688 117825 119736 109271 109164 101898 101328 120165 117409 132455 129763 130902 129744 119260 115091 137807 142758 111916 113924 273.9658 *274.0052* 274.0052@5.451857 1 1 1 1 1 1 1 1 1 1 21077 1 1 1 1 1 1 1 1 12245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8034 1 1 274.0052 *274.0053* C20 H2 O2 66546 66747 1 1 2676 1 19248 18142 22436 23428 8447 43868 5785 6091 4058 3973 5313 5007 24579 12968 26992 26197 19515 18414 1 1 1 1 1 1 1 1 1 1 35337 35609 1 1 8402 8185 12387 12299 1 1 14674 13774 1 1 1 1 1 1 1 1 1 1 9701 10607 8416 8214 1 1 3858 3975 7752 8011 7867 7717 7362 7875 1 21813 1 1 3243 1 6477 6877 1 1 1 1 7884 8355 3303 3591 18190 7385 1 1 274.0053 *274.0131* 274.0131@3.9892483 1 1 1 1 1 1 3075 2664 1 1 3309 3712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0131 *274.0132* 274.0132@4.8555617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3567 3323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0132 *274.0491* 274.0491@1.1301944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28993 1 1 1 1 1 1 33716 25124 1 1 22756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12746 1 274.0491 *274.0501* C12 H18 O S3 15361 20646 1 4933 9969 13547 7772 6507 1 1 1 1 13195 8923 8703 12315 1 4945 12755 14391 25020 1 10077 11261 18788 19088 18485 17751 1 8302 13863 10203 1 25634 17493 15356 1 1 7496 6111 25057 22752 1 3955 1 1 1 1 1 1 5807 1 13418 10699 8919 8806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8141 12426 7849 6076 1 1 1 1 1 1 1 1 1 1 1 1 9582 9129 1 13330 274.0501 *274.0558* 274.0558@1.123707 1 1 6877 1 1 1 1 1 1 1 3454 1 1 1 1 1 5674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6274 7250 1 1 1 1 5494 1 1 1 1 1 1 5454 1 5418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6082 1 1 1 1 1 274.0558 *274.0626* 274.0626@1.0979569 1 1 1 1 1 1 1 1 1 1 1 6555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3534 1 7765 9390 1 1 1 1 1 1 1 1 1 1 274.0626 *274.0691* 274.0691@1.1273851 1 1 1 1 1 1 1721 1 1 1 1 1 1 2610 1 1 1 1 1 1 1 1 1 1 13919 10711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 2949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16771 11646 274.0691 *274.0788* 274.0788@1.0009266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9144 1 1 1 1 1 1 1 1 1 1 1 274.0788 *274.079* 274.079@1.0708992 1 1 1 1 1 1 3939 4172 1 1 7897 1 1 1 1 1 6007 1 1 1 1 1 1 1 14942 14828 1 1 1 1 7724 5651 1 1 1 1 9307 1 1 1 1 1 1 1 9435 10426 1 1 1 1 1 1 8844 8964 8490 6276 1 1 1 1 2539 1 1 1 1 1 9383 8338 10856 5349 1 1 1 1 1 1 1 1 2643 8961 1 5829 2979 1 1 1 1 1 1 1 274.079 *274.0796* C13 H19 Cl O2 S 19955 19931 20730 15144 17121 22400 12353 12764 16857 16331 14823 20397 15166 18496 20274 23084 9915 16266 20818 20691 21241 23844 20673 21568 17832 12211 22913 20672 21030 17003 13352 16215 17206 19689 17290 17326 13555 22656 19278 17946 18296 22849 21245 22806 13878 11380 18778 18154 19183 17522 18531 18225 21238 19315 12387 11768 17582 19444 22121 19573 25100 23480 28810 25280 23502 26419 14239 14504 15738 14032 20440 20762 22693 21181 20710 21986 21394 21280 13925 13448 18205 13012 24038 22373 17676 18509 19748 23815 20627 20717 274.0796 *274.0842* 274.0842@2.6518989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0842 *274.0849* 274.0849@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.0849 *274.1169* 274.1169@9.895151 1 1 1 1 1 1 1 1 1 1 1 1 2966 3617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1169 *274.1508* 274.1508@8.383765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3513 3207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1508 *274.2134* 274.2134@13.083106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.2134 *274.8566* 274.8566@7.7436647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71959 72910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.8566 *275.0454* 275.0454@3.5002904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3015 3215 1 1 1 1 1 1 1 1 1 1 275.0454 *275.0457* 275.0457@3.58514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14620 15303 1 1 1 1 1 1 1 1 1 1 275.0457 *275.0721* 275.0721@1.0980959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.0721 *275.08* 275.08@1.0900172 1 1 3786 4471 3769 3893 11157 12920 3080 3012 3237 3327 1 1 3629 1 1 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1403 1 1 1 1 1 1 1 1 1 1 1 1 4207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6416 9314 1 1 1 1 1 3269 1 1 1 1 275.08 *275.0997* 275.0997@0.93494207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.0997 *275.105* 275.105@0.9480828 1 1 1 1 3774 3915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 3008 4256 3918 1 1 1 1 1 1 1 1 1 1936 1 1979 2379 2573 1 1 1 1 1 1 1 1 1 1 1 4781 1 1 2803 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 4481 2044 2810 4102 275.105 *275.1079* C17 H13 N3 O 5386 5396 6983 6254 1 1 5431 5381 5886 5878 7058 6700 7053 6658 6268 6554 5529 5304 4596 4676 5854 5869 7357 7589 7317 8240 6292 5969 9708 9199 6310 6019 4986 4157 1 1 5339 5398 6319 5851 7956 7833 6382 5889 8841 6935 6525 5049 6130 6479 6489 6621 5767 4283 7685 7652 6619 6264 5633 5905 5054 1 7349 7820 6825 2479 7073 7109 6895 8375 1 1 7029 7474 7775 7359 4287 4635 5510 4962 12684 2938 7098 7186 7275 4812 3224 5672 5122 4001 275.1079 *276.0313* Chlorpropamide 4739 4229 4225 3635 5481 5522 1 1 1 1 4070 3752 1 1 2121 1 1 1 5117 4848 5581 5745 1 1 3621 3841 4889 4889 3531 4177 3498 2779 6190 6215 1 1753 3421 3185 7392 7457 2685 1 3357 3232 1 3141 1 1 2328 2698 1 1820 1 1 2625 2294 2676 2514 2807 3113 3128 3147 3432 2996 4891 5288 1 2334 1 1 3942 4264 1 2236 3178 3161 4952 5189 3266 3574 6071 6346 1 1 1712 1 1 1 4747 4694 C06907 276.0313 *276.0384* 276.0384@1.0386881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5669 1 1 1 1 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2810 1 1 3528 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 2531 1 1 276.0384 *276.0395* 276.0395@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0395 *276.0596* 276.0596@0.7946489 1 1 1 2117 1 1 1 1 1 2256 2552 2505 2782 2499 1 2406 1 2032 2351 2398 1 2101 2242 1950 1 2304 2413 1 1 1 2203 2609 1 1 1 1 2363 1 1 1 1 1 3087 3058 1 1 1968 1 1 1 1 1 1 2368 3090 1 1 1 1 1 1 1 1 1612 3001 3010 1 2925 2924 2613 3074 2917 2728 3004 2778 1 3132 3135 2948 2680 3110 1 1 2728 1 2857 1 1 1 1 276.0596 *276.0645* 276.0645@1.107272 1 1 1 1 1 1 1 1 1 1 1 4274 1 1 1 1 1 1 1 1 4323 2239 1 1 1 1 1 1 1 1 6705 3698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4065 8110 276.0645 *276.0729* 276.0729@0.93500894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0729 *277.007* 277.007@3.8670626 10640 10360 1 1 1 1 14717 14959 1 1 1 1 2405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10392 10529 1 1 1 1 1 1 1 1 1 1 3570 3048 1 1 1 1 1 1 22686 22085 1 1 1 1 1 1 1 1 1 1 1 1 4679 4568 1 1 1 1 1 1 23064 23095 277.007 *277.0253* 277.0253@1.6048322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4768 6840 1 1 1 1 1 1 1 1 1 1 277.0253 *277.0254* 277.0254@1.4798508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3639 1 1 1 1 1 1 1 1 1 1 277.0254 *277.0787* 277.0787@0.99200046 1 1 1 1 1 1 1 1 1 1 13391 22080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 17614 17390 1 1 1 1 1 1 1 1 1 1 4006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3090 1 277.0787 *277.0822* C11 H11 N5 O4 18616 22973 1 1 1 1 24956 25386 21383 1 5447 1 23784 1 1 1 1 20831 24560 22006 1 28547 1 1 1 1 26589 29913 1 13984 1 1 19142 18916 19121 21351 17938 1 16658 1 1 1 17594 18315 24532 1 1 1 1 1 1 14697 20930 21119 16634 17269 20585 21088 1 1 16735 1 16412 1 15031 11535 15924 14692 1 1 17377 17831 1 15833 1 1 1 1 1 1 19281 19816 18477 1 18791 19166 22491 22100 18314 17781 277.0822 *277.0828* 277.0828@0.925035 1 1 23910 25055 23904 26571 1 1 1 21196 1 1 1 22225 21817 21744 21353 1 1 8212 56973 1 28044 57604 27076 29511 1 1 32251 47360 1 1 1 1 1 1 1 17898 1 17998 26804 25808 1 1 1 25417 23825 22158 21509 22532 18973 3955 1 1 1 1 1 1 24369 23361 1 15608 1 13878 1 2468 1 1 62642 25545 1 1 16976 1 19516 18072 19350 19984 16311 18733 1 1 1 17064 1 1 1 1 1 1 277.0828 *277.0862* 277.0862@1.1649731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0862 *277.0907* 277.0907@3.1634657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2056 1 1 4089 3634 1 1352 1 4308 1 1986 1 1 1 1493 1418 1 1 1 2816 5081 4927 1894 1 1 1 2860 2307 1 1 1753 1 1 1 1 1 1804 1 2174 1 1 1562 4676 1648 1 1 1 1 2480 1833 1 1 1962 5533 1 1 277.0907 *277.0914* Ser Asp Gly 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 2433 3214 1 1 3666 3459 4072 3742 1 1 1 3025 1 1 4976 1955 3991 3312 1 2759 3175 4571 3503 1643 1516 1 3810 5594 2796 5124 3201 1 1 3465 4568 3699 6099 3830 4435 3204 1639 1576 5037 5173 4618 5291 5556 5900 6293 5208 4434 4691 5505 5736 5805 5195 6095 5810 4850 4590 4579 3702 2015 4719 4526 6041 5197 5944 6511 6429 4475 5164 5999 2179 3292 3336 277.0914 *277.8386* 277.8386@0.8481162 1 13137 1 1 1 1 1 1 1 1 1 12090 1 1 1 1 18018 1 1 1 1 1 16182 1 17217 16542 1 1 1 7359 1 1 1 1 1 1 1 1 1 1 1 1 16406 16337 1 1 1 1 1 1 17100 1 1 1 1 1 1 1 1 1 14916 14119 16992 1 1 16807 1 17768 1 1 1 1 1 1 17465 1 17928 18113 1 1 1 1 16160 1 1 1 1 1 17548 16998 277.8386 *277.8392* 277.8392@0.84525084 13021 1 16005 16728 15617 15330 17300 16472 16984 16816 11899 1 16609 17168 15819 16782 1 17647 17074 17110 16351 15868 1 16375 1 1 16248 16080 16276 8440 14737 15191 17894 16029 15255 14573 16128 16239 15239 15254 16244 16178 1 1 18061 18957 16214 16701 18039 17325 1 17109 18121 17143 17303 18091 18632 16801 15387 16223 1 1 1 14130 18948 1 17067 1 20197 19535 15581 15352 17662 16733 1 17766 1 1 16808 16457 18804 18212 1 16491 16852 16570 16105 16378 1 1 277.8392 *277.963* 277.963@0.78198075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1929 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2297 1 1 1 277.963 *278.0616* 278.0616@3.0029662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 3646 1 1 1 1 1 1 1 1 1 1 2207 2651 2866 3191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 2447 1 1 1 1 1 1 1 1 1886 2355 1 1 4091 4218 1 1 2608 2220 1 1 1965 2441 2455 2633 1 1 5419 4680 1 1 1 1 278.0616 *278.0643* 278.0643@3.0744739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2985 3033 1 1 1 1 1 1 1 1 1 1 1 1 3551 3382 1 1 1 1 278.0643 *278.07* 278.07@3.072394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1 278.07 *278.0749* 278.0749@5.1785364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8625 7227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2322 2461 3556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2623 2664 3344 2317 1 1 1 1 1 1 1 1 278.0749 *278.0781* 278.0781@1.0591787 1 1 1 1 4726 1 1 1 1 2903 25167 1 1 1 1 1 1 1 1 1 8216 1 1 1 1 9255 1 1 1 10860 9822 1 1 6853 5858 1 1 1 1 2171 1 1 1 6651 1 1 1 1 1 1 1 3535 1 1 6775 1 1 1 1 1 5438 1 1 1 1 1 1 1 1 1 1 1 1 5289 1 1 1 1 1 1 2580 1 1 1 2600 1 5260 4951 1 7620 278.0781 *278.0785* 278.0785@1.1865829 1 1 1 1 1 1 1 1 1 1 1462 1 1 1 1 1 1 1 1 5019 1 3620 1 4101 1 1 1 1 1 1546 6582 1 1 1 3772 1 1 1 1 1 1 6128 1 2920 1 1 9204 2918 1 2414 1 1 1 3124 1 3040 3808 7220 1 1 1 1 1 1 1 1 1 1 1 1 4003 1 3320 1 1 1 1 1 5675 1 1 1 1 1 5863 1 3220 5590 3600 1 278.0785 *278.0794* 278.0794@1.1493502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10855 1 1 1 1 10633 2312 1 1 5856 5920 1 2051 1 4770 1 1 1 1 15082 1 1 1 5801 1 1 26690 12790 18861 6284 10002 1 1 1 16911 8082 3939 1 1 1 1 10022 1 11310 1 14959 1 1 1 10198 11899 1 2202 1 1 1 1 1 16623 13072 1 1 1 10203 1 14308 1 1 1 1 1 1 1 278.0794 *278.0794* 278.0794@1.418962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0794 *278.0797* C7 H14 N6 O4 S 87578 101049 263115 109870 287921 116829 377009 369360 118812 96713 63711 102660 113439 104327 99620 99353 102620 95103 122467 131231 268373 137118 271121 123773 131521 125235 130365 149586 281997 132130 85204 83796 82316 91260 92153 87348 83177 78459 85678 91087 127189 128256 79173 74108 110349 122751 110366 112121 103074 101643 95899 82289 105565 100314 77952 84354 87206 83271 112136 114220 78186 70176 61525 59804 63937 67578 65538 69695 120310 119629 84933 78857 84218 80641 97508 94887 89375 87967 88893 94459 93457 106300 83489 75964 96829 98299 110196 103435 72561 84249 278.0797 *278.1041* 278.1041@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1041 *278.1484* 278.1484@8.118448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3242 2584 1 1 4454 5345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1484 *278.1864* 278.1864@11.976523 1 1 1 1 1 4598 1 1 1 1 1 1 1 1 17219 1 1 1 1 1 3637 15883 1 1 1 1 16633 1 1 5872 1 1 1 1 1 1 1 1 1 1 4772 8553 1 1 24522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15382 1 1 1 1 1 1 1 1 1 1 4040 26354 1 1 1 1 1 1 1 1 1 1 1 20932 1 278.1864 *278.1867* Panaxytriol 5938 1 4717 3823 1 1 4012 5372 1 1 5197 5037 4732 1 1 5246 1 5045 1 1 1 1 3422 1 1 6384 1 1 1 1832 1 1 3687 1 5349 6199 1 5655 1 1 1 1 7449 5922 1 1 6041 5376 6344 7081 7242 6001 5049 4934 7052 1 1 4155 4794 5358 1 1 3614 1 5402 4973 3456 5581 1 7510 3465 5859 1 8000 5480 6251 1 4676 3624 4759 6185 4522 6168 5721 5415 6020 5780 5722 7127 7460 278.1867 *278.1869* Panaxytriol - 11.995774 14688 18835 14629 14326 19634 15302 12641 12744 20099 19355 14587 15781 9842 14915 1 11737 15316 14687 13066 13712 11567 1 16180 21008 21126 15288 1 15535 15504 5471 22517 21369 17737 22893 22295 22427 23918 18630 18272 15398 20024 18897 23653 26823 1 27704 23606 16072 24995 23044 21915 22765 15183 14982 23718 28444 19693 17397 17953 19110 28486 28981 17263 30604 1 16518 15450 15976 30038 23710 18549 16440 23723 22169 17282 15946 1 17208 17638 16994 20504 23362 24258 23118 18713 18144 18212 19061 1 21162 278.1869 *278.2223* 278.2223@12.885592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4246 1 1 1 4079 3060 1 1 1 1 1 3815 1 9222 4368 1 1 1 1 9789 15097 15167 1 1 1 1 1 1 8701 1 1 1 1 1 1 1 2700 1 8844 1 1 6096 1 1 1 2341 7034 1 3789 1 1 4005 1 1 1 1 1 4157 1 1 4949 1 4141 4220 1 1 1 1 1 1 1 1 278.2223 *278.2232* 278.2232@12.887762 1 1 1 1 4124 5047 1 1 1 1 1 1 2613 2944 1 1 1 1 1 3590 5423 5786 1 1 1 1 1 1 4420 1461 9773 1 1 4788 1 1 9420 1 1 1 1 1 7792 8627 6495 6722 1 8804 1 1 23614 23542 1 1 1 1 1 8450 6887 1 1 1 1 1 1 6031 1 3716 3835 1 1 1 1 3081 3144 1 6202 6380 1 5233 1 1 1 1 10094 10321 1 1 21975 19899 278.2232 *278.2233* 9,12,14-octadecatrienoic acid 16495 17733 10507 9997 23480 23642 15793 16424 5116 5536 9554 9804 19085 19465 4371 3644 8520 8089 23095 22889 35399 34814 21067 20592 6516 6063 7777 7914 37726 38739 40794 41860 22606 23148 6982 7058 53337 53010 125774 129135 17743 18138 27065 24943 35074 34447 61037 63464 22705 22236 66011 63842 14394 14589 18617 17884 38147 39116 40843 41018 14862 14613 2436 1 25417 25654 27364 26079 16631 15518 23520 24362 13805 14490 25808 26917 26209 25671 32632 32070 22424 22684 15298 15630 65680 66137 4060 3874 117450 115215 278.2233 *279.0767* 279.0767@0.9310531 1 1 1 1 1 1 1 1 1 1 3605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.0767 *279.0821* 279.0821@0.9134808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 1 279.0821 *279.0851* 279.0851@0.9633301 1 1 1 1 9664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3849 1 1 1 1 1 1 1 1 1 1 1 1 1 5426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.0851 *279.0901* 279.0901@0.9469599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7021 1 279.0901 *279.1314* 279.1314@1.2747978 1 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 3620 1878 1975 9743 10662 2090 1 5684 5721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5239 5182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3061 3385 279.1314 *279.836* C7 H Cl S5 1 1 1 1 1 1 1 1 21246 1 1 1 21265 1 21539 1 22363 1 21653 1 21000 20903 20837 20885 21071 22037 1 1 20210 1 19347 1 1 1 1 1 1 1 1 19511 1 21155 20441 20477 23238 22187 1 1 22714 22118 21703 25064 1 1 1 1 1 21117 1 1 18298 1 21775 1 21497 20370 1 22744 1 1 1 1 21559 1 1 22681 1 23258 1 21808 23765 24259 1 21072 23996 21050 1 20671 22444 1 279.836 *279.9171* 279.9171@0.79354453 1 1 1 1 1 1 2569 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.9171 *280.0248* 280.0248@4.522994 1 1 1 1 1 1 5386 5719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0248 *280.031* 280.031@4.938554 7291 7576 1 1 1 1 1 1 1 1 7291 7156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11277 11326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2767 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8137 7940 1 1 280.031 *280.0418* C14 H8 N4 O S 5278 5087 3206 2968 3245 2574 4152 3674 2195 2270 2499 2727 2565 3467 2747 2576 2734 2848 4195 3709 4238 5466 2628 3184 6034 5692 2880 4090 5367 4723 2738 2129 5187 6586 1 4491 4337 4149 3510 3626 4797 4844 2951 3424 3901 4537 2896 3857 3240 3132 3484 3430 7692 6302 5254 5612 3324 3624 3778 3796 3186 3211 3055 2368 3337 3208 3437 3010 3341 2978 1 2768 3086 4280 2841 2205 2588 3083 5071 4591 3881 3781 3795 3378 4295 4502 3443 3285 6473 7100 280.0418 *280.0463* C10 H17 Cl N2 O S2 - 1.9352114 6387 1 8464 1 9279 1 4510 8635 1 1 2599 9920 1 11282 4526 2772 1 1 12531 1 8675 11744 9985 4031 9505 10649 14108 13147 7295 2184 5857 5625 1 5863 1 1 1 20709 1 1 1 6470 9503 7515 7775 1 4708 1 1 8079 10446 1 9779 11230 1 17782 15791 1 9545 1 5122 1 5649 6619 1 8840 7527 1 1 15684 8058 1 11124 1 20756 21519 12269 1 1 23377 10065 1 1 3489 21177 10371 1 1 3400 3301 280.0463 *280.0464* C10 H17 Cl N2 O S2 2463 10009 1 5050 1 9540 4795 1 3441 4932 2888 1 6142 1 5496 6393 1 5946 1 10925 4031 1 1 4252 1 1 1 1 1 4262 5968 1 10029 8784 11249 12225 14496 1 23152 24499 14483 1 13381 23185 12057 13494 1 14099 14320 8840 8627 14279 7056 6532 23747 10773 8866 24627 14542 18588 1 10998 8327 9142 16113 9241 7845 21297 19731 1 16521 26563 6194 22686 1 1 13317 32572 21183 1 17995 25303 35159 11419 1 16937 19208 23498 3642 7576 280.0464 *280.0464* 280.0464@1.9358532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11989 280.0464 *280.0551* 280.0551@4.9559674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2527 2596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0551 *280.0561* 280.0561@5.424897 6717 6046 1 1 1 1 1 1 1 1 1 6154 1 1 1 1 1 1 1 3715 4549 5010 1 1 1 1 1 1 1 1 1 1 1 1 7974 7946 1 1 1 1 1 1 1 1 3139 2955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 1 1 1 3112 1 1 1 1 1 2235 2037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0561 *280.066* 280.066@0.91431975 1 1 1 1 1 1 1 3947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7417 1 1 1 1 1 1 1 2718 1 1 1 1 1 1 1 1 1 1 1 3469 4185 1 1 13569 13165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 4399 1 1 1 1 1 280.066 *280.0703* 280.0703@0.9448886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4482 1 1 280.0703 *280.0747* 280.0747@0.942296 1 1 1 1 1 1 1 1 1 1 7116 6778 1 1 1 1 1 1 5795 7772 1 1 1 1 1 1 1 1 1 2831 1 1 1 1 1 5441 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 2811 1 1 1 1 1 1 1 1 1 1 1 3986 4760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0747 *280.0748* 280.0748@3.6845095 1 1 1 1 1 1 1 1 1 1 1 2741 1 1 1 1 1 1 1 2461 1 1 1 2112 1 2430 2633 2767 2976 2993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 2171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1911 2275 2314 2662 1 1 1 1 2775 2985 1 1 280.0748 *280.0803* 280.0803@0.9430303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0803 *280.0818* 280.0818@0.94482255 10474 1 1 3133 9607 10003 13471 13000 1 5989 1 1 6152 8420 1 1 1 5999 1 1 9369 1 7280 6399 1 7506 1 1 5600 5051 8580 10822 4720 1 1 1 1 1 1 1 1 1 3444 4771 7441 1 1 1 5389 1 1 21606 1 1 1 1 1 1 5355 3740 1 4394 1 1 4332 4224 1 1 1 1 1 6427 1 1 1 1 1 1 1 1 5964 1 1 3569 1 7119 1 1 6342 1 280.0818 *280.0927* 280.0927@0.9472578 1 1 8602 8971 1 1 1 1 1 1 1 1 1 1 9657 9345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 6411 6378 1 1 1 1 1 1 1 1 4845 4973 1 1 12421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12987 18457 280.0927 *280.129* 280.129@6.7245975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9709 11465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.129 *280.1304* 280.1304@6.570741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2925 2719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1304 *280.1316* 280.1316@8.286884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4698717 4687440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1316 *280.165* 280.165@10.655793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2523 2664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.165 *280.239* 280.239@13.543304 1 1 1 1 1 8872 1 9588 1 76146 2105 1 1 1 1 92793 1 123861 4270 5688 1 1 1 5461 100443 1 1 1 12185 3332 1 1 69580 1 1 1 1 1 5478 1 1 1 1 17366 1 1 1 1 2798 1 47963 1 1 1 1 1 1 17021 1 1 1 1 50223 47466 1 8911 1 1 1 1 1 1 1 1 1 6777 1 1 1 1 1 9149 1 1 1 1 63047 62968 1 294275 280.239 *280.2396* 13E,17-octadecadienoic acid 290451 286637 215558 207997 543506 530426 262649 279707 82416 1 224536 221724 301058 315739 91147 1 129513 1 372351 363776 661289 676311 245921 250986 1 83649 190358 182290 652874 420909 816902 827381 515617 562459 105639 103500 1093806 1082616 1656611 1719206 281664 284411 448754 436763 773246 797764 717876 740795 211329 209845 1559032 1550502 247819 241623 284204 289057 814200 818862 727463 724904 215076 203078 1 1 437098 430722 335725 341010 279651 271303 340742 339661 357624 349337 396211 399363 428325 425411 765165 762481 341341 328369 263427 257627 1000392 1008307 1 1 2595572 2373485 280.2396 *280.2396* 280.2396@13.508994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.2396 *280.7992* 280.7992@8.287302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.7992 *280.8244* 280.8244@13.475433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1516 1 280.8244 *280.827* 280.827@8.314265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.827 *280.8884* 280.8884@8.290298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.8884 *280.9014* 280.9014@13.458591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3415 1 280.9014 *280.9248* 280.9248@13.470211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4277 280.9248 *280.9634* 280.9634@13.462323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.9634 *280.9734* 280.9734@8.285305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.9734 *280.9791* 280.9791@13.463586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 1 280.9791 *281.0018* 281.0018@8.306276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.0018 *281.05* 281.05@3.3032255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.05 *281.0752* 281.0752@13.462768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3608 1 281.0752 *281.0862* 281.0862@13.459317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.0862 *281.1329* 281.1329@8.403334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1329 *281.2419* 281.2419@13.588617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3260 1 1 1 1 1 1 1 1 1 1 281.2419 *281.8338* C3 H Cl3 N2 O S3 8685 11274 13678 14344 13452 9735 13982 11002 10446 14272 7631 7219 14149 13406 14097 10211 15759 11277 11384 10823 13371 13051 13310 10046 15907 10329 13928 9985 13411 13136 13303 12748 13935 14166 13228 12394 13964 13321 12397 13437 10388 10396 9885 13303 14743 14082 14102 14090 11296 11423 10522 13808 15811 11160 13874 14901 14121 13297 10068 12774 13371 13121 12722 13186 13968 10035 17040 14571 12532 15760 12929 10015 14451 14382 13246 11180 14177 15049 16067 14643 15882 11729 14089 13071 12767 14224 13547 10565 14387 13429 281.8338 *281.8668* 281.8668@8.288301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.8668 *281.9434* 281.9434@8.28347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.9434 *281.9587* 281.9587@8.287302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.9587 *281.9842* 281.9842@9.422863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2212 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.9842 *282.032* 282.032@2.9088335 2237 2294 1 1 2080 1 1 1 1 1 1 1 3841 4156 1 1 2626 2568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3866 3616 1 1 1 1 1 1 1 1 1 1 1 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3886 3768 282.032 *282.0436* 282.0436@1.9334764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8013 7160 4331 1 1 1 1 282.0436 *282.0797* C19 H10 N2 O 2711 3364 2572 2883 2746 2399 2112 2342 2994 2804 3060 3292 2813 2979 3105 2671 2864 1 2874 2321 2504 2615 2143 2355 2434 2378 2706 2913 1 1 1 2731 1 1 2226 2216 2983 1 2088 1 2109 1 3655 3246 2547 1 2243 2399 1 1 2286 1 1 2577 1 2877 2693 2644 2689 1 2808 2922 1994 1 3351 3054 2800 2807 3136 2789 2809 3646 3151 2863 1 2975 3568 3237 2554 2488 2703 2808 2937 3215 2640 2817 1 1 1 1 282.0797 *282.0868* 282.0868@0.99203634 1 1 1 1 1 1 1 4742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.0868 *282.0982* 282.0982@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.0982 *282.1064* C9 H18 N2 O8 10055 9935 5845 6216 9075 9352 5465 5451 7656 8412 9489 9409 10315 10239 9254 9142 9072 9107 18053 18231 16699 17431 12824 13313 16258 16522 14212 13880 15519 15389 15862 16203 12169 11356 4762 5372 19866 20639 15211 15455 12857 13376 22328 23202 10838 10661 19629 19487 15336 15088 20587 20823 18814 19976 23349 23437 20283 20431 24063 23470 27349 27513 17440 17351 15856 15238 28636 28705 26488 25473 22845 22323 24931 24743 28666 29805 30334 31449 29641 28845 30137 29569 28177 29500 18152 17162 11007 11095 28351 29391 282.1064 *282.1064* C10 H22 N2 O3 S2 9884 10391 6782 6806 7956 7558 3088 2524 7697 7892 10681 10221 10957 11317 6462 6727 7012 6102 19643 19999 15401 15548 10572 10849 14051 13233 8876 8552 8699 8130 10444 10206 4970 4465 2948 3074 7148 6421 12264 12945 6639 6329 13741 14454 8110 8218 9687 10169 10401 11101 7368 7111 7785 8533 11618 12435 18425 20077 19509 19582 10430 10662 10985 10605 10861 10955 13737 13110 22137 22017 17642 17824 14653 14850 22767 22192 23669 24680 20022 20325 11410 11766 24851 25952 9935 9786 4469 4119 15945 17892 282.1064 *282.1451* 282.1451@6.02985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3638 3188 1 1 1 1 1 1 1 1 2923 4629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1451 *282.1453* 282.1453@7.972767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10404 10468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1453 *282.1821* 282.1821@7.785988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1821 *282.2542* 282.2542@14.301764 1 1 1 1 1 1 1 10339 91973 1 3260 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 3081 1 1 1 6290 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2542 *282.2557* 5-octadecylenic acid 300643 305202 289298 279055 706405 706608 366209 380276 1 90361 277751 281192 350815 348294 135499 135920 119394 120641 484835 486704 800855 797996 195812 191185 89471 83489 173994 166787 842437 790621 1665613 1676000 827225 824807 86878 87540 1099452 1097994 2360888 2295842 223017 231013 713690 722724 917940 913224 868629 875959 115791 118794 2215803 2215574 239243 240535 238662 247062 928467 931913 830925 818576 91868 92530 1 42903 541044 538492 279205 272583 346066 346929 374781 374060 390411 382819 303412 308807 470389 457885 1025865 1016978 328365 322486 287738 284029 752778 749618 51191 54012 3319902 3197222 282.2557 *282.2746* 282.2746@8.2863035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.2746 *282.3202* 282.3202@8.285467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.3202 *282.3342* 282.3342@8.291296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.3342 *282.8136* 282.8136@14.237786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.8136 *282.8272* 282.8272@14.225931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.8272 *282.846* 282.846@14.233459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6642 282.846 *282.8567* 282.8567@14.222606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4306 1 282.8567 *282.8666* 282.8666@14.224914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.8666 *282.8707* 282.8707@14.2212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 2584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.8707 *282.8801* 282.8801@14.239797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.8801 *282.895* 282.895@14.20463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 282.895 *282.9196* 282.9196@14.215894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.9196 *282.9371* 282.9371@14.219475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.9371 *282.9606* 282.9606@14.218611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4929 1 282.9606 *282.9985* 282.9985@14.23604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1098 282.9985 *283.0045* 283.0045@14.23477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0045 *283.0404* 283.0404@14.217366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2867 1 1 1 1 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1313 283.0404 *283.0759* 283.0759@14.237786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0759 *283.0871* 283.0871@14.217612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3618 1 283.0871 *283.0954* 283.0954@14.231456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2875 283.0954 *283.1072* 283.1072@13.477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1072 *283.1107* C19 H13 N3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 2906 1 1 1 1 1 1 1 1 1 1 1 1 2613 1 2491 2620 1 3003 1 2996 3146 2895 3057 1 1 1 1 1 1284 1 2745 3283 3235 3193 3084 2608 3140 1 1 2730 2732 3673 4178 3358 3324 3802 4278 4551 3898 3677 1 3872 4161 3905 1595 3497 3474 3077 3399 1 3114 3236 3270 3453 3496 3606 3239 1 1 283.1107 *283.1118* 283.1118@3.1659749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4665 1 1 1396 1 1365 1 1 1 1 2689 1 1 1 1 1 1 1407 1 1 2290 1 1 1876 1894 1453 1735 1 1 1653 1718 1 3865 1585 1 1 3516 1683 1 1 1 3913 1 1252 1 1 1 1437 1341 1 1 283.1118 *283.2575* 283.2575@14.309451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.2575 *283.7935* 283.7935@0.85405165 1 1 1 1 1 1 1 4404 1 1 1 1 1 1 1 1 1 1 1 1 1 3621 1 1 1 1 1 1 1 1 1 1 1 1 4745 1 1 1 1 1 5010 1 4485 1 5072 1 1 1 1 1 1 1 1 1 1 4479 1 1 1 1 1 1 1 1 1 5241 1 1 1 1 1 1 1 4923 1 1 1 1 1 1 1 1 4757 4950 5220 1 1 6300 1 1 283.7935 *283.7945* 283.7945@0.8528684 5153 1 3929 1 4320 6602 1 1 1 4794 1 1 4632 1 1 4677 1 1 1 1 3906 1 4468 4082 1 5541 4702 1 4680 4097 1 1 4478 1 1 1 3870 1 1 1 1 4384 1 1 1 4898 4665 1 4249 1 1 1 1 1 4610 1 1 1 1 4523 1 1 1 1 5107 1 1 1 5096 1 1 1 5777 1 1 4822 4301 1 1 1 1 5286 1 1 1 4653 5290 1 4786 4097 283.7945 *283.8025* 283.8025@14.227449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 283.8025 *283.8187* 283.8187@0.83468086 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.8187 *283.8268* 283.8268@0.8399789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.8268 *284.0313* 284.0313@8.019692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6494 6669 284.0313 *284.0341* 284.0341@7.053613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6172 5573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0341 *284.0348* 284.0348@5.0099945 1 1 1 1 1 1 1 2274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3453 3823 1 1 1 1 284.0348 *284.0393* 284.0393@0.885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0393 *284.0793* 284.0793@0.96306235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.0793 *284.0858* 284.0858@3.2426605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6186 6387 284.0858 *284.0882* C13 H16 O7 1 1 1 1 2629 2959 5284 5451 4155 3715 2430 2605 7046 6999 5177 5289 2899 3006 2623 2772 3524 3065 2304 2122 9696 10255 8630 8608 1 1 1 1 7092 6893 1 1 3649 3932 1 1 1 1 4298 4833 11132 10818 1 1 1 1 7256 7583 1 1 1 1 4737 4225 1 1 1 1 1 1 7604 7709 8442 8546 1 1953 4601 5229 1 1 1 1 4894 5052 1 1 3096 3362 1 1 1 1 9307 9187 1 1 284.0882 *284.1246* 284.1246@6.120776 1 1 1 1 1 1 3201 3823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1246 *284.1689* 284.1689@2.2735512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1689 *284.1696* C9 H24 N4 O6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4380 4656 3587 3368 1 1 1 1 1 1 1 1 5566 6497 1 1 1 1 10076 10129 1 1 4068 4221 5511 6187 1 1 4084 4305 5671 5745 6940 6571 5461 5374 5542 14625 1 1 7844 7831 5797 5687 6881 6267 4792 5278 6771 6870 6824 7346 14098 13829 7380 7978 6660 7538 10958 10902 4077 4149 5040 5560 1 1 284.1696 *284.198* 284.198@9.594228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7982 8813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.198 *284.2691* 284.2691@13.477843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2691 *284.2694* 284.2694@13.418064 1 1 1 1 1 1 1 1 5870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4532 1 3634 1 1 1 1 1 1 3991 1 1 1 1 1 1 1 2336 1 1 1 4609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2694 *284.2695* 284.2695@14.657705 6873 1 2115 1 1 9755 16734 1 6618 1 1 4198 8749 1 4064 1 1 1 13730 15398 9097 10422 1 1 1 1 1 1 9375 1 1 28043 20932 1 1 1 1 1 36866 35500 1 1 1 7327 1 1 24543 21015 1 1 1 42418 1 1 1 1 31890 30515 15362 16708 1 12840 1 1 1 1 1 1 1 1 3384 1 1 1 1 1 1 1 10884 32352 1 1 1 1 25050 26285 1 1 32351 38160 284.2695 *284.2696* Stearic acid 4280 1 4590 4344 1 3673 4877 7275 5410 8322 6111 4351 4354 4429 5335 5996 4463 5839 5235 4339 4732 5179 5325 1 5323 4553 3851 7343 5404 4243 28474 6101 4690 5071 1 1 18760 27326 8809 8081 5152 4573 6830 5583 27462 9288 4636 4575 1 4156 31186 5860 3650 1 6133 1 4360 4950 5204 3019 1 3787 1 5371 28562 28766 6992 1 19780 5938 6099 11476 21107 9549 8650 3878 19716 8935 3692 4038 13522 8567 4730 6947 3165 3655 1 1 5216 3704 HMDB00827 C01530 284.2696 *284.2696* 284.2696@13.569096 1 1 1 3030 1 1 3730 1 3236 1 1 1 1 1 1 3208 5718 1 3221 1 1 1 1 1 1 1 1 1 3012 1 6251 1 7151 1 1 1 1 1 4989 5367 1 1 1 4403 1 4994 1 3818 1 1 5389 5534 1 1 1 1 1 4732 1 1 1 1 1 1 3964 3367 1 1 1 1 1 1 3495 1 4390 1 1 1 3788 1 1 1 2996 1 1 1 1 1 5567 5150 284.2696 *284.27* 284.27@11.272771 1 1 1 22058 1 1 21709 1 1 1 1 1 25631 1 1 14497 1 1 27428 1 1 1 1 31661 1 1 1 1 1 6919 1 1 1 1 1 1 5088 1 1 36544 1 1 1 1 1 1 1 49865 1 1 1 1 61103 1 1 1 35785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.27 *284.27* 284.27@11.177617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.27 *284.9626* 284.9626@3.54665 3181 2908 1 1 1 1 1 1 1 1 2141 1 1 1 1 1 1 1 1 1 3404 3831 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 2802 3113 1 1 1 1 1 1 1 1 1 1 1 1 3863 3459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 2725 9191 9638 1 1 1 1 284.9626 *284.9905* 284.9905@5.366318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.9905 *285.0218* 285.0218@4.9350495 1 1 1 1 1 1 1 1 1 1 13121 13990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0218 *285.0452* 285.0452@0.896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0452 *285.0951* 285.0951@3.1777294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1761 2196 2155 1377 1717 1911 1 1 1 1239 1 1758 1751 1 1858 1 1 1 1 2888 2431 2399 2819 1730 1 1 2101 1 1 2634 1 1 1 2354 1 1806 2088 1834 1838 2633 2483 1 1 1 1840 2053 1 5925 6394 3043 1 2507 1 3612 3231 1 1 1 1 285.0951 *285.1028* 285.1028@0.8658108 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1140 1 1 1 1 1 1311 2455 1433 1147 1 1 1938 2518 1 1435 1 1 1 1923 1854 1 1 1 1579 1701 1 1198 1 1 1 1461 1 1 1315 1640 1 1 1 1 1 2155 1 1522 1600 1 1 1603 1 1 1908 1384 1 2516 2266 1 1567 1523 1488 2032 1792 1 1 1739 1 1361 1467 1 1 1444 1594 1989 1 285.1028 *285.2728* 285.2728@11.240458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.2728 *285.9266* 285.9266@0.8043512 1 1 1 1 1 1 6181 1500 6603 1 1 1 1 1 6459 1 1 6317 1 1 1 1 1 1 4572 1 1 1 1 1 1 1 1 1 5184 1 1 1 1 1 1 1 1 1 1 1 1 1 8951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.9266 *285.99* 285.99@4.7987127 1 1 1 1 1 1 4054 3786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2618 2405 1 1 1 1 2235 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 2302 3675 2969 1 1 285.99 *286.011* C15 H10 O2 S2 1 1 1 1 1 4990 1 2156 1 1 1 1 3088 3241 2671 2678 3597 4226 4734 5017 4764 1 3478 2780 1 1 7540 8398 1 2974 1 7005 8543 1 1 10128 3839 3642 3246 3033 11446 1 1 1 1 9397 9792 1 6495 6789 1 1 1 11144 1 1 1 8559 1 1 2419 10845 13688 1 11727 11086 1 13199 6795 6500 6550 5719 7666 6950 9360 1 7691 7739 1 11135 12698 1 8649 9146 1 12002 1 2466 11339 11494 286.011 *286.0113* C7 H6 N6 O5 S 1 1 5783 5054 4830 1 3524 1 1 1 1 2406 1 1 1 1 1 1 1 1 1 4798 1 1 1 1 1 1 7210 4484 7877 1 1 8653 10289 1 5772 5707 1 1 1 12497 9957 11039 9646 1 1 10279 1 1 8251 8457 10741 1 11676 11147 7757 1 9922 10043 10432 1 1 13663 1 1 12864 1 1 1 1 1 1 1 1 10129 1 1 11410 1 1 12682 1 1 12776 1 18511 16092 1 1 286.0113 *286.0449* 286.0449@0.89851004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5066 4936 4953 1 1 1 1 4732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0449 *286.0466* 286.0466@0.8999334 1 1 1 1 1 1 1 1 1 1 1 1 3193 3024 4897 5082 1 1 1 1 4529 4406 1 1 1 5115 4414 4495 5750 3359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0466 *286.0489* 286.0489@7.547282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3085 4698 286.0489 *286.0938* 286.0938@5.140063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8744 8454 1 1 1 1 286.0938 *286.0969* 286.0969@13.475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0969 *286.2124* 286.2124@10.105267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 2209 1 1 1 1 1 1 1 1 4065 3228 3049 4047 1 1 1 1 5382 5306 1 1 1 1 1 1 1 1 1 1 2531 2509 1 1 1 1 1 1 2001 1 1 1 2311 2372 25159 25457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4310 4293 286.2124 *287.8675* C3 H3 Cl3 O7 S 20169 1 56260 48025 22323 21623 1 1 21452 22206 18261 17858 1 22898 45905 22893 47820 24224 1 1 1 21845 23578 46783 24288 24198 1 55300 23194 44457 1 22446 1 1 21988 21216 23383 54126 42134 1 22608 1 23235 23335 1 23436 22492 1 24440 1 23161 23900 1 23984 1 25134 1 52695 1 23622 21176 20945 20520 20114 1 22121 25231 50659 1 1 1 1 1 1 1 24577 1 25252 1 23707 25699 25012 22536 23239 46083 1 22015 22241 24472 23334 287.8675 *287.8676* 287.8676@0.8435243 1 20109 1 1 1 1 46676 46971 1 1 1 1 22927 1 1 1 1 1 56853 24669 22918 1 1 1 1 1 53972 1 1 8573 22048 1 52061 22369 1 1 1 1 1 21026 1 23340 1 1 49666 1 1 21609 1 47409 1 1 24371 1 48710 1 22155 1 22988 1 1 1 1 1 22481 1 1 1 26629 25630 22263 52508 49073 47816 24540 1 25429 1 24525 1 1 1 1 1 1 55431 1 1 1 1 287.8676 *287.9761* C13 H5 Cl N2 O2 S 1 1 2993 2792 2663 1 3468 3633 2505 1 1 1822 2521 2511 2882 2805 2686 2487 2452 1 2174 1 2765 2953 2715 2703 2933 1 3023 3303 1 1 2600 2651 3320 3256 3555 3200 3892 3462 3311 3337 3327 3254 3140 3100 3324 3408 3108 4273 2798 3139 3485 3039 2824 2723 2912 3251 3345 3072 3160 3480 2942 1 1 1 3201 3594 3216 3086 3124 3077 3416 3263 3554 3132 2945 3088 3336 2743 3579 3261 2402 3638 3076 3215 3870 3872 3335 3156 287.9761 *288.0286* 288.0286@4.3583755 3724 3727 3908 3356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15412 14523 1 1 1 1 1 1 2527 2565 1 1 7371 6953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 1 1 3253 3443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8794 8395 1 1 1 1 1 1 1 1 288.0286 *288.0512* 288.0512@8.392124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4154 5716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8387 8687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9913 9387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0512 *288.0601* 288.0601@0.917936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 1 288.0601 *288.0623* 288.0623@1.123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0623 *288.0641* 288.0641@1.6221408 1 1 3422 4950 4573 5292 6781 7805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 4571 1 1 1 3524 5418 4853 1 1 1 1 1 3366 1 1 1 1 3135 5921 1 1 1 1 6356 7232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3733 4514 4272 3954 1 4690 4332 3741 1 1 288.0641 *288.0644* 288.0644@1.7475145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4543 4348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0644 *288.0907* 288.0907@3.4677913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8142 8475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0907 *289.0471* C11 H16 Cl N3 S2 - 1.3037964 7769 1 8123 15966 11088 10850 9941 9907 1 16055 6782 10335 1 1 1 1 1 1 10432 12066 7928 15899 1 1 6971 6928 1 12059 1 6246 1 1 8718 8304 1 5912 1 7901 7379 1 4736 6552 5909 1 5781 1 7434 5600 8398 9181 9712 9626 1 3847 5312 5331 8344 7485 1 8404 1 10617 1 9767 9718 8691 7039 6997 7037 6352 11676 11559 9418 9558 17720 12399 15415 14804 8686 9787 1 10474 7880 7964 9086 9540 11030 11249 9996 1 289.0471 *289.0474* C11 H16 Cl N3 S2 5173 12656 7563 1 8756 8421 4458 4431 15712 1 7292 6211 12674 12831 19256 20376 15705 12830 7467 7056 6874 1 7987 15064 5506 6250 12230 1 17067 8854 21566 20551 1 5082 5138 4229 3521 3850 5929 12314 1 4837 5222 9397 4827 4843 1 6096 6286 5963 5517 5161 3893 3426 3478 3653 2810 1 10741 4846 5595 5569 4327 4062 4640 4591 3713 3985 4167 3857 5940 5001 3486 3978 1 5112 6910 6499 2644 2733 4260 4704 2719 2651 2849 2962 4408 4438 5211 5658 289.0474 *289.0628* 289.0628@0.92276543 1 1 1 1 1 1 1 1 3459 3591 1 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3548 1 1 1 1 1 1 1 1 1 1 1 3244 4701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2906 1 1 1 1 1 1 2606 2247 1 1 1 1 1 1 289.0628 *289.0662* C8 H11 N5 O7 7630 8383 16224 17509 8455 9012 6353 6266 14252 14238 15425 15966 11348 11240 19966 20700 11613 10801 19040 19402 15432 14866 20624 21956 19641 18865 20047 20540 19266 18073 19083 19191 8846 9410 11782 12250 19638 18198 16520 16508 19467 19169 26217 27332 17720 17187 23995 24954 27928 27979 18474 18296 24553 23234 27776 27834 18448 18466 20298 20692 22235 24437 14105 13604 12034 12587 17378 17186 20752 20831 21953 23363 22000 20415 20392 20327 21926 21237 18262 19359 20306 20228 22493 22498 16137 16471 20449 21042 15074 15297 289.0662 *289.0832* 289.0832@0.9384513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5859 5178 1 1 1 1 289.0832 *289.864* 289.864@0.85604703 1 1 1 1 1 1 1 1 1 1 8482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.864 *289.8647* C8 H2 O2 S5 23954 18917 1 1 22370 21090 1 1 20424 21467 8679 16798 23072 22923 1 29800 1 31870 1 22789 29762 21376 22127 1 22604 32483 1 1 22515 1 20800 28681 1 23788 20338 20134 30844 1 1 20730 21891 21980 21776 21789 1 23589 21728 21514 33375 1 22943 31006 23191 22723 1 32891 22304 1 29307 21979 19298 20152 24194 19024 22469 21361 23704 1 24601 25302 21839 1 1 1 23858 23142 33365 23951 30384 22264 23856 25072 30542 22757 1 1 21421 21220 32459 31699 289.8647 *289.9433* C7 H6 N4 O S4 119096 120373 141711 143568 148039 146509 156208 156188 151614 158130 141366 132841 150042 154448 161338 161199 152620 153664 163049 158773 137356 132849 159620 161153 147594 146278 155593 153346 149543 146354 156805 160289 160881 164287 159676 160258 155744 154194 175435 173414 163468 163176 163920 162252 158775 159088 178305 178553 174227 172166 168151 168935 166048 166486 166840 167484 185909 185352 167526 168564 148893 152987 147936 146869 163433 161073 173192 177453 173312 176599 169074 173230 170253 172837 179026 181711 170397 169793 175445 172369 179484 177047 163386 160915 177120 171011 186641 186537 169063 166266 289.9433 *289.9706* 289.9706@1.2844045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 2371 1 1 1 1 289.9706 *289.9986* 289.9986@3.66979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.9986 *290.0004* 290.0004@4.411517 1 1 1 1 1 3116 11082 10636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4107 4394 1 1 1 1 1 1 1 1 4620 3901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0004 *290.0431* 290.0431@1.3774767 1 1 1 1 1 1 1 1 1 1 7590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5768 1 1 1 1 1 1 17727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0431 *290.0439* C14 H10 O7 33867 32346 33885 1 47137 47051 42600 40094 40915 46995 29369 49607 1 1 1 1 1 1 51564 45548 42333 40940 37396 34824 35405 33237 1 1 36757 30035 50551 1 40963 35805 27713 23999 36001 36674 32412 32457 25224 26806 23356 24351 29290 27073 31672 27698 39692 38332 43413 44821 20027 20700 21991 16766 32361 31745 26503 39408 53290 52639 27177 45537 40969 41200 30253 33904 33164 30881 45071 51199 42161 41723 77751 49964 66417 67238 39826 38490 46823 45725 33750 34908 38703 40892 45310 49571 48338 45228 290.0439 *290.0441* C15 H6 N4 O3 23086 23189 29716 71953 44169 40556 19353 23473 30686 30499 25700 25954 53246 56994 104193 108942 74105 62963 26335 37206 35395 36330 40164 34904 28314 30001 50297 58651 36257 43434 46681 101995 21588 22490 16523 22248 18055 18547 27030 25007 23991 22334 26899 26148 21671 21174 24050 24897 28849 25974 24120 23188 21176 19346 19581 19547 16575 15874 21532 16595 24525 21565 20790 18854 19735 21399 17008 16467 17596 17703 31207 24090 16836 17851 1 20541 31793 30323 11779 14461 20520 21283 13956 12324 14138 13596 23662 20695 25497 24329 290.0441 *290.0469* 290.0469@1.0327266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12223 1 1 1 1 1 1 2678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0469 *290.0476* 290.0476@1.0297552 1 1 1 1 4968 1 1 1 1 1 3525 1 1 1 1 1 1 1 1 13925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7942 1 1 1 1 290.0476 *290.0784* 290.0784@0.92305243 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0784 *290.0793* 290.0793@0.9377861 1 1 1 1 1 1 5982 18712 3801 1 3123 5137 1 1 1 1 1 1 1 1 1 1 4648 4814 1 1 1 1 1 3397 1 1 1 1 1 1 1 1 1 1 1536 4080 1 1 1 1 5553 4931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4124 3739 1 4010 1 1 1 1 1 1 1 1 4533 4944 1 1 6192 7139 4923 1 1 1 290.0793 *290.0871* 290.0871@0.7847797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0871 *290.1716* 290.1716@7.8098855 1 1 1 1 1 1 1 1 1 1 5615 5461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68515 69626 1 1 1 1 3825 3349 7882 7202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17432 17693 61090 61881 1 1 1 1 41433 39856 1 1 4710 4862 1 1 1 1 1 1 1 1 1 1 1 1 290.1716 *291.0477* 291.0477@1.2698177 1 1 6819 1 1 1 1 1 6780 1 1463 1 1 1 1 1 1 3045 1 1 1 1 1 6699 1 1 1 1 7326 1 9379 1 1 1 4621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.0477 *291.0704* N4-Acetylsulfapyridine 1 1 1 10320 10227 1 8844 8732 1 4953 9556 11268 9498 12015 7348 1 7448 7943 10413 10060 5327 1 1 5368 7422 8063 6711 5811 15772 11730 4038 1 10109 10985 13911 13743 1 9167 4481 5267 19992 18577 8240 8849 10169 10680 16044 16180 18069 19459 5567 5650 1 3762 10814 11561 1 4876 6805 5420 23458 23620 11934 9854 13687 14929 16254 14719 15084 16216 20735 19483 13127 12896 13581 1 15741 14132 10606 11044 20366 21804 3450 3200 18704 17853 12405 13046 7137 6957 291.0704 *291.0713* 291.0713@4.332193 6690 6461 9467 1 1 8893 1 1 4902 1 1 1 1 1 1 7663 1 1 1 1 1 5872 5016 1 1 1 1 1 1 4094 1 4175 1 1 1 1 9407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3346 1 1 1 4559 1 1 1 1 1 1 1 1 1 1 4097 1 1 1 1 1 1 1 13686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.0713 *291.0893* 291.0893@0.9635795 9818 1 7131 1 4123 1 6806 10397 1 1 1 1 1 8448 1 1 1 1 1 1 1 1 3687 1 1 1 1 1 1 1 1 1 1 8366 8366 8373 1 6497 1 1 1 10985 1 1 1 1 1 1 8833 1 5698 1 1 1 1 1 7822 1 1 1 1 6422 1 1 1 1 7997 7252 1 1 1 1 1 1 1 1 6038 1 4226 3954 3979 8756 1 1 4035 3563 1 1 1 1 291.0893 *291.094* 291.094@0.9630312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.094 *291.1038* 291.1038@0.953325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2723 6304 1 4626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.1038 *291.1055* 291.1055@0.91399646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13759 9746 14875 11385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.1055 *291.1061* 291.1061@9.893652 1 1 1 1 1 1 1 1 1 1 1 1 5975 6201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.1061 *291.8642* C9 H2 Cl2 O S3 15531 10982 1 11082 12170 7338 8280 8594 7735 7913 13954 11226 7913 8236 8444 1 8705 1 1 12257 1 15071 8450 8325 8527 1 1 1 7875 1 7864 1 1 8304 7674 7204 1 1 7435 7860 8442 7863 8661 8120 8332 8366 8499 11529 1 8495 8488 1 11235 8555 12997 1 7573 1 1 7930 8301 7106 7862 7274 7789 9600 9386 8769 9067 13694 11455 1 8686 15685 9276 8124 1 10398 1 8251 9024 9326 1 7293 11399 1 8106 7931 1 1 291.8642 *292.089* 292.089@2.8678203 1 1 1 1 1 1 6213 5909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3429 3939 292.089 *292.0895* 292.0895@1.7602621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.0895 *292.0898* edetate - 1.1820154 1 1 1 99751 1 1 52527 1 159079 120451 114358 1 1 1 82226 87468 1 78108 61294 41067 1 67350 86581 75503 70651 1 61895 74822 1 65741 1 1 1 1 36626 1 42530 1 106966 35932 1 101706 160852 181242 143068 138342 195258 198085 152229 113499 119354 117027 88681 90648 82585 80872 168194 205619 163729 239841 348128 321772 234694 238269 123161 140525 237749 285157 192948 211325 176981 179330 262548 231057 293501 286303 284664 289381 263858 267445 266452 250734 426056 395204 234982 233618 238163 218697 1 1 292.0898 *292.09* 292.09@1.458518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.09 *292.0903* 292.0903@1.0897483 1 1 1 1 1 1 24309 1 171558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179044 206106 160396 155212 216845 224679 148366 1 109430 1 1 1 1 1 1 1 162783 179836 243927 250294 1 238411 1 1 190121 255053 118979 185546 161963 172417 196832 217251 263839 313707 246926 218664 202225 1 248372 251152 275570 281181 219716 159588 216976 205700 1 1 292.0903 *292.0904* edetate 191965 193113 132821 129042 120730 125318 87987 86783 114314 114731 184571 148193 121617 120966 111428 134022 105875 115708 102327 103055 128402 137738 119284 129004 121740 127901 150719 129498 137849 145378 90964 111805 144718 136155 160653 140522 141530 124164 150078 138894 113804 115789 128253 139238 106028 113152 122056 129605 103066 120309 116377 115848 105001 106667 113631 113106 68206 94563 107508 114684 176458 178179 158061 135251 100352 103864 94995 100888 83809 77697 105881 97153 125309 119768 119354 115373 132832 132028 112739 115889 111768 113743 152753 151238 101547 102036 143708 138141 132405 134933 292.0904 *292.0916* edetate - 0.93380904 5370030 5432898 4321968 4364313 4629666 4742036 3426857 3502539 4559777 4408805 4847766 4716013 4686146 4663792 4931131 4995672 3845678 4027039 4116057 4176490 4849943 5195036 4819221 4749016 4584901 4718197 4951660 4826180 4950561 5165297 5090024 5095478 4952699 4731186 5346252 5195776 5132400 5317395 5441017 5385343 5382100 5542323 5999257 6010727 5030977 4981437 5300181 5348151 5066157 5048903 5153556 5183986 5044267 5112257 5018674 5021530 4704045 4977507 5667083 5789390 6522002 6632806 6908050 6821178 5651961 5693173 5264619 5517984 5323321 5240556 5680524 5633867 6089332 6127369 5602835 5769853 5785828 5775411 5294185 5273964 5057138 5008526 6310245 6244222 5231696 5231501 5754322 5752082 6717239 6503982 292.0916 *292.0992* 292.0992@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.0992 *292.2329* 292.2329@1.1820569 1 1 1 1 1 1 1 1 1 1 1 1962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2016 3615 1 1 1 2309 1 1 1 2179 1 1 1 1 1 5482 1331 1 1 1 1 1 1 292.2329 *292.2329* 292.2329@0.94891155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2329 *292.2334* 292.2334@0.957987 1 1 1 1869 1 3972 2300 1 2140 1 1 1 1 1737 1 1 1 1330 1 1 1742 1 1 1 2046 1 1 1 1 73207 1 6332 1 1 1 1 1 2850 1 1 1 1 1 1 1 1 1 1 1 3528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1 1 202651 78355 4276 1 1 1 5727 1 1 1 1 1 1 1 1 63327 66187 292.2334 *292.2913* 292.2913@1.1295737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 2409 1 1 1 1 1 1 292.2913 *292.7891* 292.7891@0.951737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7314 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2183 1 1 1 1 1 1 2939 1 1 1 1 1 1 292.7891 *292.7946* 292.7946@0.9220584 1 1 1 5196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.7946 *292.7976* 292.7976@0.94018096 1 1 1 1 1 1 1 1 1 2224 6013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6435 1 1798 6285 1 1 6036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 4572 1 5568 1 1 1 1 1 1 1 1 1 2969 1 1 1 3280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.7976 *292.805* 292.805@0.93245673 1 1 1 1 1 1 1 1 1 1 1604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3444 1 1 1 1 1 1 1 1 292.805 *292.8117* 292.8117@0.95101225 1 1 1 1 1 1 1 1 1 1 1 1 3207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.8117 *292.8124* 292.8124@0.9190118 1 1 1 1 1 1 1 1 1 1 1 1 3529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.8124 *292.8184* 292.8184@0.93824863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8113 1 1 1 1 10090 1 1 1 1 1 1 1 1 6014 1 1 1 1 1 1 1 3925 1 1 1 1 1 1 1 1 1 9224 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 292.8184 *292.8246* 292.8246@0.9289512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 5998 1 1 292.8246 *292.8343* 292.8343@0.93749446 1 3363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 1 1 1 6915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.8343 *292.8382* 292.8382@0.93695354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2785 1 1 1 292.8382 *292.846* 292.846@0.93944335 6212 1 7039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708 1 1 1 1 1 1 1 1 1 1 9135 1367 1 1 1 1 1 1 2565 8373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3467 1 1 1 1 4603 1 1 1 1 4775 1 1 1 3736 1 1 1 292.846 *292.8542* 292.8542@0.94233876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 1 1 1 1 1880 6923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6284 3859 1 1 1 1 1 1 1 1 1 292.8542 *292.8597* 292.8597@0.9388484 1 1 1 1 4140 1 1 1 1 1 1808 1 1 1 1 1 1 1 1 1 2360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3395 1 1 1 1 1 1 1 5291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6842 1 1 1 1 292.8597 *292.8687* 292.8687@0.9379868 1 1 1 1 1 1 1 1 4886 1 1 1 1 1 1 1 1 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1 1 1 8668 1 1 1 1 1 1 1 1 1 1 1 1 1 292.8687 *292.8725* 292.8725@0.9363667 1 1 1 1 1 1 1 1 2916 1 4308 6744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4119 4728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3714 7088 1 1 1 6652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.8725 *292.8852* 292.8852@0.9344134 1 1 1 1 1 1 1 1 1 1874 1 1 2435 3819 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3872 1 1 1 292.8852 *292.8867* 292.8867@0.93851995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.8867 *292.8966* 292.8966@0.94127226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5179 1 1 1 4792 1 1 1 1 1 1 1 2955 1 1 1 1 1 1 1 1 1 1 6267 1 1 1 1 1 1 1 1 1589 1 1 1 1 1 1 1 1 10561 1 1 1 1604 1 1 7249 1 1 1 1 2637 1 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 292.8966 *292.8982* 292.8982@0.9299517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9949 1 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 1 1 1 6954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.8982 *292.904* 292.904@0.94637644 6030 1 1 1 1 3141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5677 1 1 1 1 1 1 1 1 1 1 1 5717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3928 1 1 1 1 1 1 1 1 1 1 1 1 292.904 *292.9154* 292.9154@0.9284956 1 8850 1 1 1 1 1 4345 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1802 1 1 2366 1 1 1 1 1 1 1 1 6165 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 7367 1 1 1 1 1 3001 1 1 6011 1 1 1 292.9154 *292.9197* 292.9197@0.9371778 2425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 1 1 4209 1 1 1 1 1 1 1 1 1 1 6969 1 1 1 1 1 1 8480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.9197 *292.9258* 292.9258@0.9350891 1 1 4910 1 2041 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 3169 1 4429 1 1 1 1 4013 1 1 1 1 4902 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 1 1 1 3940 1 3349 1 1 1 1 6119 4862 1 1 1 1 1 1 5394 3269 5447 1 1 1 1 1 1 1 1 1 2823 1 1 1 4994 1 1800 292.9258 *292.9363* 292.9363@0.9448502 1 1 1 1 1 1 1 1 1 1 1 1 4731 1 1 1 1 1 1 1 4497 1 1 1 1 1 1 1 1 1 1 2367 1 1 1 1 2930 1 1 1 1 1 2427 1 1 1 1 2827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.9363 *292.9455* 292.9455@0.92198914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.9455 *292.9558* 292.9558@0.92851907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.9558 *292.9623* 292.9623@0.92726576 1 1 1 1 4163 1 1 1 1 1 1 1 1 1 3976 1 1 1 1 1 1 1 1 1 1 1 5438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8585 1 1 1 1 1 1 292.9623 *292.9713* 292.9713@0.93894887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2429 1 1 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.9713 *293.0884* 293.0884@1.7977135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.0884 *293.0891* 293.0891@1.7660455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3402 1 1 1 1 1998 3238 1 1 2178 1 1 1 5380 1 1 1 1 4226 1 1 1 1 1 1 1 1 1 1 1 1 5629 2855 1 1 293.0891 *293.0927* 293.0927@1.1095936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5954 1 1 1 1 1 1 1 1 1 1 1 1 1 4809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9924 1 6483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.0927 *293.1455* 293.1455@2.804127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5285 5348 1 1 14031 14761 1 4407 10672 10720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7143 7986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4452 1 293.1455 *293.2337* 293.2337@0.9598816 1 1 1 1 1 1 1 1 1 1 7084 1 1 1 1 1 1 1 1 1 3147 1 1 2402 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8191 1 4890 1 1 12410 1 1 1 1 1 1 1 1 12765 1 1 1 1 1 1 7225 1 1 1 1 1 1 293.2337 *293.2347* C18 H31 N O2 17881 12019 9711 2670 9798 11053 5386 7572 1 1 5783 1 9355 1 10552 10089 1 1 1 1 1 1 1 11071 12708 8820 8415 1 1 1 1 13065 1 4852 9213 1 11682 11727 11765 9199 12017 8600 15476 18478 1 1 1 1 1 5275 11924 1 7083 8210 1 1 9530 1 1 1 16953 19962 1 19431 12747 9662 14583 1513 1 1 13777 8688 12143 1 1 1 1 1 14339 1 1 1 1 12618 14162 1 13921 1 12823 15026 293.2347 *293.2898* 293.2898@0.926678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5180 1 1 1 1 1 1 1 1 1 1 1 1 4576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.2898 *293.2955* 293.2955@0.9351594 9192 10108 1 1 1 7672 5444 5403 7696 3154 8495 8245 7043 7690 1 9987 3051 5312 1 1 8343 6381 8196 7894 7256 1 7388 7300 7363 6852 8048 7419 8403 6280 8708 9901 1 1 2023 7962 1 8325 1802 4122 1 1 1 8274 1 7022 1 8871 5407 1 5556 1 8894 1 4182 2357 2373 14906 13552 14103 10109 1 4310 8234 11133 7173 1 9959 11871 3216 10274 5019 11486 6920 6282 8392 1 5664 11430 13495 8203 1 8128 9745 14690 13261 293.2955 *293.3007* 293.3007@0.943413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8256 1 1 2065 1 1 10153 1 1 1 8641 1 1 1 6664 1 1 7688 1 7530 1 7871 1 1 1 1 1 1712 1 13771 2786 1 1 2311 7805 1 1 8104 1 3581 1 1 3171 1 6299 1 1 1 1 1 1 1 1 1 293.3007 *293.3039* 293.3039@0.91701293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.3039 *293.3377* 293.3377@0.92898184 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 1 1 1 1 1 1 4409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 293.3377 *293.3485* 293.3485@0.92667264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4648 1 1 1 5694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1803 293.3485 *293.3533* 293.3533@0.95449907 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.3533 *293.798* 293.798@0.924464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 1 1 293.798 *293.809* 293.809@0.9369179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.809 *293.8208* 293.8208@0.9319524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 293.8208 *293.8225* C5 H Cl3 O2 S3 5117 1 5134 4673 5500 6095 1 6288 7087 5868 5299 5516 5184 7441 5815 5457 5978 5812 5577 5315 5350 5423 6693 5302 10042 5551 8026 5728 5682 5113 5924 6752 6690 7573 5614 1 4833 5724 5732 5898 5860 1 5909 5351 5798 8561 5799 5241 8646 5893 5231 5814 8078 5623 5141 8125 5245 8406 1 5762 6960 5959 6163 6063 6683 1 5677 7468 5325 5621 5322 6009 5462 5639 5823 5982 8253 5754 6070 6750 5545 5898 6066 5547 5980 6476 6252 6382 5852 6101 293.8225 *293.826* 293.826@0.84506935 1 1 1 1 1 1 5498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.826 *293.8372* 293.8372@0.9308971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.8372 *293.8614* 293.8614@0.9279611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2369 1 293.8614 *293.8775* 293.8775@0.92893124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.8775 *293.8923* 293.8923@0.9249564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.8923 *293.9218* 293.9218@0.92596126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1962 1 293.9218 *293.935* 293.935@0.92189866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.935 *293.937* C8 H7 Cl N2 O2 S3 1 1 3300 1 2819 2752 3398 3485 3339 3426 2426 2491 2924 3338 3004 4397 3047 2847 3355 3148 2522 2843 3378 3077 2588 2599 3885 2726 3083 3253 3065 1 3374 1 3587 3010 3251 3152 3278 3528 1 3434 3349 3020 3307 2828 3653 4119 3915 3935 3155 3461 3026 3532 3080 2670 3970 3817 3272 3386 3099 3156 3127 2676 2807 3264 4138 3124 3107 3248 3434 3934 3662 3722 3258 3755 3226 3526 3796 3227 4587 4141 2862 2688 3237 3510 3586 3765 1 3218 293.937 *293.9415* 293.9415@0.92643243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 293.9415 *294.0174* 294.0174@5.4515376 1 1 1 1 1 1 3795 4280 1 1 1 1 3400 3749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0174 *294.0433* C19 H6 N2 O2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 1945 1 1788 1 1 1 1 1 1 1 1 1 1 2279 2565 1596 1 2456 3082 4080 3277 2030 2366 2069 2438 2195 3191 1748 2674 1 1827 1995 1833 1 1 3082 3040 2798 1 1 1 3074 3107 1786 2333 2864 3260 3325 3381 2496 2293 2534 2991 3456 3066 1 2199 2652 2634 3589 4059 3679 3025 2563 2087 2378 2999 2008 1 2459 2831 294.0433 *294.0554* 294.0554@2.9175854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3326 3333 1 1 1 1 294.0554 *294.0566* 294.0566@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0566 *294.0816* 294.0816@0.94014484 1 1 1 1 143222 1 121744 122304 1 1 236074 228437 1 1 1 1 127344 1 1 1 1 1 1 159770 1 1 1 159956 1 1 1 1 1 1 1 164232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0816 *294.0924* 294.0924@1.1819618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.0924 *294.1134* 294.1134@0.82600224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1134 *294.1252* 294.1252@0.8280493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1252 *294.149* 294.149@9.85666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8592 8103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.149 *294.1813* Embelin - 9.58408 9770 9858 10148 9464 9160 9447 10757 10185 9695 10054 9684 9241 9181 9561 10556 10693 9529 8867 8982 10202 10562 10022 11109 10148 11297 10069 9991 9404 10781 10702 10728 10384 11310 12260 11141 10710 9676 13217 11599 11519 11610 11836 10897 10653 12004 9953 11588 11399 11192 11573 12244 11895 11914 11210 11561 11187 9892 6356 8853 7838 6690 8722 6411 7562 8108 8255 6229 6992 6992 8012 6668 7359 6503 7086 7906 7342 7340 6346 7392 5319 6750 7870 6192 6355 7241 7490 7430 8003 7933 7997 294.1813 *294.1816* 294.1816@9.131792 1 1 1 1 1 1 1 1 1 1 9068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1816 *294.1817* Embelin - 14.352174 5277 10031 5868 1 1 1 7932 1 1 1 5232 1 7167 7072 1 1 1 9678 8877 1 11622 1 1 1 1 1 7621 1 11297 6724 1 18569 11564 12056 1 1 12952 15240 22206 21663 1 1 1 9638 1 17334 1 12160 1 1 21616 19561 10031 1 1 1 12027 22641 12240 11761 1 1 10401 1 15606 8540 4905 6566 1 1 6800 16843 17688 15040 5930 1 8035 6851 14343 12904 14100 7456 1 1 1 13528 1 1 13466 27658 294.1817 *294.1818* Embelin - 14.664187 11373 8205 13659 1 11073 8698 10890 11669 1 10794 4117 1 8732 10952 1 1 9256 1 10749 7786 4908 13487 1 1 1 10160 3746 11243 6316 5699 13587 17039 11274 10965 1 1 14044 15925 16810 12525 1 6688 8239 9446 16360 1 15918 15206 1 1 18110 20901 1 1 8299 12280 20028 1 3708 12593 1 15840 1 11105 5319 18131 13823 14181 1 16617 7620 1 1 1 13892 14866 17052 17626 20826 16298 1 16674 16684 10891 17179 16429 4348 1 1 18799 294.1818 *294.1819* Embelin - 13.931011 6001 4531 4918 4914 12777 13486 5824 11485 1 1 9900 10099 4895 10278 8285 1 1 1 3915 10849 5768 12569 1 9359 1 9316 1 9575 14606 10487 14422 7477 6109 7349 11732 6947 2303 5386 7478 5849 1 7848 9080 5986 13512 12010 13671 7916 9397 1 7781 9103 8249 8382 9680 7062 6809 13291 11273 6102 1 6980 10757 8459 10291 8008 6999 7224 7311 8264 8945 8456 6468 9674 8876 8735 6534 6304 6743 6448 10023 7317 8830 8785 11612 11736 6012 1 17535 8082 294.1819 *294.1821* Embelin - 13.636489 5702 5060 6247 7996 7197 8032 3611 5018 8561 12737 2922 1 5161 6039 1 8507 9801 7936 7031 6184 7744 8361 9010 4040 8614 1 12207 3352 8967 12180 9763 7925 7310 3944 1 1 9379 10178 13976 12497 8535 1 11405 4831 7692 8666 7946 9247 1 9570 11021 13279 1 1 7423 1 8559 8261 9296 7280 8087 1 1 6095 5561 5406 5435 5583 10547 7594 4319 4190 9551 7038 6542 7151 7302 6956 9912 8431 1 4742 7244 6315 11437 11009 1 1 15955 18492 294.1821 *294.1821* 294.1821@13.049564 1 1 1 1 3352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5079 1 4774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5032 1 4761 6818 1 1 1 1 1 4071 1 3839 1 1 4218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6338 1 1 1 1 1 1 1 1 6190 5357 294.1821 *294.1821* 294.1821@13.239134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8991 6781 1 1 1 1 1 1 8518 8353 1 1 1 1 1 1 1 4560 1 1 7735 4374 1 1 1 1 1 1 1 3396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9932 9825 294.1821 *294.1822* Embelin - 14.229529 9027 6232 7862 8063 10269 10821 9764 5332 1 1 4805 12008 8951 1 1 1 1 1 9750 8539 14509 12812 1 6552 1 1 1 3676 11784 2978 18756 13459 12518 12800 1 1 11285 13079 18858 17483 1 1 1 12715 13244 12744 13075 13603 1 1 16822 15691 1 1 1 1 12286 13705 14225 10625 1 1 1 1 9186 11616 10453 9497 12063 1 10975 1 1 1 9044 1 11365 9411 12966 13004 1 10592 1 1 10833 1 1 1 23400 19851 294.1822 *294.1822* 294.1822@14.76149 1 1 1 1 1 1 1 1 1 1 5009 1 1 1 1 1 1 1 7479 1 10745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1822 *294.1825* Embelin 236417 234986 263818 301970 284999 284618 298970 308101 277938 265935 328254 339428 294322 290494 370862 373936 305581 263086 324359 290096 386178 348639 333576 330514 359420 363449 320087 302130 400567 421799 416594 424340 405410 407083 405659 359896 400152 467980 409086 463594 404941 465844 417602 422919 335883 330135 446753 447623 410721 402622 451572 533407 357369 381679 387206 443341 428581 379133 442289 504427 435106 435170 261541 257405 514259 519101 458267 462100 409069 475102 442236 374854 391875 450897 441124 449170 447881 451665 423215 421581 374884 381341 348078 399681 429283 538005 405452 389066 452577 445793 294.1825 *294.1826* 294.1826@13.071557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1826 *294.1844* 294.1844@10.860557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11171 1 1 1 1 1 1 1 1 1 1 1 1 1 5751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38604 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1844 *294.185* Sodium tetradecyl sulfate 58364 56912 58737 56779 57473 53857 57820 56237 59450 60528 56963 62342 60237 59951 65737 51701 57858 58559 60347 58080 60352 59934 61222 64204 65176 61668 63296 65245 64371 54370 65172 63597 64634 60924 64194 59277 62087 63034 63088 57645 66165 65323 63027 65425 67265 67313 64779 67468 63282 69026 64236 66583 67733 65367 66211 67992 58995 62134 56612 54007 48711 46771 43454 42897 42766 39891 39203 38514 37360 38294 35847 36375 38488 36513 37343 37886 1 37448 35992 38612 37607 38388 36814 37505 38476 35068 37382 37662 37386 36129 294.185 *294.1853* 294.1853@10.895391 1 1 1 1 1 4811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1853 *294.2357* 294.2357@0.9249678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.2357 *294.3263* C21 H42 1755 1783 2209 2188 2228 2433 2554 1 2536 2808 2908 1 1 1 3837 3324 2877 1 1 1 4298 4035 2242 1 1 1 1468 2138 3552 1 3800 1 4471 2906 4622 1 4072 1 1 4743 5404 1 2752 1 2579 2448 1 2183 1 1 1 1 1 4050 1 4466 4595 2615 6085 3955 4291 1 1 1 1 1 4599 1 3818 1 1 1 5232 1 1 3976 1 1 1 1 1 1 3821 1 1 1 5719 3703 1 1 294.3263 *294.9474* 294.9474@3.8272638 3870 3906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4648 4348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 2828 1 1 1 1 294.9474 *294.9935* 294.9935@7.034926 1 1 1 1 1 1 1 1 4418 4885 4239 4151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11222 11021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10758 9983 3836 3661 1 1 1 1 16465 16098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.9935 *295.0044* 295.0044@1.2430946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.0044 *295.0115* 295.0115@3.4704158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3371 3210 1 1 1 1 1 1 1 1 12030 12396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.0115 *295.0661* 295.0661@2.833847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3868 3537 1 1 1 1 1 1 1 1 1 1 1 1 4473 4323 295.0661 *295.0914* 295.0914@0.9402722 1 14758 1 1 1 13978 1 1 1 12488 1 1 1 1 17596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.0914 *295.1844* 295.1844@9.047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.1844 *295.1873* 295.1873@10.854194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.1873 *295.813* 295.813@0.8475667 7494 6268 6456 6508 7144 7623 7028 7254 7204 6847 7023 7054 9842 7179 7286 7045 7593 7561 7064 6744 6965 6929 6902 7029 7535 7155 7303 7059 6706 6948 7732 7586 7292 7382 7566 7342 7004 6653 7426 7232 7089 6742 7229 7256 7154 7385 7353 7729 7123 7182 6480 7335 7299 7472 7278 7362 7061 7287 7309 7390 7681 8482 7326 6704 7698 7892 6926 7360 7222 7718 7073 7185 7506 7236 7731 7809 7972 7579 8303 8553 7263 7514 7902 7896 7597 8204 7528 8137 7546 7396 295.813 *295.8491* 295.8491@7.1595516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3026 1 1 1 1 295.8491 *295.9001* 295.9001@0.7913583 1 1 1 1 1482 1 4025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.9001 *295.9077* 295.9077@0.7920111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.9077 *295.9583* C11 H8 N2 S4 4809 4497 5115 5633 4432 4817 6543 6790 5677 5439 4355 4235 5690 5346 4720 4791 4966 4736 4988 5452 3639 3772 4157 4865 4887 4488 4578 4820 4661 5420 1 3870 4619 5115 6634 5813 5225 5372 6855 5114 5070 5184 4881 5170 5546 5384 5497 5507 5672 5854 5137 5436 5666 5492 5437 5721 5512 5520 5256 7038 1 5528 6639 4961 4222 4301 5553 5072 5330 5818 5499 5043 5696 4835 4250 6198 4174 4150 5219 5176 6372 5337 5352 4844 5809 4804 6078 6143 5588 5057 295.9583 *295.9998* C13 H12 O2 S3 7181 6126 8234 7999 7638 8251 6362 6938 8704 8012 9276 8861 6544 7556 9233 9647 6741 5466 8444 8058 8326 9677 9222 9612 7306 7616 8477 8079 9069 9174 9350 8140 6752 7134 5699 6212 5986 6916 6795 5496 6473 6849 5864 5680 6418 6418 6172 5744 7969 7020 6557 7072 5939 5457 4959 6962 5811 5535 4936 6508 7501 7230 5752 5511 4880 5322 5717 5586 6067 5266 6215 6633 6950 7084 8291 8714 6238 6128 6288 6205 5496 7511 6562 5175 6268 6151 5958 6315 5918 5838 295.9998 *296.0346* 296.0346@5.310555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72889 68721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260953 254440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6791 7801 1 1 1 1 1 1 1 1 1 1 754570 760009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0346 *296.0606* 296.0606@2.8495195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 5020 1 1 1 1 1 1 1 1 1 1 296.0606 *296.0799* 296.0799@0.93794966 1 4960 4989 1 1 1 1 1 1 1 1 1 1 4096 1 1 1 6089 8293 7995 1 7484 4805 1 1 4063 4663 1 4469 4426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0799 *296.0896* Penicillamine disulfide 6934 1 1 6104 1 6997 8549 8160 1 1 1 1 1 1 1 4372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8645 5469 8129 5513 5027 1 1 5741 6528 4200 4278 4075 1 1 4938 4771 1 1 1 3799 9854 9617 4115 1 4269 4123 5468 4918 1 1 1 1 1 1 4911 4604 4062 1 1 1 1 6691 1 1 3907 3575 5698 3964 7431 8035 5626 5366 4090 1 5599 5269 5606 6340 7864 4582 296.0896 *296.1141* 296.1141@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1141 *296.1231* 296.1231@6.899525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1231 *296.1459* 296.1459@3.9378219 1 1 1 1 1 1 1 1 1 1 1 1 20757 21144 1 1 3179 2797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1459 *296.178* 296.178@5.308292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.178 *296.194* 296.194@13.077308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3122 3205 1 1 1 1 1 1 4455 3903 1 1 1 1 1 1 1 2519 1 1 1 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2548 1 1 2214 1 1 1 2205 1 1 5001 5037 296.194 *296.197* 296.197@9.58629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.197 *296.2335* 296.2335@11.993614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3677 3858 296.2335 *296.961* 296.961@0.8070267 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.961 *296.9629* 296.9629@4.0763054 16178 26130 1 1 1 1 1 1 1 1 17192 19060 1 1 1 1 1 1 1 1 44503 46554 26507 24970 15107 22442 1 1 1 1 4626 4910 11812 8452 18005 17169 12321 12736 1 1 1 1 1 1 1 1 1 1 1 1 88921 89582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14810 15206 1 1 1 1 1 1 1 1 6095 5974 1 1 1 1 12497 11696 31190 30844 1 1 1 1 296.9629 *297.0307* 297.0307@8.112346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.0307 *297.0508* 297.0508@0.8950132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.0508 *297.8095* C3 H Cl3 N2 S4 3107 6161 3561 3367 7598 7172 3503 3374 3643 7526 6876 5644 3714 8147 3518 3244 3570 4007 9875 7612 3266 2973 3341 7641 3634 3887 3709 3171 3512 7482 3966 3428 7375 3850 6654 6716 3331 3729 7342 7346 3606 3448 6271 3848 8628 3744 5334 7956 3583 3204 3254 3399 3331 6762 3599 3800 8298 1 7862 5650 3957 8230 7914 7627 7853 7672 3764 3328 7188 9719 3723 7361 3678 3441 5957 8348 1 3580 1 6769 8287 3798 8035 4043 3990 5142 4019 6179 3603 7951 297.8095 *297.8963* C5 H8 Cl2 O4 S3 43247 39628 46026 1 39465 40175 44966 44571 1 1 24430 39328 42385 45016 41870 25818 44967 44831 1 1 43524 46520 44218 48006 45482 45321 43765 43434 43003 34226 40128 40953 48735 41248 23248 39586 43312 44067 39510 41344 41981 42305 43930 42680 44443 45936 40943 47652 43650 1 41226 35854 1 1 45315 1 1 40613 25848 42479 23346 38272 36922 37109 41936 40622 48595 47492 46966 1 43786 44885 44424 43909 28152 44342 45791 53584 33578 42730 53006 46141 40643 41459 46671 42709 45567 40830 42739 42520 297.8963 *297.8965* 297.8965@0.8329397 1 1 1 45183 1 1 1 1 26533 41710 6508 1 1 1 1 1 1 1 52206 46409 1 1 1 1 1 1 1 1 1 7948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46301 1 12106 49685 43974 1 45669 41822 1 1 1 1 1 1 1 1 1 1 1 1 50009 1 1 1 1 1 1 1 1 8302 1 1 1 1 1 1 1 1 1 1 1 297.8965 *297.9856* 297.9856@4.131908 1 1 1 1 1 1 4393 2558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4636 3608 1 1 3175 1 1 1 5630 6185 4648 4244 3646 3585 1 2477 1 2806 3525 3367 4150 3972 1 1 2479 2586 3346 1 1 1 1 1 3085 1 1 1 1 1 1 1 3183 2959 1 1 1 1 1 1 1 1 1 1 1 1 4277 4274 1 2818 1 1 1 1 4130 4260 1 1 297.9856 *298.0443* C11 H10 N2 O8 554371 555168 1 1 1 1 53426 54088 124834 126445 472820 478689 5501 5738 3919 3714 6985 7311 209517 207500 305319 299759 157647 157014 1633 1933 1 1 1 1 1 1 1 1 755981 134255 1 1 41753 42525 113383 115639 1 1 210112 211008 1 1 1 1 1 1 3905 4268 1 1 147265 148427 100625 100971 1 1 19840 20343 83659 85605 108455 111305 111659 108724 781203 780755 1 1 14107 14356 93455 94344 1 1 8784 9407 186705 186055 18265 18886 105195 721848 1 1 298.0443 *298.0452* 298.0452@5.4395256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608348 1 1 1 298.0452 *298.0453* 298.0453@5.535964 1 14161 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8725 1 1 1 298.0453 *298.0802* 298.0802@8.388566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14930 14418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25026 24711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5412 5686 1 1 1 1 1 1 1 1 1 1 37943 39156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0802 *298.0877* 298.0877@0.99703664 1 1 1 1 1 1 1 3990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0877 *298.1383* 298.1383@8.061935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 4395 1 1 1 1 1 1 1 1 1 1 6396 7060 1 1 1 1 3313 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3415 2925 1 1 298.1383 *298.1584* 298.1584@14.1683655 1 1 1 1 4354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4911 4712 1 1 1 1 1 1 6229 1 5568 5422 5099 4211 1 1 3703 6401 7834 6470 1 1 1 1 1 5648 4453 1 1 1 5656 4736 1 1 1 1 1 3538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5117 10196 298.1584 *298.1587* C19 H22 O3 5751 5073 5795 5167 1 1 4658 1 6617 1 4906 5538 5663 6152 5170 5120 4688 4433 5903 1 4163 5373 4816 6328 6020 4982 5496 4845 1 3651 5647 4798 5423 5328 5470 6121 5369 6318 5181 5360 1 6253 1 4869 1 1 6770 5041 1 6255 1 1 1 7121 4861 1 4986 1 1 2546 1 1 1 1 1 1 4573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4298 1 1 1 1 298.1587 *298.1587* 298.1587@9.5329 1 1 1 1 1 1 1 1 127427 119546 33302 1 1 1 1 1285 107403 1 1 1 1 1 1 1 1 1 1 1 1 35103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32268 1 1 1 1 1 15811 43121 1 1 1 1 1 26857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1587 *298.1588* C12 H22 N6 O S 1 1 1 1 1 1 1 1 1 1 45480 1 1 1 1 34144 1 1 1 1 1 1 1 1 1 1 1 1 1 56391 1 120072 130340 1 1 1 1 1 1 1 1 1 1 1 1 125075 130368 1 1 129374 1 124220 1 1 130287 1 116366 1 42279 82100 81078 80464 76796 79359 62694 32519 62587 81144 80936 81940 82056 56677 82514 80329 77585 80372 79793 78667 47088 79908 83802 81235 81562 81830 83810 82566 80332 83467 82533 81756 298.1588 *298.1588* C16 H26 O3 S - 9.732752 39678 38760 37190 42407 40042 40524 41706 39298 41601 41174 43031 38466 37960 36551 42336 39690 39936 41433 42107 40423 37983 41572 42262 44065 42233 41745 42005 43743 43535 37338 39837 37981 44229 40105 41878 41672 40933 36773 41973 39621 42378 47151 40448 42685 41333 42123 45161 45006 46473 41528 41426 41013 43634 45585 44348 40262 42767 36108 31434 28515 29491 27045 27423 27785 25848 25637 27836 19635 26107 27986 28232 29572 30126 28736 29753 28009 31773 27856 28276 28325 31808 29577 29660 30225 29713 30297 31106 29221 26027 29268 298.1588 *298.1588* 298.1588@13.467706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3617 1 1 1 1 1 1 1 1 4003 3970 1 1 1 1 4312 5192 6338 4701 1 1 1 1 1 1 1 1 1 1 4154 5918 1 1 1 1 3094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 5646 298.1588 *298.1588* 298.1588@14.660021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1588 *298.1589* C16 H26 O3 S 117986 119105 105275 118323 121560 116141 123404 117655 1 1 32450 123417 120502 121131 125337 87673 1 120160 120933 120329 122233 124948 123759 126770 123139 121595 121182 124748 123476 28050 123376 1 1 125585 123497 121399 122940 122544 124712 123253 123678 132478 120817 123871 123787 1 1 130092 127339 1 128609 1 128251 128873 1 126045 1 96167 1 1 1 1 1 1 1 1 1 11725 1 1 1 1 1 1 1 1 1 1 27643 1 1 1 1 1 2765 1 1 1 1 1 298.1589 *298.1589* 298.1589@14.163951 1 1 1 1 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 3640 3403 4769 4630 4570 1 1 1 1 1 5933 3499 9744 7935 5081 4911 1 1 6136 3608 10413 10649 1 1 1 4793 4439 5010 4175 2725 1 1 10754 10185 1 1 1 1 3960 2694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3251 1 1 1 1 3653 1 1 1 7275 4391 298.1589 *298.1595* 298.1595@9.791555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1595 *298.1866* 298.1866@5.4430037 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1866 *298.1872* 298.1872@5.432259 5346 8231 1 1 1 1 1 1 1 1 5495 4384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11965 13470 1 1 1 1 1 1 1 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9110 4081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8863 9174 1 1 298.1872 *298.2046* 298.2046@10.228121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2046 *298.2459* 298.2459@5.4304113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3059 4307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3524 1 1 298.2459 *298.2481* 9R-hydroxy-12E-octadecenoic acid 1 1 2639 2972 2318 2724 1 1 3045 1 1 3585 2986 1 2932 1 1 1 1 1 1 3592 1 3161 3283 3011 2557 2942 1 1964 3418 1 3370 2687 2812 2953 3145 2586 1995 3603 2809 2945 1 1 3872 2797 3629 1 3940 3046 3024 1 1 3004 2772 1 3246 2619 1 1 3468 2462 3212 1 2831 3345 1 1 1 2526 3008 2956 1 3410 3250 1 1 1 1 2600 1 3004 2567 1 3038 1 3166 2865 2839 1 298.2481 *298.2481* 298.2481@11.441979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2481 *298.2484* 298.2484@12.401143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2574 1 3022 1 1 1 1 1 1 1 1 298.2484 *298.2487* 298.2487@12.759594 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3228 2935 1 1 1 1 1 1 1 1 4590 4319 3336 3745 1 3280 3399 1 3464 4018 6037 6111 1 1 1 1 3029 3214 1 3849 1 1 4511 5244 1 1 1 1 1 3690 3038 2545 1 1 1 1 3691 3399 1 1 1 1 1 1 1 1 1 1 4245 4541 4301 7070 5326 3292 1 1 1 1 1 1 7692 7175 298.2487 *298.2487* 298.2487@11.1536255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 1 1 1 1 1 1 3530 4054 1 5957 1 1 3381 1 7405 7468 1 1 2744 1 2313 2933 1 1 1 1 3988 5329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2612 1 1 5917 3067 298.2487 *298.249* 298.249@11.098068 1 1 1 1 2892 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3294 2857 6815 1 1 1 1 3679 9912 10387 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 3789 1 1 1 1 2736 1 1 1 1 5922 298.249 *298.2537* 298.2537@5.4319673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2537 *298.9603* 298.9603@4.076983 6646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6204 1 1 1 1 1 1 1 1 3425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 2577 1 1 1 1 1 1 1 1 1 1 1 1 298.9603 *298.9623* 298.9623@4.868468 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 3248 1 1 1 3344 1 1 1 1 1 1 3279 1 1 3896 3957 3305 1 3912 1 1 3607 3536 3531 4210 4028 1 1 1 3367 4036 4157 1 3771 3189 3355 4377 4642 4838 4284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.9623 *299.0478* 299.0478@5.4871745 1 1 1 1 1 1 1 1 1 1 4937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.0478 *299.078* 299.078@5.245495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9613 9396 1 1 1 1 299.078 *299.099* 299.099@4.3412256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 2928 1 1 1 1 1 1 1 1 299.099 *299.1198* C14 H21 N O4 S 13071 11910 10561 9909 8138 6520 7464 7329 7374 7526 13944 12833 8749 8366 13880 13779 9450 9425 1 7420 7824 7979 9437 9915 13999 13880 9114 9332 12756 12369 15514 15603 8840 8705 9569 10138 11229 10970 7799 7746 9414 9700 13367 13647 6547 6221 6757 1 12932 11933 9038 8983 7046 7521 11228 12512 7281 6189 12083 1 15856 15936 8129 1 9117 8543 10822 11832 7251 7629 14854 15090 10606 10059 10552 9660 18904 20649 10912 11011 15612 15705 12841 13909 10964 10839 11280 11592 10873 10979 299.1198 *299.1616* 299.1616@9.569796 1 1 10862 1 1 1 1 1 1 1 3715 1 1 1 1 1 7540 1 1 1 1 1 1 1 1 1 1 1 1 6201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4477 1 1 1 1 1 1 1 4735 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1616 *299.1621* 299.1621@9.635353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1621 *299.8932* 299.8932@0.83941895 1 1 1 1 1 1 1 1 15604 1 7830 1 1 1 1 15933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16166 1 15321 1 1 1 1 1 1 1 1 1 1 1 1 1 16434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.8932 *300.0263* 300.0263@4.866509 1 1 1 1 1 1 9478 8242 7154 1 3462 1 1 6317 1 1 1 1 10403 11043 1 1 1 1 10356 10268 1 1 1 3188 1 1 1 11386 1 1 1 1 1 1 1 1 1 1 14911 12487 1 1 1 1 12839 12546 1 1 1 1 14349 13505 1 1 1 1 1 1 5341 1 14279 6620 1 1 1 12896 14011 16081 1 1 15605 15253 15824 15586 1 14938 1 1 18880 19606 13186 13621 1 1 300.0263 *300.0264* EMODIC ACID 3344 3203 4318 4053 3730 3005 1 1 2623 2494 2921 2924 2903 2657 3196 3088 3193 3059 2980 3626 3953 5019 3974 4571 3297 3092 4181 4846 4568 4995 4485 4724 3851 4033 4472 4463 5356 6562 6708 7105 7875 7754 7308 6732 4330 4334 1 17707 7054 5978 4324 1 9845 9643 7677 7473 5432 6054 10291 11876 1 1 9764 10942 8456 8315 6064 6049 10595 10026 6428 7924 9688 9134 10683 10199 7168 7746 7299 5763 10348 10412 11720 10878 5873 5928 4760 4800 1 1 300.0264 *300.0265* EMODIC ACID - 4.837887 7115 7850 6450 7226 6846 7731 1 1 1 6243 3302 6987 5848 1 7908 6916 8582 6960 1 1 9894 9599 8830 9245 1 1 10085 10233 9251 7391 8921 8839 11468 1 8427 8522 9704 10042 11464 10968 11461 11902 12439 12188 1 1 15509 1 11971 10207 1 1 13535 12202 11294 12242 1 1 15819 14185 16809 16445 15925 15074 8772 12020 1 7929 12884 12012 12174 1 1 1 10997 10990 1 1 1 1 18129 1 17907 15974 1 1 1 1 31875 31303 300.0265 *300.0488* 300.0488@5.446183 1 1 1 1 1 1 1 1 1 1 4985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0488 *300.0585* 300.0585@7.7884846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4314 3547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0585 *300.1147* 300.1147@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1147 *300.1178* 300.1178@5.3382454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 2441 300.1178 *300.1297* 300.1297@3.6501904 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3660 3696 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1 1218 1 1 2090 2959 1 1 3937 3806 1262 1466 1 1319 300.1297 *300.1541* 300.1541@8.446078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 2454 2810 2882 3474 3079 1 1 1 1 1 1 1 1 1 1 2480 2513 300.1541 *300.1591* 300.1591@9.527301 1 1 1 1 1 1 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1591 *300.2279* 300.2279@10.660309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2722 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.2279 *300.229* 300.229@13.230983 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.229 *300.2627* 300.2627@12.058431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6389 3236 3255 1 1 2801 3150 2062 7311 1 1 1 1 2730 1 2882 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 3372 2980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 300.2627 *300.263* 300.263@11.845562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.263 *300.2637* DL-11-hydroxy stearic acid 1 1 1 1 2623 1 1 2411 1 2253 2897 2603 2417 1 1 1 1 1 1 1 1 2526 1 2423 1 1 1 1 2580 2809 6515 2593 2938 3207 2728 1 3255 3430 7236 2354 2538 2356 2900 2997 2372 1 3124 3529 2217 1 4026 3330 2451 1 2355 2348 2555 2820 2307 3482 2799 1 1 1 3210 2697 2661 3250 1 1 1 1 2626 2869 2410 1 1 1 1 1 1 1 2160 1 1 3164 1 1 3643 4031 300.2637 *300.2652* 300.2652@11.83456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2883 1 1 1 1 2276 2956 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 2865 1 1 1 1 1 10197 9290 1 1 1 1 1 1 4961 4688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.2652 *301.0365* 301.0365@0.9059688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0365 *301.0442* C11 H11 N O9 9020 1 4963 1 5561 5424 1 1 6149 5666 1 1 1 1 1 1 1 4450 5539 5187 4104 1 1 1 1 1 1 3347 4119 1389 1 1 2589 1 6410 1 4869 1 6352 2207 5835 5665 5523 1 1 1 1 5294 4614 4242 1 1 1 1 5432 1 1 1 5002 4268 5671 1 1 1 5797 5285 1 6349 1 1 6158 5378 5454 5299 1 1 4489 4643 1 1 1 1 1550 4901 1 1 1 6728 1 1 301.0442 *301.0444* N-Acetylgalactosamine 4-sulphate 1 7344 1 1 1 1 12163 12817 1 1 4501 7218 1 1 1 3670 4655 1 1 1 1 1 1 1 1 1 1 1 1 2049 8036 8060 6083 7839 1 6155 1 5420 1 4541 1 1 1 5345 6247 5878 4693 1 1 1 9111 8947 4297 4387 1 5804 8212 7823 1 1 1 4991 7062 6742 1 1 5869 1 1 1 1 1 1 1 4597 4100 1 1 29442 29683 8948 7937 3111 1 9925 10177 7022 1 6794 6161 HMDB00781 C16265 301.0444 *301.0521* C22 H7 N O 1 1 1 11580 9971 1 1 1 1 8874 9496 8471 1 1 8430 9003 7507 6852 7187 8184 7164 6563 6242 5843 5732 5531 6403 6091 6048 3855 5289 5673 5629 5863 6437 5788 6150 6615 6274 6202 5645 1 6508 8070 5318 5731 3397 3569 1 5459 4425 4730 1 5461 6684 5569 5293 5771 1 3955 6356 3953 5294 4734 4920 4527 4145 3992 5396 5019 1 5863 4400 4985 1 1 3053 1 2135 4364 1 3736 1 3663 3963 1 4824 3017 1 1 301.0521 *301.053* 301.053@3.174893 6597 7567 12755 1 1 8497 1 1 8556 1 1 1 5451 4757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 5664 1 1 1 1 1 1 1 1 1 1 5258 1 1 1 1 1 3916 1 1 1 1 1 1 1 1 1 1 1 3059 1 1 1 1 1 1 1 1 1 3947 1 4174 1 1 1 1 1 1 1 301.053 *301.0903* 301.0903@6.688811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0903 *301.1163* 301.1163@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1163 *301.8994* 301.8994@0.8432506 1 1 1 1 1 1 1 1 1 1 4353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3545 1 1 1 1 1 1 1 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 301.8994 *301.9022* 301.9022@0.82082534 1 6575 1 6031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6276 6031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6012 1 1 1 5918 1 5978 6245 6405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5551 5537 1 5404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.9022 *301.9038* C7 H5 Cl3 N2 O3 S 2661 1 6411 1 5942 9241 6924 7055 6071 5997 1 5306 6316 5904 6261 6479 6308 6228 1 6527 1 1 6309 6232 6743 6203 6472 6118 5970 2901 6455 6179 1 6149 5959 5926 1 1 5596 5999 1 6040 1 1 1 3502 6203 1 6428 6700 6781 4019 1 6498 6448 6427 6635 6745 6280 6145 1 1 5503 1 6065 8444 7472 6299 7471 4258 6289 6388 6048 6106 6239 6685 6739 1 5934 6364 1 6531 5864 6003 6492 6645 6700 6338 6006 5833 301.9038 *302.0068* 302.0068@14.7242 1 1 1 1 1 1 1 1 1 1 7238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13195 23016 1 8230 1 1 1 1 27001 1 1 5299 10308 1 1 1 14337 3486 1 1 15956 20098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6288 1 1 11124 1 1 1 1 1 1 6024 7580 1 1 1 1 1 1 302.0068 *302.0068* 302.0068@8.458036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0068 *302.0072* 302.0072@10.280987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0072 *302.0073* 302.0073@13.553217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12652 6735 1 9424 1 1 1 1 1 1 1 24449 1 1 1 5130 1 1 1 1 1 7270 17767 13488 1 11723 1 1 15655 1 1 1 1 1 1 1 1 12695 1 1 1 1 1 1 1 1 1 1 8863 1 1 1 1 7564 302.0073 *302.0073* 302.0073@13.347028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24854 302.0073 *302.0073* 302.0073@10.269881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10622 1 1 1 1 1 1 1 5619 1 1 8459 1 1 1 1 1 1 1 1 1 10848 1 1 1 1 1 1 12243 1 1 1 7835 1 1 1 1 1 1 1 17372 1 1 1 1 1 1 1 13391 1 1 1 1 1 1 1 1 1 1 1 1 8497 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0073 *302.0075* Ellagic acid 1 1 10528 5195 1 6024 3657 1 1 1 3568 1 1 1 1 1 1 18321 1 1 16192 15665 1 1 1 10926 1 1 10279 5737 17516 1 7875 1 1 1 1 11203 18317 1 1 1 16362 1 1 17807 1 1 2440 21226 21618 18954 20603 1 23004 20202 16081 20057 7999 22029 1 17776 24266 25297 1 1 11720 1 17559 1 10020 1 23500 22778 1 22043 5795 15951 20527 12913 18227 1 24858 2999 1 1 8929 22664 1 1 HMDB02899 C10788 302.0075 *302.0075* 302.0075@11.081657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9566 1 1 6973 1 1 1 1 7554 1 1 1 1 1 1 1 1 1 1 1 1 5142 1 1 17557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0075 *302.0075* 302.0075@14.871825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0075 *302.0078* Ellagic acid - 3.0542476 7686 10425 1 4580 12242 4087 4403 6016 15883 15163 1 10911 14832 11603 16891 15486 17519 1 1 15310 1 1 14123 12035 3118 1 11925 13859 1 2154 1 13054 3245 11681 17834 12462 12586 4811 1 17130 17371 12177 1 19659 18555 1 11468 11559 15847 1 1 1 1 19234 1 1 1 1 5773 1 21912 1 1 1 21621 20740 1 16862 7686 22818 4562 18457 1 1 22192 1 9759 4893 1 5927 1 17677 1 1 15352 16720 12215 1 17499 18045 HMDB02899 C10788 302.0078 *302.0156* 302.0156@2.994683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0156 *302.0734* 302.0734@6.5853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2095 2249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0734 *302.0804* 302.0804@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0804 *302.0892* 302.0892@5.244995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138055 136638 1 1 1 1 302.0892 *302.1111* 302.1111@8.382763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11973 12727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1111 *302.112* 302.112@8.285385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 738995 716562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.112 *302.2233* 302.2233@12.650215 3441 3500 1 1 1 1 1 1 1 1 5672 5728 1 1 1 1 1 1 7133 7385 5497 5611 5828 5508 1 1 1 1 5301 5505 4736 5317 1 2867 1 1 2935 3208 3518 3819 1 1 5966 5512 13027 12923 7658 7814 1 1 7246 7224 1 1 1 1 1 1 2751 2810 1 1 1 1 8892 9260 1 1 1 1 12566 12474 1 1 1 1 3435 3854 3062 3986 1 1 1 1 1 1 1 1 7016 6747 302.2233 *302.2442* 302.2442@14.152461 1 1 1 1 1 1 1 34290 1 26659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.2442 *303.0625* 303.0625@1.1072233 4220 4010 1 1 2675 1 3043 3333 1 1 1 1 1 1 1 1 1 1 7481 1866 2693 2612 1 1 2367 2704 1 1 2520 3855 1 1 3165 3339 1 1 5034 1 1 1 1 1 1 1 1 1 1 1 1 4510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6894 1 3415 1 1 303.0625 *303.075* 303.075@0.9863215 1 1 1 1 1 1 7255 7552 1 1 1 1 1 1 1 1 1 1 1 4363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 3861 1 1 1 1 1 2142 1 1 1 1 303.075 *303.0906* 303.0906@5.329829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2471 3182 1 1 1969 1926 1 1 1 1 1 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.0906 *303.8468* C4 H7 Cl3 O S4 7471 7255 6785 6372 6830 6414 1 6530 6633 6748 7157 6897 1 7332 6496 6983 7198 7376 5812 6902 6547 9435 6627 1 6712 7490 7604 6911 6747 5753 6902 7032 7635 7019 7210 7793 7144 6894 7586 7324 6880 6260 7109 6949 6938 6597 6750 7172 6118 6618 6533 6679 7025 7136 7319 7241 7223 7241 6607 7207 7448 7630 7384 7297 7031 7220 10516 6992 8978 6913 7346 7010 7022 7406 6856 7137 7741 7088 8067 8297 6680 7576 6800 6915 6938 7901 7782 7380 6983 6778 303.8468 *303.9582* C8 H8 N4 O S4 5972 6016 7244 6874 7584 7451 8217 8191 6768 7086 6321 5791 7526 7319 7440 7378 7299 7436 7424 7373 5451 5670 7132 7659 7025 7152 7580 7170 7042 7285 6694 6798 7384 7554 8509 7780 7619 7462 8458 7822 7445 7949 7998 7717 7072 7749 8931 8012 7931 8313 7305 7503 7749 7658 8448 7610 8758 8873 8927 8543 7519 7800 7096 7585 6363 6986 7553 7738 7550 8528 7713 7883 7884 8051 8322 8307 7571 7713 7792 8896 8125 8304 7953 8011 8337 7133 8747 9055 7939 7840 303.9582 *304.0055* 304.0055@14.574905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8451 1 5468 1 304.0055 *304.0059* 304.0059@10.372508 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1 1 4253 1 1 1 1 1 1 1 1783 1 1 1 1 8232 1 1 1 1 1 1 1 4618 1 1 1 1 1 3639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0059 *304.0063* 304.0063@3.0511405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2281 1 1 5877 1 1 1 1 1 1 1 1 4297 1 1 1 1 1 5518 1 1 1 1 1 1 6622 1 1 1 1 1 1 304.0063 *304.059* 304.059@1.1020879 19958 18827 17549 1 10908 10717 1 1 1 1 1 10826 1 1 1 6614 5239 1 1 9673 11687 4840 1 1 11114 1 1 10093 12415 21856 9709 1 14750 13780 9553 8589 4295 5248 1 3933 9943 1 1 1810 1 9471 11824 1 1 3445 1 1 5009 28580 1 5409 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7881 1 1 8792 304.059 *304.0597* Dihydroquercetin 1 1 1 6291 1 1 12622 12677 3834 4667 10060 4861 8645 9123 6401 1 1 4975 7650 1 1 9034 6207 5765 1 11217 10156 1 1 13917 1 11212 1 1 1 1 1 1 4039 1 1 11297 1 1 3659 1 1 1 3850 1 3365 3417 1 1 5554 1 7891 1 1 1 1 1 1 1 3573 3500 1 1 2834 1 4294 4504 4310 4115 1 1 1 1 13997 4452 2944 2652 1 1 6667 5810 1 7864 10992 2397 C01617 304.0597 *304.0677* 304.0677@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0677 *304.0745* 304.0745@0.92060935 1 1 9375 1 1 1 1 1 1 1 1 1 9722 1 1 1 1 1 1 1 1 11420 1 1 1 1 1 1 14542 7277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0745 *304.0766* 304.0766@0.9246893 1 1 1 9727 1 5195 1 8763 1 1 1 1 1 1 1 7767 1 1 1 1 1 1 1 1 7966 1 1 1 1 4047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0766 *304.1512* 304.1512@8.323587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 3334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1512 *304.1661* 304.1661@8.976472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4819 3534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1661 *304.2387* 4Z,7Z,10Z,13Z-eicosatetraenoic acid 15758 15710 12406 11728 20051 19970 11474 11473 9339 8635 15222 14946 14888 15333 3791 3210 4111 4573 21408 21515 29233 29725 17483 18295 9116 7869 11881 11755 34232 33792 64954 64791 17598 19717 11836 10235 54262 53961 60132 59671 5927 7494 62188 54317 39023 37783 46656 46734 10520 11400 145257 131820 8386 9538 15620 13154 50613 51032 38372 40959 16344 15939 7870 7934 21026 20932 17666 18114 18352 17560 27826 27763 14672 14351 20250 20752 41804 40904 29143 30967 18438 19272 25803 26144 19617 20441 4388 4479 166053 162858 304.2387 *305.0773* 305.0773@1.057064 1 1 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.0773 *305.0778* 305.0778@0.9510351 1 1 1 1 1 1 1 1 1 1 4598 3370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.0778 *305.0782* C8 H19 N O9 S 5495 6716 6084 4262 4855 4538 1 2863 3840 1 4559 5602 5249 4444 7119 8134 3809 3559 7101 5373 6682 7098 4704 4854 6359 5917 5127 5012 7641 5592 4019 3505 1 1 1 1 3634 4261 4182 4469 4400 4333 1 1 2718 2715 3462 3269 3253 3900 1 1 3337 3040 3008 2934 3384 5161 3496 3331 3782 3853 1 1 1 1 1 1 3600 3763 1 1 1 1 3076 3932 3093 4070 4669 3951 3773 3530 1 1 1 1 1 1 1 1 305.0782 *305.8387* 305.8387@0.852933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.8387 *305.8408* C5 H3 Cl O3 S5 7073 6991 6616 7042 6755 6739 6978 6702 6511 6514 7298 10227 7109 7085 6523 6976 6870 7002 6494 6877 7063 6669 6544 7101 6721 7106 7220 7201 7082 1 7444 7299 9557 6666 7465 7733 7051 7213 6745 7040 6308 6815 6583 7083 6416 6793 6739 7069 6275 6402 6646 6633 6840 7151 7120 7067 6795 6996 6826 7410 7446 1 7557 7159 1 7084 7311 7024 6648 6313 6732 7297 7381 9175 9612 7798 16866 7291 7992 7501 7082 6944 8057 7758 7271 7161 7695 7539 6821 6618 305.8408 *305.9207* C13 H3 Cl O3 S2 72212 69929 86784 100675 107288 108307 92783 93155 107087 110178 110239 102904 109594 121730 121631 121405 126645 107422 124348 120381 130718 131480 124959 123087 113264 98549 110968 105033 93614 93322 140869 141252 114219 111245 101564 98792 104765 101815 116577 113523 107871 110749 121119 108015 110885 109729 117015 113542 125291 112425 138686 143132 111475 134435 121294 119877 139325 142579 109589 111617 87827 87961 90531 88411 148303 145649 129970 131431 165879 141516 121960 120367 105197 109758 147480 152735 123444 121937 123578 123494 110399 108947 106328 93937 125633 122690 121282 113564 105257 106793 305.9207 *306.0693* 306.0693@3.6753554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4211 4093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1702 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0693 *306.0745* 306.0745@1.0209184 1 1 1 1 1 24112 1 1 1 17594 11212 26999 1 1 1 1 1 1 1 28446 4576 1 21087 20428 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10170 10172 1 1 1 1 1 1 1 1 18077 18315 1 1 14602 6042 3754 2979 1 1 306.0745 *306.0747* EPIGALLOCATECHIN 26209 27048 22580 19483 23328 4030 16672 17128 12785 3139 20199 16225 23742 21697 30797 30130 18453 15720 26600 4185 20696 25681 3975 4315 28064 27023 26590 25114 26583 25813 23827 20165 10918 11400 13634 14289 21472 22185 17800 17943 22301 22446 8191 1 13460 14522 17267 16458 11955 17098 11022 15198 15991 15233 15843 15440 16290 16352 17395 17190 18552 18620 11159 10273 1 2100 10270 11184 16924 17262 1 1 1 1 15204 16187 11426 10414 16630 16966 5872 6800 6477 6545 6997 14496 17253 16392 12922 13502 306.0747 *306.086* 306.086@1.0293347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 5044 3637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9103 7723 1 1 1 1 1 1 1 3187 1 1 13363 17401 1 1 1 1 1 1 1 1 1 1 1 1 306.086 *306.0914* 306.0914@1.0004902 1 1 1 1 1 1 8466 8127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14267 11962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0914 *306.1023* 306.1023@5.210907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67051 63878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1023 *306.1028* 306.1028@5.2470884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1028 *306.1039* 306.1039@0.9373432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10852 10383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9784 11011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9334 8616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1039 *306.1114* 306.1114@2.2585063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3461 1 1 1 306.1114 *306.1808* 306.1808@9.043187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1808 *306.2542* 5Z,11Z,14Z-eicosatrienoic acid 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4695 4869 1 1 1 1 1 1 4523 2640 6591 6779 1 1 1 1 7114 7380 7015 6774 1 1 5463 5065 5064 4755 3951 4928 1 1 13814 14870 1 1 1 1 3467 4141 3675 3861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 3533 1 1 2721 1 4567 5042 1 1 22433 3002 306.2542 *306.2543* 306.2543@13.89732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3609 3414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 20020 306.2543 *307.0648* 307.0648@4.9413986 1 1 1 1 1 1 1 1 1 1 3087 7986 1 1 1 1 1 1 1 1 1 3158 1 2357 1 1 1 1 1 1 1 1 1 1 10908 10502 1 1 1 1 2330 1 1 1 2275 2258 1 1 1 1 1 1 1 1 1 1 1 3963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2829 2990 1 1 9985 13835 1 1 307.0648 *307.0653* 307.0653@4.936744 7842 7997 1 1 1 1 1 1 1 1 4803 1 1 1 1 1 1 1 4688 4597 2591 1 2984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 2434 1 1 1 1 9821 10354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4420 1 1 1 307.0653 *307.074* 307.074@3.1700728 4761 1 7848 7504 7075 1 1 1 6153 1 1 1 1 4271 1 1 7096 6575 5784 1 1 1 5338 1 5123 1 1 1 1 1550 1 1 4859 5078 5407 1 1 1 1 5639 5709 5388 1 4405 4619 4391 1 1 1 1 4708 1 4773 4711 1 1 1 1 1 1 1 1 5186 5133 1 1 1 1 1 1 3806 4028 4590 4533 1 4126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.074 *307.0744* C20 H9 N3 O 1 4608 1 1 1 7102 1 1 1 6887 6574 6165 3588 1 6008 6150 1 1 1 5395 5623 6009 1 5539 1 5102 4383 4817 4705 2816 5353 5244 1 1 1 1 4910 5407 5313 1 1 1 4854 1 1 1 2656 2655 4286 4341 1 4274 1 1 1 4565 3694 2796 1 2565 1 2630 1 1 2437 4271 3192 3258 1 4118 1 1 1 1 1 1 2498 1 1 3415 1 1 2207 1 1 2785 1 1 1 1 307.0744 *307.0832* 307.0832@1.023061 1 1 1 1 1 1 1 1 1 1 1788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0832 *307.0883* 307.0883@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0883 *307.0922* 307.0922@0.9710054 1 1 1 1 1 1 1 1 2932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0922 *307.105* 307.105@0.8937793 1 1 3518 1 1 1 1 1 1 1 2361 1 1 1 4486 5693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.105 *307.8384* 307.8384@0.84824866 2843 2624 1 1 1 1 1 1 1 1 2643 1 1 1 1 1 1 1 1 1 1 1980 1 1 4712 1 1 1 2461 1 2303 1 2459 4164 1 1 5053 8866 1 1 1 1 1 2846 1 1 1 2264 1 1 2183 1 1 1 2535 2324 1 2247 1 8836 1 3073 2745 4631 2438 1 1 2514 1 1 1 1 1 2766 1 1 1 1 2690 1 2609 1 1 16323 9304 9678 1 1 1 1956 307.8384 *307.923* 307.923@0.7769396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.923 *307.924* C6 H9 Cl O6 S3 - 0.8556574 14500 18499 1 13653 11003 11122 13074 12035 1 14809 11817 15858 16375 11678 15198 12511 13377 15869 1 10949 13081 13288 16750 16268 18062 1 13523 1 18078 19017 10528 11458 1 17026 10239 14554 10972 18318 1 1 11215 12644 17619 14266 1 11768 1 1 16037 15823 1 11115 1 9826 1 12993 1 1 11524 14280 10749 17341 13409 10395 10397 15147 19113 34028 12846 11939 13981 1 17236 1 15449 12232 14937 33606 16383 16331 1 11579 16088 11967 14979 15568 16031 1 10882 11575 307.924 *307.9254* C6 H9 Cl O6 S3 14421 11587 39162 1 15982 11308 11121 16814 17932 18234 12439 15622 17528 1 20340 16099 1 13256 34607 19738 22459 15424 18098 16765 1 39525 16538 35832 14368 17150 19559 21131 32492 17669 16138 16568 17682 11342 11327 13891 25879 21470 1 18469 34206 15623 16497 34198 1 13882 1 24602 37089 1 32232 29282 31928 22988 18235 18561 14409 9456 12414 16291 18114 19514 19403 1 1 28426 11686 33428 19773 18215 1 1 14796 1 10719 10051 34336 21555 1 17509 16507 1 1 14943 17989 17851 307.9254 *308.0341* 308.0341@6.2597914 1 1 1 1 1 1 4498 5711 1 1 1 1 18437 18168 1 1 1 1 1 1 1 1 13468 13084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5843 6298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0341 *308.0415* 308.0415@1.2812015 2400 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 2879 1 2148 1 1 1 1 4168 4208 2410 1 1 1 1 2056 1 1 2216 2233 3775 3777 1628 1930 2033 2454 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 2048 1 1 1 2014 1 2061 1 1 1 1 1 1 1 1 2092 1 1 1 1 1 1 1667 1 308.0415 *308.0486* 308.0486@1.2735837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4658 4542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0486 *308.0564* C15 H8 N4 O4 1 1 1 1 1 1 5976 6104 1 1 3704 3723 1 1 1 2938 1 1 3741 4216 1 3698 3111 1 4341 4420 3846 3823 3374 3833 3395 3532 4442 4451 4160 3685 3288 3805 3500 3620 3483 2981 3632 3797 6084 5353 1 1 4063 3978 5436 6055 1 1 4632 3917 5701 5541 2891 2817 1 1 3202 2656 4314 4363 5354 5228 4087 4317 4786 4524 4249 4072 3658 3819 5008 5663 5089 5549 4572 4746 3464 3353 6186 6525 7889 6216 2497 1 308.0564 *308.0712* 308.0712@3.5164254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2329 2368 1 1 1 1935 1 1 1 1 1 1 1 1 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 3554 1 1 3067 2792 1 1 1 1 1 1 1 1 2912 2953 1 1 5823 5225 1 1 1 1 308.0712 *308.0795* 308.0795@0.9050101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0795 *308.0886* 308.0886@0.9881279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 1 1 1 7443 1 8368 1 1 308.0886 *308.0899* C15 H16 O7 3099 5065 6427 6249 8314 6895 33652 1 13717 14061 7475 8447 8684 6302 3850 3635 7719 16845 12876 1 1 1 10127 1 1 3979 1 3814 1 2455 4075 4079 4940 4731 1 5771 17096 2275 1 1 7908 6383 1746 1 1 2313 1 4418 5093 4786 1 1 1 1 1 1 6234 5281 1 1 1605 1631 2204 1 1 1 1 1902 1 1566 1 2336 1693 1 3376 3598 2530 1 8448 1508 6501 6218 1 1522 9279 38953 8898 26443 1 1 308.0899 *308.0901* C16 H20 O2 S2 - 1.0644261 11601 11383 10786 10804 8270 11738 19182 16892 12339 12056 5499 12140 8503 9123 8985 9013 13170 13717 9048 8822 6011 5417 11303 10794 11206 10354 8787 8384 6470 4829 11442 9507 7583 7075 7026 7063 8416 8180 2913 1 7498 8501 14555 14795 11787 9212 7515 7255 11603 11398 11831 11603 5921 6178 6641 7204 8330 8860 6817 1 8013 7437 4312 6650 13133 12596 7437 8362 6851 5631 1 1 1 1 5829 5434 1 1 11498 11143 7427 5656 11218 10870 11886 9960 7904 8307 7398 8280 308.0901 *308.0903* C16 H20 O2 S2 4547 3377 1 1 5810 1591 1600 34363 1074 1 4176 1 1895 1715 3696 3604 2516 2794 1578 11208 4969 4922 2230 10467 3798 3744 4654 2767 5734 6178 1989 1758 4334 2491 3988 1460 1658 1956 24578 1 1533 1 5253 21110 14345 1 2507 1316 1511 1625 2575 3312 4154 4198 2461 7780 1 1 1 1381 4547 4666 1 2451 1 1 1 2566 1 1264 3401 1420 1620 1616 1606 1974 1937 4476 1586 6514 2279 2631 1575 2701 1480 1508 1983 2415 1601 1 308.0903 *308.1033* 308.1033@0.90099925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1033 *308.1086* 308.1086@0.9074824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8323 8779 308.1086 *308.1173* 308.1173@0.90557677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2538 1 1 5490 8987 1 1 7275 4772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8385 8854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1173 *308.1569* 308.1569@0.83225787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5390 4755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2551 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1569 *308.1601* 308.1601@8.960224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 4074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1601 *308.1604* 308.1604@7.948654 2478 2401 3386 3797 1 1 5661 5653 3969 4289 4349 3359 2828 3608 1 1 4292 4086 1 1 1 1 7791 6966 1 1 1 1 1672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1604 *308.2694* 308.2694@14.342389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 3421 1 1 1 1 1 1 4010 3105 5205 5186 3164 2369 1 1 4508 4646 9301 9647 1 1 1 2381 1 3141 2556 1 1 1 6772 6770 1 1 1 1 3934 3823 4135 4412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4926 4379 1 1 1 1 4418 4659 1 1 14491 16229 308.2694 *308.9213* 308.9213@0.7889655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2896 1 1 1 1 1 1 1 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 3058 1 1 1 1 1 3466 1 1 1 1 1 1 1 1 1 1 1 1 308.9213 *309.1055* 309.1055@0.9132451 1 1 1 1 1 1 4766 4275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 3165 1 1 1 1 1 1 1 1 1 1 309.1055 *309.141* 309.141@0.83110744 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1342 1 1 1 1 1443 1 1 1 1301 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.141 *309.8106* 309.8106@0.84398824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.8106 *309.9137* C5 H10 O5 S5 2306 3173 1 1 3223 2924 2846 2816 3616 3719 3770 4186 2931 1 3565 4266 1 3812 4007 4278 3954 4596 3981 4730 1 1 3692 3231 2926 3438 5430 4939 3227 3864 3134 3033 3600 2964 3976 4283 3130 1 1 3583 3259 1 4419 3597 1 3294 6104 1 1 1 1 1 4741 5264 3394 3919 2965 1 3353 1 4544 1 4446 4295 1 1 1 4051 3151 3517 1 1 4310 4255 4133 4108 3757 1 1 1 4018 4531 1 5491 3683 3596 309.9137 *309.9191* 309.9191@0.8231642 1 1 1 6800 1 3615 1 1 1 1 1 1 1 8135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6735 1 1 1 1 1 1 309.9191 *309.9216* C5 H6 N6 S5 1 3497 1 4680 3326 4187 12060 3652 3101 1 4066 1 1 3613 1 3434 4075 3662 1 4061 1 8709 1 1 8874 1 3547 1 4370 1 3635 1 1 1 1 1 4141 4304 8039 3726 1 5631 7492 3798 1 3958 3886 1 11630 9312 1 1 1 1 7994 1 1 7733 5226 1 3354 6245 3948 3444 3411 1 1 4749 1 1 10314 1 1 3831 1 4058 4562 1 3960 6570 1 4519 6683 4413 4099 1 7456 5084 3755 1 309.9216 *309.972* 309.972@3.8543482 1 1 10221 10047 1 1 9457 8440 1 1 2774 2666 4365 1 1 1 3797 1 4546 1 3804 3481 1 1 1 1 1 9009 8977 5774 1 5910 11013 1 1 1 5272 5787 1 1 1 1 1 6724 1 4425 1 1 1 1 8940 9088 7014 1 1 7363 1 1 1 1 9040 2597 1 1 3181 3186 6693 6580 1 1 1 1 1 1 3005 1 1 1 1 5260 6893 6948 1 1 1 3236 1 5118 4157 1 309.972 *309.9721* 309.9721@3.8450263 3718 3980 1 1 9203 8958 5033 5101 1 1 1 1 1 4755 1 1 1 3523 1 4385 1 1 1 1 1 1 9286 1 1 3100 5527 1 1 11124 5775 6132 2910 3304 1 1 8206 8226 5847 1 4385 1 9037 9153 1 1 1 1 1 7100 7171 1 1 1 3296 2868 1 1 4327 4438 1 1 1 1 1 1 1 1 1 1 1 2978 1 1 5134 1 1 1 1 1 3544 1 4963 1 1 4127 309.9721 *310.0157* 310.0157@6.2589607 1 1 1 1 1 1 2366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.0157 *310.0497* 310.0497@6.195595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11018 11352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.0497 *310.0551* 310.0551@0.9829005 2306 2147 1 1 2767 2705 13665 12665 2154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8643 7467 1 1 1 1 310.0551 *310.0641* 310.0641@0.9685546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5084 4988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.0641 *310.0805* 310.0805@8.501009 1 1 1 1 1 1 3790 4134 1 1 1 1 1 1 1 1 3830 3827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3929 4363 310.0805 *310.0839* 310.0839@4.0140777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3292 3441 1 1 1 1 1 1 1 1 1 1 310.0839 *310.0975* 310.0975@0.91298485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3359 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4329 1 1 1 1 310.0975 *310.1026* 310.1026@0.9096545 2763 2782 4132 3317 3134 2978 10023 10259 2592 1 1 1 1 1 1 1 1826 1792 1 3095 1 1 1 1 1 1 1 1 1 1 1 1 2915 3153 1 1 1 1 1 1 1 2675 1 1 1 1 1 1 1 1 4872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4694 5225 1 1 1 1 3618 1 2338 1 1 1 310.1026 *310.107* 310.107@7.193801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59039 59496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23179 23393 1 1 1 1 1 1 64495 72869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67632 70174 310.107 *310.1071* 310.1071@6.4961176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23525 20707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11168 11627 1 1 1 1 1 1 16632 16434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20623 20513 310.1071 *310.1127* 310.1127@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1127 *310.1252* 310.1252@3.9138188 1 1 1 1 1 1 1 1 1 1 1 1 30288 30847 1 1 9433 9072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1252 *310.1756* methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2909 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 3029 1 1 3028 3923 1 1 3430 3893 1 1 4266 1 1 1 1 1 1 4379 1 1 4378 4093 1 1 3614 3868 3625 1 3884 4374 1 1 1 1 1 1 3552 3429 3966 3966 1 3627 2715 1 1 1 5643 5911 7255 7300 4233 4511 4707 4462 3538 4232 1 3812 3903 4323 310.1756 *310.1759* 310.1759@8.699534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 1 1 1 3925 1 1 2388 1 1 1 1 1 1 1 1 1 1 2206 1 1 5533 5161 1 1 1 3563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1759 *310.2073* 310.2073@10.291946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4169 5221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2073 *310.212* 310.212@10.127412 1 1 1 1 3400 3121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 1 1 3925 4241 1 1 1 1 3975 1 1 1 1 1 1 1 1 1 1 1 4239 3750 1 1 1 1 1 3628 1 1 1 1 3163 3438 14547 15834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3128 3555 1 1 3143 2790 310.212 *310.2132* 310.2132@10.492105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 3462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2132 *310.976* 310.976@3.1254926 1 1 1 1 1 1 9851 9756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.976 *311.0689* 311.0689@0.9309872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.0689 *311.119* 311.119@0.86101675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.119 *311.9369* C7 H8 N2 O4 S4 8351 7622 8340 9354 8500 10787 10187 8737 8745 9762 8541 10673 10456 9098 9236 9491 9796 9560 9534 8745 10249 11229 9073 9902 10600 8979 9349 9595 9069 8854 10399 10877 11862 10713 10467 9195 9695 10248 9008 9559 13315 10394 9203 10335 10120 10024 10657 9570 9607 11042 11037 10763 9741 9358 11472 10299 10810 11471 10129 10322 9356 10021 9971 9614 10523 10834 11319 12291 11774 11677 11529 12092 10135 10746 11009 10871 10988 11438 10032 10447 10491 11631 9914 9749 9894 10792 10381 10272 10522 10315 311.9369 *312.026* 312.026@5.3743067 1 1 1 1 1 1 4485 4844 1 1 1 1 1 1 2993 3081 1 1 5207 5054 1 1 1 1 1 1 1 1 3879 2211 1 1 9644 9621 1 1 10682 11161 1 1 1 1 1 1 3116 3265 1 1 1 1 1 1 4197 4298 1 1 1 1 1 1 9412 9444 1 1 1 1 3463 3512 1 1 1 1 4180 4050 1 1 1 1 3140 3503 1 1 1 1 2578 1 1 1 1 1 312.026 *312.0764* 312.0764@3.8348882 1 1 1 1 1 1 3558 3496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 2639 312.0764 *312.0791* 312.0791@6.136861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.0791 *312.1396* 312.1396@0.8600011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1396 *312.1466* Phe Phe 1 1 1 1 1521 1 1 1571 1 1212 1597 1636 1318 1498 2086 1896 1510 1 1 1 1 1 1 1252 1881 2029 1563 1435 1810 1987 1 1393 1 1 1477 1627 1953 2101 1 1 1488 1 2683 2200 1535 1451 1 1 1796 1821 1 1 1 1 1598 1827 1 1 1 1 3178 2736 1764 1718 1398 1604 2111 2070 1536 1 2225 1989 1966 1891 1235 1265 1612 1696 1 1522 1696 1875 1322 1279 2061 2253 1760 1 1 1 312.1466 *312.1562* C20 H24 O S 5833 5643 5777 6571 8813 8655 5617 6213 6030 6278 9891 9998 4858 4773 5067 4891 31605 31895 7150 6939 13953 14901 15474 14445 14418 14120 11333 10661 12162 12248 8874 9478 1 1 7922 8139 9377 9584 9502 9085 7485 7505 9273 8991 8541 8390 10085 10954 8333 8163 9116 8847 13721 14916 8167 8673 12818 12610 14426 13536 8803 8593 1 1 29359 27722 10308 11390 9116 9613 13023 13068 10515 10041 14813 13802 12681 12460 1 1 9934 10041 9696 9982 11465 12813 12934 13070 12798 12992 312.1562 *312.1741* 2-Hydroxyethinylestradiol - 13.812337 8361 10563 1 1 12533 11015 6859 1 1 1 8322 1 1 1 1 9118 1 1 10254 10942 12099 10832 1 10053 1 10008 8440 8224 10542 15387 11014 10811 8244 6527 1 1 9446 12450 18737 15779 1 1 9317 10346 12217 10581 10219 8523 1 1 13366 15101 9817 1 1 1 9191 6234 4884 7336 1 1 1 1 1 7037 1 6378 6987 5516 1 1 1 4289 1 1 4836 5328 10032 7822 1 6017 1 1 8313 8639 1 1 13602 18752 312.1741 *312.1741* 312.1741@14.653928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11854 1 1 1 1 1 1 1 1 13030 12813 1 1 1 1 1 1 15874 9184 1 1 1 1 1 1 1 1 1 1 1 14566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7105 1 10738 1 1 1 1 1 7220 8153 1 1 1 11612 312.1741 *312.1742* 312.1742@10.145758 1 1 1 1 1 1 5950 1 9133 1 1 1 1 1 1 6614 1 12685 1 1 1 1 1 472791 1 1 8739 8884 1 11953 13378 1 1 1 472557 1 9096 1 1 473045 1 1 1 10187 14146 1 1 474467 1 1 1 1 14120 11557 1 1 1 1 1 346240 1 1 1 230897 1 1 1 9230 1 1 1 1 10026 1 1 1 294494 1 1 1 1 1 1 1 1 1 7634 1 1 1 312.1742 *312.1742* 312.1742@14.208609 1 1 1 1 1 10801 8182 1 1 1 5953 1 1 1 1 1 1 1 1 1 14037 13737 1 1 1 1 1 1 14424 1 13430 14915 11258 11974 1 1 10925 11078 17233 17757 1 1 1 1 1 1 1 11344 1 1 14736 30690 1 1 1 1 11339 8346 6488 1 1 1 1 1 1 10278 1 1 1 1 1 1 1 1 1 1 5148 1 8516 12447 1 1 1 1 7394 8120 1 1 9594 11950 312.1742 *312.1742* 312.1742@11.299783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1742 *312.1743* 2-Hydroxyethinylestradiol - 14.280895 1 1 1 1 12747 11983 8761 1 1 1 4816 1 1 1 1 1 1 1 10095 13305 15007 13285 1 1 1 1 5020 1 12596 16172 26430 22958 15163 11315 1 1 16605 19117 33114 31515 1 1 1 11462 15578 16082 13981 14601 1 1 32903 15258 1 1 1 1 13723 13162 9429 9417 1 1 1 1 11174 6918 1 1 1 6991 1 1 1 1 1 9004 7327 8047 10740 10338 1 1 1 1 8673 8389 1 1 28547 29963 312.1743 *312.1744* 312.1744@9.824431 1 1 1 1 1 1 6845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1744 *312.1745* 2-Hydroxyethinylestradiol - 10.318296 1 1 1 1 1 1 110043 1 1 1 1 1 1 1 1 104111 1 101568 107327 1 105376 109198 107181 100638 102833 109361 11264 108085 114794 47348 105162 102241 106160 105115 106741 103829 100290 109755 101439 103942 111928 121544 103791 107584 104302 108342 112217 113909 114928 109315 102391 106288 117632 111078 127122 103382 106914 99880 95066 85830 78046 76727 76471 71964 71294 67888 63457 74343 70797 62686 78607 68830 66993 66880 75571 70394 67875 67725 67229 70023 74135 75081 76032 74177 71446 69087 72011 68445 65312 66707 312.1745 *312.1746* 312.1746@10.057196 1 1 1 449609 1 1 9614 1 1 1 140049 1 1 1 1 2662 1 462791 460653 1 1 1 1 8439 1 1 3881 1 1 145781 1 1 469118 1 9023 1 4658 1 1 10845 1 482403 1 1 1 1 1 7248 1 1 1 1 1 1 1 1 473688 1 1 7891 1 1 1 4750 1 1 1 1 1 1 1 1 1 1 1 282690 6063 290662 293651 1 1 1 304637 1 1 297671 303516 1 1 278339 312.1746 *312.1746* 312.1746@10.2626915 94211 99250 102265 100470 106119 92676 6931 106769 109452 98687 92686 112329 106152 109491 106182 437698 107511 1 1 102083 1 1 1 1 1 1 103926 1 1 55837 1 1 1 1 1 1 473177 1 1 10081 1 1 1 1 1 1 1 12805 1 1 1 1 1 1 1 1 1 1 1 6516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5778 1 1 1 1 9709 1 1 1 1 1 1 1 1 312.1746 *312.1748* 2-Hydroxyethinylestradiol 446238 437862 442645 12377 452117 437321 2715 450815 468197 459928 270651 463847 442869 451969 469106 3431 454258 8912 6674 464028 451980 450553 475200 8454 459964 465748 2408 478408 474588 272417 468551 465005 8548 474390 5037 473899 4005 465264 447854 8066 474977 8858 470807 457192 473795 474752 483101 8866 490665 481388 491991 477377 493203 489267 477185 482056 8550 428815 359064 2898 287489 283232 294623 6259 297159 295732 285110 301999 288834 291311 291367 290599 270287 289962 296589 1 5150 1 1 286959 290513 303863 1 280151 303022 1 4988 295595 300659 1 312.1748 *312.1749* 312.1749@10.160822 1 1 1 1 1 1 447218 1 1 1 1 1 1 1 1 9197 1 1 1 1 1 1 1 1 1 1 468094 1 1 1 1 1 1 1 1 1 7518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.1749 *312.1752* 312.1752@13.236331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10149 12101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9224 7009 312.1752 *312.2135* 312.2135@10.652966 1 1 1 1 1 9684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2135 *312.2212* C20 H28 N2 O 1 1 4764 4714 5599 1 8224 8107 6692 5586 8178 6558 1 1 1 1 1 1 1 1 1 7111 1 1 1 1 1 4665 1 1 19342 16801 17523 14309 1 1 5283 4422 1 1 1 4611 1 1 1 1 11904 15010 4232 6274 18377 16475 1 1 1 1 12057 17198 14175 13799 10241 12176 1943 1 10352 14110 5978 7124 4051 1 5136 5470 11191 9399 8978 9159 1 5463 12596 12667 1 2862 4184 1 5633 7232 1 1 1 1 312.2212 *312.2276* 312.2276@9.105058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5327 5074 1 1 1 1 1 1 1 1 1 1 3363 3457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2276 *312.2278* 312.2278@10.652835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30392 38484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28323 27677 54542 57666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18338 20367 312.2278 *312.2988* 312.2988@14.6389065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2988 *312.3213* 312.3213@10.0919285 1 1 1 1 1 1 1 3284 1 1 1701 1 1 1821 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 2541 1 1 1 1 1 4012 1 3056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.3213 *313.1774* 313.1774@10.11739 1 1 1 1 1 1 1 1 1 1 30420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11328 1 1 1 15922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1774 *313.1775* 313.1775@10.065265 1 1 1 1 1 1 1 1 1 1 13675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.1775 *313.1775* 313.1775@10.180447 1 1 1 1 1 20901 1 1 1 1 9182 1 18737 1 1 30831 1 1 1 1 1 16620 1 1 1 1 1 1 1 14527 1 1 21228 1 1 1 1 1 23046 1 1 1 1 32219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24702 1 17026 14493 1 1592 1 1 1 1 1 1 1 1 24467 1 1 1 1 1 1 14306 1 1 1 1 1 1 1 1 1 21703 313.1775 *313.1828* C23 H23 N 4409 4889 4307 3982 4537 5206 6324 4321 1 1 1 6153 5622 5450 3930 1 1 4648 4444 1 6055 6040 1 4668 1 1 1 4095 5006 3633 6905 7626 5468 6615 1 1 3913 5157 7591 8112 1 1 5572 4632 1 4110 5950 5706 1 2937 6352 6786 1 1 3025 3348 5113 1 4330 3893 1 1 1 1 1 3189 1 1 2833 1 3719 1 1 1 1 1 4315 1 4610 1 1 1 1 1 1 3659 1 1 6359 6114 313.1828 *313.8756* C11 H3 Cl O S4 8518 8548 7691 7500 11429 1 4882 6245 1 1 1 9420 7829 1 1 7959 4689 7736 7790 1 4611 9405 9757 4837 1 7976 8427 7702 10127 5412 14296 8028 10785 8636 8266 7838 9772 7804 13685 7860 10250 12933 11247 14012 13972 7624 9928 7622 7152 1 9197 7077 1 7855 7848 7682 11469 8672 7518 10002 5744 9304 7668 7563 8107 1 8836 11492 1 4552 8562 8427 10130 13645 7777 8340 8396 8918 6015 1 8086 8176 8339 8495 1 8694 5519 7979 7232 7670 313.8756 *313.8775* 313.8775@0.8294662 1 1 1 1 1 1 3699 3635 7226 7233 2563 1 1 1 7364 1 3076 1 1 7715 2750 1 1 1 3131 1 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6870 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 1 1 1 1 7425 1 1 1 1 1 1 1 1 1 3336 9008 1 1 1 1 11857 1 1 1 1 1 313.8775 *314.0465* 314.0465@5.5767875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 1 3269 3376 1 1 1 1 1 1 1 1 4369 4585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.0465 *314.0623* 314.0623@3.7136483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11174 10365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2379 3345 1 1 314.0623 *314.0708* 314.0708@0.86428577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41004 43633 1 1 1 38451 1 48957 1 1 1 39119 44189 1 1 29329 1 1 1 1 45565 1 44305 47209 46761 578055 1 1 45935 42829 1 1 1 1 1 1 1 1 1 34446 1 1 1 1 1 41745 35861 48245 54507 1 1 1 1 1 1 29844 1 1 42810 34688 30182 41959 36087 1 32286 35743 468070 28671 1 1 34268 34128 40987 41211 34873 34390 314.0708 *314.0711* 314.0711@1.058897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15402 1 1 1 1 1 18071 1 1 1 1 1 1 1 1 314.0711 *314.0714* 314.0714@0.99723285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74468 1 1 57466 1 1 1 1 1 21461 1 1 1 1 63094 1 1 1 314.0714 *314.0721* VALDECOXIB 228156 228947 153720 138971 144099 147096 95856 96289 115442 123376 207710 197563 125102 129531 117513 130341 121554 121690 109644 111316 130537 140150 127353 137294 139667 133164 144157 178175 147621 157927 130193 114819 145327 151002 153815 144617 142725 139280 146537 158003 122724 134845 139799 139956 130358 129373 131599 138226 129134 118057 125396 125289 108380 106501 122068 119100 102662 99858 131298 127446 180552 180315 161044 153201 124177 127445 114829 113572 95247 97423 118534 125569 134766 125667 124686 130636 138531 164603 123887 122202 142833 121274 166704 167738 120408 113496 148221 148732 136889 138738 314.0721 *314.0721* 314.0721@0.9529126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126384 1 1 1 1 1 1 1 1 314.0721 *314.0723* VALDECOXIB - 0.9111763 611364 630592 529145 523627 565992 567404 485210 483968 566939 577968 581470 589211 570223 566685 572420 502313 532117 548204 525174 483738 557888 545656 596058 592733 523140 526815 557676 577406 572254 567724 603006 601367 612075 583206 633738 649126 567370 566861 556119 59970 636061 621547 578341 573252 616642 610206 612546 619194 630103 621299 623474 614421 579958 518115 589705 583444 574550 593274 612895 587655 650581 642357 679981 725603 637773 623705 566756 586031 476019 556670 599107 578178 539299 613717 587979 519466 582476 599653 583586 581135 139267 335341 694080 664581 599767 607981 580341 653002 658798 649832 314.0723 *314.0907* 314.0907@2.9040372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.0907 *314.0965* 314.0965@2.910536 1 1 1 1 1 1 1 1 1 1 1 1 2518 2829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7180 5471 1 1 1 1 1 1 1 1 1 1 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27516 27846 314.0965 *314.1261* 314.1261@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1261 *314.1394* 314.1394@3.5952373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21619 20517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1394 *314.1743* 314.1743@10.165882 1 10159 3989 1 6547 1 16136 7697 1 7453 10719 6582 1 6671 1 1 7793 5450 5961 1 8980 1 1 1 9354 11301 1 1 1 3146 8505 1 1 1 1 1 1 1 1 1 1 1 7509 1 1 1 6701 6503 1 1 1 1 1 1 8492 1 1 1 1 1 1 1 1 16679 1 1 4441 1 1 3640 1 1 1 1 1 5420 2856 4729 1 1 6011 6387 1 12122 1 5421 1 1 1 1 314.1743 *314.1746* 314.1746@10.102595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11007 1 1 1 1 11769 1 1 5708 1 1 1 1 1 1 314.1746 *314.1898* 314.1898@14.140004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4629 1 1 1 1 1 1 1 1 1 1 1 3101 3872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3097 314.1898 *314.2212* 314.2212@0.90458244 5423 4388 1 1 1 1 1 1 1 1 4562 5368 1 1 1 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1499 1 4100 1 1 2246 4916 1 2756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 3968 1 314.2212 *314.2421* 314.2421@11.18545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 1 1 1 1 1 1 1 1 2456 1 1 1 1 1 3959 1 1 1 1 1 1 1 1 1 1 314.2421 *314.2429* 314.2429@13.057774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2919 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2429 *314.243* 314.243@9.292256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.243 *314.2435* 314.2435@11.207143 1 1 1 1 2187 1 1 1 1 1 4628 4242 1 1 1 1 1 1 1 1 3702 3338 1 1 1 1 1 3043 1 1 1 1 5981 5492 1 1 1 1 6163 7039 1 1 1 1 1 1 1 1 1 1 3242 3144 1 1 1 1 1 2792 1 1 1 1 5119 5087 18312 17382 1 1 1 1 2572 3338 1 1 1 1 1 1 3612 1 1 1 1 1 3567 3712 1 1 2664 2808 314.2435 *315.0319* C22 H5 N O2 4319 4586 5901 5683 7588 7689 7722 7383 1 2307 9356 8596 8486 8097 2616 2561 3487 3041 3689 4180 1 1 1 1 3240 3059 1 1 6034 5883 1 1 3866 3916 3519 3313 2368 2245 1 1 5617 5646 1 1 2265 1 2568 2378 5691 5280 1 1 1 1 1 1 1 1 1 1 3209 3693 1 1 2951 2783 3558 3434 1 1 3502 3611 1 1 1 1 1 1885 1 1 3419 2400 1 1 2434 2460 1618 1 1 1 315.0319 *315.0381* 315.0381@6.58873 1 1 1 1 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 4174 4481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0381 *315.0704* 315.0704@8.392061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55624 53833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76705 77571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21955 23722 1 1 1 1 1 1 1 1 1 1 50811 49759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0704 *315.0736* 315.0736@0.969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0736 *315.074* 315.074@1.0073549 1 1 1 1 1 1 1 1 5171 1 2333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.074 *315.0743* 315.0743@0.86799365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3975 1 1 1 1 1 1 1 1 1 1 1 12867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4593 4892 1 1 1 1 1 1 1 1 4118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0743 *315.1022* 315.1022@5.468249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 5454 1 1 1 2506 1 1 1 1 1 1 1 1 1 1 1 1 22045 22427 8107 8514 1 1 1 1 15352 16429 1 1 1 1 1 1 1 1 1 1 15584 16006 1 1 1 1 5710 5521 1 1 1 1 1 1 1 1 18041 18040 10223 10720 1 1 1 1 1 1 16886 16374 315.1022 *315.1091* 315.1091@6.7056575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 315.1091 *315.1097* 315.1097@3.4662905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5144 5772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1097 *315.1166* 315.1166@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1166 *315.8693* 315.8693@0.8498067 5611 5993 5191 1 1 1 1 1 1 1 4592 1 1 1 1 1 4849 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 5411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5143 1 1 1 1 1 1 5432 4579 1 1 1 1 5769 5566 5509 5337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4802 5561 1 1 7440 1 1 1 315.8693 *315.8696* C6 H Cl O9 S2 1 1 1 5108 1 4755 4954 5257 4594 1 4759 6239 5077 5042 4993 5152 1 1 5174 6773 5084 5264 5005 4843 5179 1 5098 5495 5341 1948 1 1 5562 4990 5130 5292 1 7716 1 5258 4519 1 5100 1 4928 4812 5134 1 5162 1 4449 4829 4763 4708 1 1 5525 1 4745 5427 1 1 1 1 1 5149 1 5415 4712 4292 5256 5701 5574 1 4923 5144 5226 5220 5739 5402 4993 5184 1 1 5413 5162 1 1 5014 1 315.8696 *315.9959* 315.9959@3.153028 3333 3467 1 1 1 1 3439 3162 1 1 1 1 3813 3830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4765 4828 1 1 1 1 1 1 1 1 1 1 3949 3501 1 1 1 1 1 1 1 2061 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1 1 4040 3981 315.9959 *316.021* 316.021@4.2264676 1 1 4509 4419 1 1 5728 4625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2933 2659 4284 4753 1 1 1 1 1951 1944 1 1 8438 8835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5231 5502 1 1 1 1 1 1 1 1 2681 2636 1 1 1 1 3187 2879 1 1 1 1 1 1 3166 3558 2585 2831 1 1 6455 6586 1 1 1 1 316.021 *316.041* 316.041@1.2533911 1 1 1 1 1 1 1 1 1 1 1 1 1508 1201 1816 1 1 1 1 1203 1459 1543 1659 1763 1524 1635 1807 1739 1826 2439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.041 *316.049* 316.049@1.1832354 1 1 4684 3694 1 1 1 3108 3189 2752 1 1 1 2482 3271 3156 1 1 1 1 1 1 1 3166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 2932 3504 3050 3619 2488 2780 1 1 1 1 1 1 1 1 3053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 316.049 *316.0493* 316.0493@0.897604 1 1 120401 121248 49849 52366 181220 183086 69072 68584 58289 53994 126009 124737 149907 153283 1 1 69377 68443 97640 108662 84474 85676 67722 71458 76716 78801 42263 95860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0493 *316.0581* Isorhamnetin 47075 48482 1 1 12363 6823 1 1 1 1 1 6306 1 1 1 1 28624 30375 7046 10309 9851 1 6874 5019 11436 1 7858 7767 67231 8161 1 1 1 1 1 1 18875 1 1 1 30296 29512 19587 19066 21395 20794 21111 20196 20792 20273 29186 20128 20834 1 1 1 1 1 27881 29492 1 1 1 1 1 1 1 1 25233 24147 1 1 1 1 21856 21875 21783 21513 18683 1 1 1 1 1 25907 30606 20045 24805 25137 24118 HMDB02655 C10084 316.0581 *316.0588* 316.0588@0.9303222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16600 1 1 1 3203 1 1 1 1 1 3680 1 1 1 5968 1 1 1 1 19411 20326 1 1 20513 20857 1 1 1 1 1 1 4765 4920 1 17037 1 1 1 1 1 1 1 20578 1 1 1 1 5215 1 4900 1 1 1 316.0588 *316.1016* C11 H16 N4 O7 2776 2836 1 2796 1 3385 2776 2806 3346 3112 3036 3350 2685 2614 3841 3298 3177 3325 3304 3122 3877 3597 3389 3680 3305 3277 4347 4096 3921 4300 3832 3721 3843 4151 4717 4016 4031 4329 4765 5185 4811 4808 4420 4145 4874 4385 4136 4100 4409 3981 4490 4054 4245 4463 4409 3885 4523 4392 4814 5197 3970 4261 5564 5691 5691 5774 4999 4671 5559 5268 4877 5369 5305 5563 5412 4949 4919 5300 4548 4819 5153 5856 5227 5620 5267 5284 5549 1 6073 5287 316.1016 *316.215* 316.215@13.468391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4340 2320 1 1 1 1 1 1 1 1 1 1 1844 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8423 10197 316.215 *317.0231* 317.0231@8.199401 1 1 1 1 1 1 1 1 3984 3907 3279 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15243 14027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.0231 *317.0469* 317.0469@1.7859628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.0469 *317.0485* 317.0485@1.7599732 1 1 1 1 4443 7113 1 1 1 1 1 1 7632 4258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5149 5969 1 1 1 1 1 7537 1 1 2654 1 6826 1 1 1 3693 1 1 1 1 1 1 1 1 1 1 1 1 6116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.0485 *317.0526* 317.0526@0.874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.0526 *317.0859* 317.0859@5.3289638 1 1 1 1 1 1 2087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 1 1 1 1 1 1 1 1 2595 2787 1 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2400 2629 4322 4505 2188 2552 1 1 3108 3010 3056 3028 1 1 317.0859 *317.0896* C16 H15 N O6 4054 2992 5103 4169 2329 2372 5497 5706 6640 5304 2140 1996 4218 4690 6881 6063 4139 2994 3986 3333 2338 3676 3571 4638 4178 4006 4606 5449 5439 4108 1 1 1 1 1 1 1 1 1 1 2576 2634 1 1 1 1 2576 2492 1793 1951 1 1 1882 1869 1956 1 2457 2476 2108 1 1 1 1 1 1 1 1 1 2564 2518 1 1 1 1 1 1 1 1 3664 2179 1 1 1 1 1 1 1 1 1 1 317.0896 *317.8668* 317.8668@0.8455908 8661 1 9286 8038 7444 1 11500 17242 1 1 1 1 1 1 1 1 1 1 8450 1 11755 6543 1 1 7626 1 7893 1 13085 7904 1 1 1 13715 1 1 16391 6838 1 9704 1 6237 8357 12895 1 1 1 6676 8863 1 1 1 1 1 6174 18890 21440 12243 1 13528 16211 1 1 1 1 1 1 1 1 4195 1 12631 15420 8301 1 7313 1 14556 1 1 1 8733 1 1 1 11652 1 1 13219 1 317.8668 *317.9529* C8 H14 O3 S5 6441 6482 1 1 4391 4972 1 5073 4103 4567 6813 5037 5424 5362 1 5353 5051 5349 1 1 1 5840 1 5344 5532 6479 5899 1 1 6013 1 1 1 5244 1 4984 6104 1 5317 4723 5261 5017 5653 6114 5158 5059 1 1 4903 5516 4912 4872 1 1 1 5947 1 1 4646 1 5319 4818 5199 4385 4592 4767 6335 6327 5636 1 1 6472 5258 1 1 5074 6577 1 5297 5581 1 5791 5715 5702 1 4978 4914 4718 1 5623 317.9529 *317.9536* C7 H10 O8 S3 12485 17417 18876 12442 17155 12236 14821 14023 11770 15744 17260 11447 12479 15999 17008 16956 16548 11770 19032 16929 14479 13958 13657 17113 18123 11688 11650 12988 18104 13285 13492 17982 18315 11439 11415 16234 19377 17992 15432 15300 17461 11840 15349 12343 16271 16997 11361 16984 24014 16577 17439 17934 17789 16472 17705 18553 16763 15844 17832 14200 11911 18237 13942 13502 13449 12944 18300 14200 17918 14545 18447 18124 13522 20190 15869 17051 12889 20451 12440 12761 18693 23198 12830 18027 17696 17496 15455 11059 17863 12643 317.9536 *318.0323* 318.0323@3.6792884 1 1 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0323 *318.0748* 318.0748@1.0563738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5449 4423 1 1 1 1 1 1 1 1 1 4469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0748 *318.1172* 318.1172@5.32713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 318.1172 *318.1427* 318.1427@9.892652 1 1 1 1 1 1 1 1 1 1 1 1 6553 6440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1427 *318.1449* 318.1449@8.973891 1 1 9005 9693 1 1 7348 7608 4901 4387 2672 3562 3621 4107 6926 6887 1 1 3986 4095 1 1 1 1 1 1 1 1 6653 7221 1 1 1 1 1 1 7741 8285 1 1 12756 12693 1 1 1 1 1 1 1 1 9549 9947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1449 *318.2309* 318.2309@14.2239275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6259 5420 1 1 1 1 1526 1888 10445 10321 1 1 1 1 1 1 1 1 1 1 10225 10073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20886 21683 318.2309 *318.9547* 318.9547@7.034092 1 1 1 1 1 1 1 1 3782 3801 2795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.9547 *318.9727* 318.9727@3.4779558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.9727 *319.0266* 319.0266@2.833715 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 3565 1 1 1 1 1 1 1 1 2800 2638 319.0266 *319.0578* C7 H11 Cl2 N11 3907 4332 3861 3833 2223 2355 7425 7457 2709 2678 6280 5936 3725 2232 4665 2229 1 3301 6006 5719 1 4355 5265 5525 2006 4262 3071 3170 1961 2088 2125 4294 2364 1966 3335 3090 4337 4153 2189 2184 1809 1998 2158 5033 2525 2700 2663 4101 2918 4691 2956 3137 1 3140 2883 2727 2872 2426 3270 1 4321 1785 4305 6266 1966 3883 1 1 1 1 1 1589 2428 2267 1 1 3760 2074 2680 2804 3097 2757 3419 3389 2946 2654 3707 3863 2307 2160 319.0578 *319.08* 319.08@0.9345377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7412 8278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.08 *319.8254* 319.8254@0.8490023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.8254 *319.8302* 319.8302@0.84581184 1 1 1 1 1 1 1 4602 1 6402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3986 1 1 1 4312 1 1 1 8334 1 1 1 1 1 1 319.8302 *319.9363* C7 H4 N4 O5 S3 6931 6927 8098 7873 9292 9118 9456 8473 9071 9274 9161 9384 9826 10663 9486 10597 9814 9863 10430 10070 10545 10317 10550 10442 8899 9159 9530 9702 8732 8171 11946 11636 9723 10197 9380 9411 9550 9494 10695 11240 8967 9847 9563 9743 9821 9908 10369 10573 10481 10984 11712 12577 9818 10757 10355 10425 12880 12911 10369 10307 7754 7949 7955 6874 12031 11932 10952 11877 12009 12009 11137 11217 9632 9498 11946 11719 11386 11373 11157 11367 10391 9968 8572 8960 11800 11107 10746 10473 9191 9362 319.9363 *319.964* 319.964@0.81391114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3176 1 1 1 319.964 *320.0108* 320.0108@0.8780214 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0108 *320.0542* Dihydromyricetin 18750 18775 18989 17141 10915 19855 35991 35595 12687 13245 28783 28244 10182 18024 10582 10079 15680 15707 27305 28980 9935 19601 13724 25275 19859 8791 14974 14055 22004 10226 20513 20251 10306 10136 7263 7444 18599 18189 9997 9702 8305 8175 22638 23384 11928 12319 18919 19358 21532 22152 24881 25081 6657 12840 12248 12394 11976 12064 9587 18101 18309 18435 21060 20174 9177 9199 5677 6646 5154 10799 7242 6624 9855 10152 12523 12028 16556 17281 12972 12422 15591 15505 15676 17225 13179 13032 16994 17126 9667 21698 C02906 320.0542 *320.056* 320.056@1.0720524 1 1 1 1 1 1 7444 7462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9476 4765 8781 1 1 1 7595 1 1 1 1 1 1 1 6379 3040 1 1 1 1 2423 5403 1 1 1 1 320.056 *320.0595* 320.0595@1.0799217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 5594 1 1 1 1 8722 1 1 1 1 1 320.0595 *320.0865* 320.0865@0.93338925 1 43815 1 1 1 1 1 1 1 1 5869 6492 35631 1 1 1 1 1 1 1 1 1 1 1 1 3556 1 1 1 3858 1 1 1 1 1 1 1 1 1 1 80000 1 1 1 1 1 107149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0865 *320.0887* 1-Naphthyl beta-D-glucuronide 42213 1 1 1 5054 1 107507 105225 4782 5200 1 1 1 1 1 1 4403 4259 1 1 1 1 1 1 1 1 1 1 1 1 11339 1 16299 17178 9967 55092 3699 3331 1 1 1 70559 1 1 3620 3539 1 1 3477 3224 3320 1 1 1 1 1 5488 5783 1 1 1 1 1 1 1 1 3492 3463 1 1 1 1 3380 1 1 4848 9790 12128 14398 14265 11279 121206 4803 3430 193562 191063 12241 1 9217 9280 320.0887 *320.0969* 320.0969@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.0969 *320.1973* 320.1973@9.780781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 3161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1973 *321.0739* C12 H20 Cl N3 O S2 7008 7077 1 5296 6271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6405 1 6891 1 1 7029 1 7182 7166 7041 5132 1 1 5469 5590 1 1 6695 6691 6176 5524 1 1 12530 12394 1 6600 5463 1 5521 5991 6180 1 5548 1 5497 1 1 1 6294 5232 6867 7185 6458 5640 7721 8131 6882 6973 1 1 5240 5032 5276 5286 1 1 6938 7361 1 1 4650 4963 5230 4819 3725 4037 1 1 9393 9581 321.0739 *321.0744* 321.0744@1.040123 1 1 5392 1 1 6639 3354 4774 4141 4338 6049 5375 4233 4685 4652 4500 4494 4625 6062 1 6793 1 5430 6038 1 7369 1 1 1 2083 6574 6806 1 1 4265 4726 1 1 1 1 5394 4682 1 1 6004 1 1 5720 1 1 1 5179 1 5425 1 5165 4781 4085 1 1 1 1 1 1 1 1 1 1 4730 4625 1 1 1 1 6167 6448 1 1 4069 4296 1 1 1 1 1 1 4365 4058 1 1 321.0744 *321.0856* 321.0856@0.934995 1 1 1 1 1 1 1 1 1 1 4703 1 1 1 1 1 1 1 1 1 1 1 1 1 10379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5740 1 1 1 1 1 1 1 1 1 1 1 321.0856 *321.0861* OXOLINIC ACID 20606 67562 42977 11491 56317 56901 93815 98565 60999 63136 8958 70604 10160 45189 26649 28104 15433 64970 19719 92294 10125 41661 42757 8507 3954 39441 45643 45999 43427 8420 15343 13650 19210 84320 12735 11611 12041 58389 8183 8858 9221 10886 8884 47099 62306 62674 10007 10322 12922 12966 13124 13237 9517 8855 11265 8739 110883 112588 6963 7142 9658 9670 8505 7951 74059 70027 13984 13741 10665 11202 12249 65464 6918 7216 7080 6019 43426 13261 79077 85966 15248 84991 59774 12784 27003 100602 76640 76547 11327 10518 321.0861 *321.1052* 321.1052@0.9823522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 1 1 1 1 1 2505 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.1052 *321.8184* 321.8184@0.84918976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4668 5205 1 1 1 5301 1 1 1 1 5286 1 1 1 1 1 1 321.8184 *321.9438* 321.9438@0.82173014 1 1 1 1 1 1 1 1 6124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3517 1 1 1 1 1 1 4993 1 1 1 1 1 1 1 1 1 1 1 1 5482 1 1 1 1 1 1 1 1 1 1 1 1 1 3778 1 1 1 5447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 1 1 1 5906 321.9438 *322.0699* C8 H14 N6 O6 S 29853 29279 21621 21248 28196 27186 1 14018 17595 19607 23706 23805 20190 19999 19289 20399 20074 21758 27567 25615 29460 29856 23604 25356 30821 31908 23296 31050 28628 28345 26487 27722 1 1 17449 16799 30862 28747 23791 26194 21082 1 58133 60249 30860 28556 25228 21582 25870 26255 25602 23946 21244 21593 22568 23488 19255 12163 27343 24040 25896 31503 26647 27503 36103 31744 28695 32422 19306 20160 25099 23673 22084 21876 28458 29834 32869 34172 19168 19693 24469 22330 22429 22810 17319 17435 16879 16950 43261 43040 322.0699 *322.0701* 322.0701@1.0814359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7566 1 1 6247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0701 *322.0793* 322.0793@0.9143644 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 1709 1 1 1 1 1 3524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0793 *322.0877* 322.0877@3.7909412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 2049 1 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1935 1 1 1 1 1 1 1 1 1 1 1 1 3880 4044 1 1 1 1 322.0877 *322.0905* 322.0905@0.92708075 1 1 1 1 1 1 5270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.0905 *322.1004* 322.1004@6.971575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 1990 1 1 1 1 322.1004 *322.1031* C16 H25 Cl3 6456 6362 6409 6196 7336 7351 18465 18447 13968 13034 6696 4689 6708 1 9980 8332 1 7009 6757 7390 4224 1 9976 10058 5128 4565 1 1 1 5053 1 3407 1 1 3815 9282 3552 3416 2820 2875 7840 8159 1 1 3020 1 1 4722 1 1 2993 3264 1 1 2358 1 4515 4787 1 2545 1 1 1 1 1 1 1 1 1 2753 1 1 1 1 2355 1 1 1 7113 5979 3516 3513 1 1 4075 3891 5977 1 1 1 322.1031 *322.1406* 322.1406@7.9055133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1406 *322.211* 322.211@13.23751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11032 10375 1 1 1 1 1 1 11722 11469 1 1 2528 2436 1 1 1 2604 1 1 6812 6440 1 1 1 1 1 1 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13851 13725 322.211 *323.0743* 323.0743@1.0385588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3246 1 1 3879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.0743 *323.0893* C12 H22 Cl N3 O S2 51352 1 1 30774 1 1 1 1 1 1 56708 1 34482 1 1 1 51829 1 75961 1 1 1 1 1 25224 1 1 1 1 1 80568 82512 74235 1 60919 59812 52114 1 56027 56487 48251 48994 44568 1 1 1 34445 32816 56332 58096 63258 57556 66156 66698 63269 63754 1 1 34889 34900 34544 34950 45632 43092 1 1 71537 75533 1 38183 57082 1 48618 49083 57149 60212 1 34014 1 1 69317 1 1 49271 82438 1 1 1 63133 61096 323.0893 *323.0898* 323.0898@0.95204604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.0898 *323.0965* 323.0965@2.857017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7650 7689 1 1 1 1 1 1 1 1 1 1 323.0965 *323.1419* 323.1419@0.8370363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1419 *323.1506* Phe Gly Thr 1837 1722 1 2041 2287 1973 1 1 2239 2683 1 1935 2055 2421 2964 2601 1830 1917 1866 1881 1 1 1674 1782 1520 1611 1814 1612 1996 2091 1 2283 1 1732 1792 1757 2447 2654 2044 1705 2349 2102 1 1 2869 2179 2774 1 1 2936 1712 1 1873 1945 3203 3301 3276 3546 2472 1 2890 2719 1 1633 4316 3848 2125 2195 1 2853 2307 3147 2687 2673 2154 2260 1 1 2619 2677 2877 2490 1 1 3213 2287 2405 2106 1771 1933 323.1506 *323.1531* 323.1531@0.8329716 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3309 3322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2433 1 1 1 1 1 1 1 2791 2071 1 1 1 1 2331 2570 1 1 1 1 1 1 323.1531 *323.1708* 323.1708@10.224418 1 1 1 1 1 1 3193 4145 8325 9303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1708 *323.9021* C6 H9 Cl O5 S4 4392 4543 1 3551 1 3341 3197 3221 1 2880 4631 4611 3142 3313 3516 3367 3293 3272 1 3215 1 3616 3606 3627 3269 1 4180 1 4420 3978 3536 1 1 4044 3828 3587 3666 1 3796 1 4950 3210 3595 3744 1 3053 3684 1 3238 2819 3099 3191 1 2686 1 3302 1 3192 3284 3708 6461 4319 1 3820 3160 2892 1 1 3183 3191 4030 3846 3611 3492 3815 3618 4151 1 3893 3831 1 3510 4090 5676 1 3105 3970 3270 3606 3487 323.9021 *323.9088* C8 H5 Cl N2 O4 S3 3815 3431 6433 3100 3526 3589 4667 4454 3553 3867 3280 3809 3344 3600 5376 5056 3784 3715 6688 3336 3952 3950 3568 3759 3702 7594 3505 7476 3120 3611 4500 17228 7957 3586 3689 3791 3108 7042 3325 1 3213 3389 3340 3236 6708 2958 3903 19806 3035 3714 3740 3893 6997 4571 7175 3535 1 4242 3653 4825 3550 3576 6967 3842 4299 4401 3232 7089 3444 3184 23747 4252 3253 3971 3397 3763 3537 7260 4956 4475 7285 2936 3221 3548 4353 4547 3805 4075 3282 3486 323.9088 *323.987* C11 H4 N2 O10 - 4.8235207 7107 4271 8438 8371 1 1 1 7524 5230 6111 4811 1 4815 1 5443 5599 4406 4431 1 6253 4683 5039 5875 4813 1 1 2507 1 4406 4067 1 3721 3605 3290 4024 1 2898 1 4009 4357 5640 1 3919 4000 1 1 3620 1 2283 2447 3058 3254 1 1 3157 2239 3777 1 1 1 1 1 1 1 2552 2308 1 2221 2645 3338 1950 3010 2617 3509 3712 3441 2736 2513 1 2579 2239 2185 1 1 3337 1 1 1 1 1 323.987 *323.9877* C11 H4 N2 O10 4840 7007 6898 6746 6033 7375 7576 1 1 3160 3108 6733 1 4605 3242 3458 1 2958 6630 2516 1 3106 1 3452 2457 4342 3916 4177 2271 2346 4076 3037 1 2169 2728 2896 3935 4233 2831 3131 4649 9561 2802 2535 3741 2493 1 3257 2869 3203 1 1 9760 9978 2444 2851 1768 1 8762 9699 2533 1 9759 9232 1894 2452 1929 1 3315 2406 2971 2059 3531 2458 3021 2660 1 1 2520 1646 3415 3450 7399 7537 1 1 1 1 6881 7051 323.9877 *324.0198* 324.0198@7.7882648 1 1 1 1 1 1 1 1 1 1 1 2778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0198 *324.0494* 324.0494@3.6363478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2872 3069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0494 *324.0647* 324.0647@6.1610756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3509 4077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0647 *324.0781* 324.0781@0.9860422 1 1 1 1 8033 1 1 1 1 1 1 1 1 1 1 1 1 10955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0781 *324.0803* 324.0803@0.98639315 8061 8203 1 6853 1 1 1 1 7368 8511 1 1 14006 1 1 1 1 1 1 1 2861 1 4459 1 6729 7390 5028 1 4742 5672 5007 2702 1 1 1 1 1 1 1 2784 7801 7745 1 1 1 1 1 1 1 1 1 1 1 3756 1 1 1 1 1 1 1 1 1 1 1 1 1 3443 1 10887 1 9369 1 1 2879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0803 *324.081* 324.081@4.0140777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12911 13052 1 1 1 1 1 1 1 1 1 1 324.081 *324.0865* C9 H12 N10 O2 S 235564 241968 1 138490 1 212482 1 1 232401 228965 284451 272266 145480 161960 68946 75586 250502 244520 371264 372234 1 145704 1 153291 111769 109773 151117 155258 1 140189 410589 403920 368526 357440 296034 304979 243114 246399 280686 257162 230732 232490 213163 209830 246852 249935 166031 168238 270114 276361 300442 303628 339213 330072 322303 317711 471010 478446 163078 167629 164489 163302 219213 226263 261226 261660 357190 356714 187707 169342 274637 261897 243717 238403 285539 299838 162501 158996 302033 300439 368620 363731 244844 240066 405860 405030 313117 309686 319519 308684 324.0865 *324.2244* 324.2244@14.648024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3075 1 324.2244 *324.2256* C14 H32 N2 O6 12255 12043 10650 10339 14607 14721 11522 12749 10035 10388 11319 12049 12350 12403 10202 10472 10485 9508 11930 11396 15952 15637 10936 11245 12104 10167 10472 10465 15311 14633 16410 16816 16961 16311 11105 10884 15874 15812 24792 26016 10084 10500 16583 16892 16235 14757 15396 15649 10771 11806 19684 20392 11792 12262 12183 12001 16034 15068 14664 14534 10667 9181 10699 9569 15323 14199 11223 10578 11565 11195 13331 12472 12708 12330 13055 12678 13056 12821 18600 18698 13165 13004 10672 10924 16530 16149 9908 11113 29204 28380 324.2256 *324.2344* 324.2344@0.9139182 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6325 5685 1 6421 1 3735 1 1 2451 1 1 1 1 1 1 1 1 1 1349 3446 2507 1 1 3276 2928 1 1 5823 1 1 1 1 1 2584 1 1 1 1 1 1 1 1 1 1 1384 3006 1 1 1 1 1 3414 3050 1814 1 1 1 2916 1 3301 324.2344 *324.2906* 324.2906@0.9130024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2906 *324.2963* 324.2963@0.9119811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2311 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1646 1 1323 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2963 *324.2985* 324.2985@0.91367966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1892 1 1 2421 2532 1 1 1 1 324.2985 *325.0215* C8 H11 N3 O9 S 9624 10725 8009 7252 1 1 3974 7939 1 1 5044 5330 1 1 6712 7072 9206 8314 8995 9306 7304 6968 6096 5640 12939 12937 11786 1 15032 8081 5408 5046 18635 20890 19380 19220 17968 19556 13876 15094 16686 15869 19787 18958 21706 22125 15117 14147 15425 16845 18291 17761 14686 1 8330 1 25137 25614 7602 8029 20973 20294 1 1 28086 13585 21274 12035 13083 12995 7416 7637 1 11968 13295 12816 1 21150 18384 30789 1 27665 23015 1 19323 1 3321 31141 1 11181 325.0215 *325.0218* 325.0218@4.1335735 1 1 1 1 8868 9094 8335 4268 7520 7215 1 1 7934 7220 1 1 1 1 1 1 1 1 1 1 1 1 1 12198 1 5971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14472 1 8685 1 1 1 1 1 1 6454 6366 1 14511 1 9749 1 1 1 1 12065 1 1 1 19707 1 7102 1 28220 1 1 23067 1 20550 26573 1 10708 1 325.0218 *325.0752* 325.0752@7.7032247 2642 2394 1 1 1 1 1 1 1 1 1820 2160 1 1 1 1 1 1 7435 7055 1 1 6603 6615 1 1 1 1 1629 1831 1 1 3776 4054 1 1 1 1 1 1 1 1 1 1 6289 6954 2073 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 2786 2736 1 1 1 1 1 1 1 1 1 1 325.0752 *325.0842* 325.0842@2.2797341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.0842 *325.0884* 325.0884@0.95405227 7177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.0884 *325.7687* 325.7687@0.85388577 1 1 1 1 1 1 1 3199 3265 3445 1 1 2949 3169 1 1 3359 3127 3362 3134 1 1 3195 1 2556 1 1 1 1 2696 1 1 1 1 2610 2583 1 1 2616 1 3096 3083 2530 3183 3327 3295 1 1 3262 1 3292 3434 3443 3549 2816 3358 3273 3562 2865 3005 1 1 1 2849 3444 3318 1 1 4385 4187 1 1 3250 1 3347 1 3234 3132 2855 3091 3595 3508 2912 3151 3100 3190 3378 3375 3291 1 325.7687 *325.8952* 325.8952@0.85051036 1 1 1 1 3544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.8952 *325.9399* 325.9399@0.8059792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.9399 *325.9517* 325.9517@0.8063981 1 1 1 1 1 1 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1259 1 1 1 1 1 1 1 1426 1 1358 1 1400 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1122 1 3415 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1 1 1387 1 1 1 1 1 1 1 325.9517 *325.9983* 325.9983@4.88049 8421 8818 12138 11337 1 1 6089 1 7558 7931 5497 1 1 8319 1 9344 10209 2845 7950 1 1 1 10875 1 9781 9757 1 1 1 5128 1 1 13138 1 1 1 1 1 1 19484 1 22301 1 18731 13984 1 1 1 17944 1 13533 1 20527 1 1 1 16889 1 21206 1 28989 1 1 1 18899 20826 1 1 1 1 18479 1 1 23242 26794 25966 18763 1 1 1 1 23669 1 26546 16320 1 1 10538 1 1 325.9983 *325.9986* C15 H6 N2 O5 S 1 1 1 1 8038 9632 1 5663 1 1 2233 7870 8197 1 9708 1 1 7831 1 8905 11781 10388 1 10431 1 1 11043 12571 10453 4532 14291 13916 1 13665 12478 11956 15744 15648 17723 1 20285 1 18617 1 1 15467 24721 25431 1 19415 1 13614 1 21013 19982 20076 1 17233 1 21558 1 30305 26206 25853 4716 1 21309 20832 21496 20990 1 18257 23517 1 1 1 1 20168 18826 19284 23082 1 27653 1 1 16443 10757 1 26921 26436 325.9986 *326.0415* C14 H10 N6 S2 1 1 1 2138 1 2192 3049 2973 1 1 1 1 1 1239 1 1 1 1 3005 2741 2408 2106 1 1 1 1 4895 4722 5051 5450 3671 4240 5319 5144 1997 2100 8190 8825 1 1 5333 5197 7025 6401 3766 3633 7325 7187 2544 2511 8190 8332 6464 7046 7058 7667 2782 2579 4768 4480 9606 10226 5397 5873 3223 3332 7991 8599 2396 2746 2290 2688 2983 3155 6892 6817 4804 5090 10744 10951 10466 10310 5368 5957 6053 6461 5916 6019 7977 8740 326.0415 *326.0415* 326.0415@6.0697827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3630 4346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3632 3703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3248 3416 7847 8404 1 1 1 1 1 1 1 1 1 1 6391 6065 1 1 2748 3040 1 1 3001 2814 1 1 1 1 326.0415 *326.0932* 326.0932@0.94204193 1 1 1 1 1 1 2581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.0932 *326.1012* 326.1012@4.492247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6111 5683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1012 *326.1014* 326.1014@4.941786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29677 28769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21665 22079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37423 37087 326.1014 *326.104* 326.104@0.9161817 1 1 1 1 7932 1 1 1 1 1 1 9311 4033 1 3720 1 1 1 1 1 1 1 3760 1 1 2618 1 1 4147 1 1 1 1 1 1 1 1 1 1 1 1 1 6017 4879 10083 1 3778 1 1 1 36951 36949 1 1 1 1 1 1 1 1 1 3139 1 1 15366 13739 12213 12707 1 1 9537 8995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.104 *326.1346* Gly His Asn 21909 21788 18648 16960 17020 16640 17159 17707 17371 17394 24898 24131 18664 19666 18390 20184 21249 19841 18075 17383 17784 17323 23945 25141 19195 19844 19454 19100 26403 25418 27572 28089 26659 26898 21857 22828 25776 25602 20456 21112 21880 24813 27559 29997 19994 19576 24182 24244 26702 27211 21536 21728 19694 19232 24782 26622 19890 21697 21159 23722 32158 28959 20404 21185 25935 25364 30956 30589 19987 20865 35106 35958 25763 23547 24360 23624 24586 24091 25827 26349 31208 29053 24646 25744 26171 26907 25035 25409 26251 27972 326.1346 *326.1715* 326.1715@7.988884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2992 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1715 *326.1896* 326.1896@10.347505 1 1 1 1 1 1 9333 1 1 1 1 1 1 1 1 5963 1 1 1 1 1 1 1 11497 1 1 1 1 1 1 1 1 1 1 7506 1 1 1 1 8134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5508 1 1 1 4001 1 1 1 1 1 1 1 1 1 1 1 1 5967 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1896 *326.1896* 326.1896@13.21492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8849 8749 1 1 1 1 1 1 9853 11579 1 1 1 1 1 1 1 5591 1 1 8711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7273 326.1896 *326.1897* 326.1897@14.2602 1 1 1 1 13397 14129 7712 1 1 1 5424 1 1 1 1 1 1 1 12216 10495 16468 16391 1 1 1 1 4719 1 18610 13901 26680 24851 13990 12111 1 1 16385 19117 37494 32622 1 1 10224 12011 15762 16324 14678 12193 1 1 33380 34493 1 1 1 1 16109 10213 11981 9562 1 1 1 1 10810 9117 1 1 1 1 1 1 1 1 1 1 7023 1 11550 12005 1 1 1 1 1 1 1 1 30774 30361 326.1897 *326.1898* 326.1898@10.437995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1898 *326.1899* 326.1899@14.678117 1 1 1 1 8154 1 10479 1 1 1 4407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8176 1 1 1 1 1 1 8387 7613 1 1 1 14943 1 1 1 1 12670 1 1 1 1 1 1 1 1 10804 1 1 1 1 1 1 1 1 1 1 11014 1 1 1 1 1 1 1 1 1 1 1 1 12455 326.1899 *326.19* 326.19@10.907399 1 1 1 1 1 1 11585 1 1 1 1 12607 14087 1 1 11089 1 1 97603 1 12747 1 1 1 9706 1 3368 1 1 1 1 1 1 1 5223 1 14692 1 1 1 1 1 1 1 1 1 1 4409 1 1 1 1 1 1 1 1 1 1 3207 4671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.19 *326.1901* Isoacitretin - 10.899509 95816 74085 90410 90322 95407 98359 82709 93520 88515 91372 91842 95010 96059 95021 94107 94231 94973 91846 91280 88213 90342 86155 92979 95892 96845 94522 92035 91510 87844 83382 91290 89348 87128 88100 89982 88554 88472 35787 89233 89464 98587 88219 87186 88433 91344 97928 93644 96171 95255 87780 94012 93198 94372 91044 94482 92137 92824 85841 82751 78746 77549 77730 76510 76518 59423 70210 70474 72249 71965 71573 62711 64720 66927 62577 67783 63857 65753 62386 66284 68649 62874 60396 62231 63342 65106 60176 66042 55112 60125 55708 HMDB03039 326.1901 *326.1901* Isoacitretin - 14.103292 13117 1 1 1 11347 14379 6573 12594 8590 1 8889 1 10132 1 1 7314 1 8284 5925 13106 16135 16774 11539 12218 1 1 8756 10743 16436 16131 17894 16247 12586 14265 6604 1 14316 14099 20555 18548 1 1 9487 13886 15132 14534 13862 13816 1 1 18405 17436 1 1 11884 1 4860 1 9042 6809 1 1 6020 1 9200 8571 1 1 1 1 1 7962 6303 6645 1 7862 6353 7359 9052 11119 7963 1 1 6654 1 1 1 4412 14073 14193 HMDB03039 326.1901 *326.1902* Isoacitretin - 10.753435 1 111800 1 107519 101266 75515 76072 117671 87744 74732 90267 117700 111341 93786 113680 108676 12456 1 414476 9829 106117 1 11400 10166 108128 492577 510715 10164 1 90673 1 1 1 1 9334 1 500819 54777 110303 14254 15057 14788 1 1 521534 1 1 510332 1 1 16410 13995 1 1 1 1 16410 1 10628 11169 1 10147 1 8135 1 8007 1 10135 10480 1 1 1 1 8444 1 1 8112 1 8994 1 1 1 1 1 1 8086 1 1 1 10113 HMDB03039 326.1902 *326.1903* 326.1903@10.623084 1 1 1 1 1 1 418966 1 1 1 1 1 1 1 1 5074 1 1 1 1 1 1 1 491204 1 1 12238 487629 1 1 1 1 1 1 4051 1 1 1 1 487425 1 1 1 1 1 1 1 12838 1 1 1 1 1 1 1 1 1 1 1 409775 1 1 1 375547 1 1 1 1 1 1 1 1 1 1 1 1 310916 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1903 *326.1904* Isoacitretin 476004 394556 473132 391526 404928 416897 6756 395009 417369 433473 409187 401820 399548 421847 398146 403695 492108 412451 10345 498877 399571 415214 518797 8124 409456 9832 7194 10321 395046 330842 494241 499796 503212 509412 524550 504618 2337 477799 394222 7467 488086 494504 494817 504051 5308 512605 489503 4559 526626 530698 516855 496829 522028 519431 508275 490235 475535 445791 438010 4941 370196 388993 367190 6021 351443 356544 352303 329677 261222 314001 325479 329429 291514 298619 309505 315498 3683 316151 255607 315592 321732 302523 317151 301861 321154 297057 316924 308443 297833 287377 HMDB03039 326.1904 *326.191* 326.191@14.150433 1 1 1 1 1 1 12466 1 1 1 1 1 1 1 1 1 1 1 11593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.191 *326.2096* 326.2096@13.477227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2096 *326.218* 326.218@13.459991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.218 *326.224* 326.224@13.462502 1 1 1 1 8179 14521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12683 12092 1 1 1 1 1 1 13543 1 21846 1 1 1 1 1 1 1 1 1 9394 1 1 7659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.224 *326.2349* C16 H30 N4 O3 1 1 1 1 1 1 1 6368 1 1 1 5182 6923 6359 1 1 1 1 1 1 1 1 1 3829 1 1 1 1 1 1 1 18275 10217 16600 1 1 29177 27258 42501 46618 1 1 17884 1 21620 21437 14644 16614 1 1 1 38636 4216 1 1 1 18091 1 21180 1 5143 4501 1 1 11432 15321 8213 12014 7195 5538 8995 10718 12049 9688 14478 12449 12702 12567 20304 1 10800 6696 6947 8251 1 1 1 1 1 1 326.2349 *326.2394* 326.2394@13.461974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39870 1 1 1 1 1 1 25215 1 19960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21946 1 1 1 1 27878 28983 1 1 67131 71362 326.2394 *326.3398* 326.3398@10.638765 1 2197 3023 3169 1 2199 1 1 1 1 1 2936 1 1 2613 1859 1 3945 3194 1 1 2134 1 1 1 1 3916 1 1 1 1843 1 1 1377 1 1 1 1 1 1 1 3551 1 1 1 2132 1 1731 2733 1 1 1 1 1 1 3049 1915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.3398 *326.9829* 326.9829@4.4733176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7349 7560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 1 3733 3333 1 1 1 1 1 1 2613 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.9829 *327.0696* 327.0696@8.500342 1 1 1 1 1 1 3305 3457 1 1 1 1 1 1 1 1 3494 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5066 5428 327.0696 *327.0942* 327.0942@2.8682842 144050 147179 1 1 1 1 1170600 1191668 1 1 1 1 199066 198633 1 1 1 1 1 1 1 1 1 1 1 1 7873 7512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94405 79510 1 1 1 1 1 1 1 1 1 1 122398 128724 1 1 1 1 1 1 26299 27401 1 1 1 1 1 1 1 1 1 1 1 1 99794 82527 1 1 1 1 1 1 522267 528708 327.0942 *327.1018* 327.1018@6.136572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10290 10701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5909 6513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1018 *327.1026* 327.1026@4.498584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4883 4953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1026 *327.1299* 327.1299@3.2238216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4168 4377 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1299 *327.1931* 327.1931@10.751344 1 1 20590 1 1 1 1 1 1 1 1 1 1 1 1 1 21109 1 1 1 1 1 1 24714 1 1 1 24969 1 7985 1 1 1 1 1 21678 1 21457 1 1 21410 1 1 1 1 1 20910 1 1 1 1 1 1 1 1 24419 22375 1 1 23849 24776 1 1 1 18297 1 1 12985 1 13640 1 1 19580 17122 1 1 1 1 17914 1 1 13863 1 12749 1 1 1812 1 1 1 327.1931 *327.1931* 327.1931@10.864975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 327.1931 *327.1932* 327.1932@10.640284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1932 *327.1935* 327.1935@10.7239 22769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18598 1 1 1 1 1 1 1 25774 1 1 1 22649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18326 1 1 1 1 1 22131 1 1 1 1 1 1 1 1 1 49723 1 1 1 1 1 1 1 1 1 1 1 327.1935 *327.2342* 327.2342@13.455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2342 *327.246* 327.246@2.8626306 1 1 1 1 1 1 10789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.246 *327.3082* 327.3082@2.8629174 1 1 1 1 1 1 2826 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.3082 *327.7654* 327.7654@0.8526029 1 3317 5185 5220 5160 5721 6286 5432 6003 6217 3444 3385 5964 5668 5410 5783 6167 1 5496 6076 4921 5048 1 1 1 1 1 5104 1 1226 1 1 4865 4767 1 1 1 5231 4565 5171 5659 5871 1 1 6818 6591 5641 1 6955 6826 6200 6254 6881 7271 6320 5955 6299 6995 5573 6046 1 1 5058 4839 6214 6144 1 1 7821 7859 5036 5080 1 5493 6407 6185 1 1 6073 6091 1 6655 1 5624 6122 6030 1 6243 1 1 327.7654 *327.9118* 327.9118@0.815001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.9118 *328.0544* 328.0544@5.4451647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5973 5663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.0544 *328.1313* 328.1313@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1313 *328.1464* 328.1464@0.8630074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1464 *328.1897* 328.1897@10.738336 1 1 1 1 1 6892 4892 1 1 1 4249 1 1 1 1 1 1 1 1 1 1 7003 1 6209 1 1 1 1 5084 3205 1 1 6079 5768 1 1 1 1 1 6119 1 8212 1 1 1 1 1 10141 1 1 1 5256 4718 7752 1 1 1 1 1 1 1 6620 1 5554 1 5243 5016 1 19669 1 3911 1 10436 1 1 1 1 1 1 6122 1 1 5171 1 1 7612 1 6256 4742 5504 328.1897 *328.1903* 328.1903@10.795345 1 1 1 1 1 1 7074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8552 1 1 1 4729 328.1903 *328.239* 3,9,15-Docosatriynoic acid 29634 29763 16724 16976 25693 23836 12107 11775 1 6332 34042 35356 17706 17895 4112 5480 1 5549 60861 59778 56600 57151 27904 30612 13159 10458 11506 11615 82146 78619 66186 64665 43322 44139 9881 9604 41552 38945 96431 95667 10716 10866 48319 46473 85192 84812 77989 77447 14474 14340 57647 55236 10061 10445 19589 19064 33934 34431 43095 43678 10409 10389 1 6706 98078 99219 23500 21753 18668 17702 84537 82784 18813 18694 21522 21294 39083 40835 74133 75302 31929 33282 34083 35019 30836 29986 1 1 87797 85521 328.239 *328.2446* 328.2446@13.046811 1 1 1 1 1 1 1 1 6530 1 1 1 1 1 1 1 5836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2446 *328.2513* 328.2513@13.09797 1 3021 1 1 1 1 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 3431 2766 1 1 1 1 1 1 1 1 1 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 3732 1 1 1 1 1 1 2432 1 1 1 3137 1 1 1 5466 6166 2558 1 328.2513 *328.2597* 328.2597@14.292387 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3492 1 1 1 1 1 1 1 1 1 6694 1 328.2597 *329.1747* 329.1747@8.267408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5464 5117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.1747 *329.7635* 329.7635@0.8529624 1 1 1 3827 3900 3977 1 4982 1 5058 1 1 1 4779 4322 1 1 4678 5037 1 3909 1 4597 4388 1 1 4502 1 1 1 1 1 3896 1 1 3929 1 1 4045 4273 1 4678 1 1 5043 1 1 1 1 1 4912 1 6208 5538 5168 1 5202 5148 4434 1 1 1 1 1 1 1 1 4877 6184 1 1 3951 4527 4751 1 5065 1 1 4888 5283 5066 5214 1 4541 4916 4839 5119 4509 1 1 329.7635 *330.0063* 330.0063@6.865216 1 1 1 1 1 1 29515 29398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0063 *330.0334* 330.0334@4.42384 1 1 1 1 1 1 15144 15084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9660 9235 1 1 1 1 1 2559 1 1 13783 13681 5474 6222 2870 2703 1 2042 1 1 1 1 1 1 1 1 1 1 1 1 8536 8541 1 1 1 1 5690 5446 1 1 1 1 1 1 13167 13512 1 1 6046 5552 5207 5868 1 1 1 1 330.0334 *330.0404* C13 H14 O8 S 38426 40769 25120 25797 29385 29790 18806 18778 23521 25708 40956 41373 24615 24533 27113 25911 24728 24457 21468 20922 25686 26682 26753 27874 26006 24483 28415 29642 31645 31903 28616 27564 29849 30697 32837 32924 28777 28001 31642 32714 26638 28752 29157 28153 24607 26006 27871 28345 24876 23648 24824 25857 23149 22190 24547 25745 24722 20543 26634 29483 38719 38858 34989 35345 26013 26797 22394 23112 16856 20239 26128 24821 27170 27148 26640 27563 27529 28406 27667 27284 25078 24958 33433 32703 25580 24718 32025 32713 27481 28346 330.0404 *330.042* 330.042@1.0409269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.042 *330.0443* 330.0443@1.0066179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15722 1 1 1 1 1 1 1 1 1 1 1 3170 1 1 1 1 1 1 1 1 1 330.0443 *330.0451* C10 H18 O8 S2 85590 81150 59582 59285 71846 72771 49228 42187 64042 64330 90524 100419 64274 66118 66002 66922 61197 61284 51685 53362 64839 66007 66414 67467 66423 62551 68965 71071 70094 33015 70984 70824 74357 71829 79648 84792 66802 67524 79615 76422 68920 71474 70872 69132 61199 68194 69237 69608 61688 63048 65783 65699 61946 59754 61224 63638 66790 4604 69955 69560 94563 95851 91888 91534 69299 68751 61316 62053 4217 55211 69672 68028 70455 69432 70551 73114 70127 68017 71891 70185 66215 64563 82824 83118 67525 68669 84460 84091 65087 74035 330.0451 *330.0452* 330.0452@0.9623447 1 1 1 1 1 1 1 8725 1 1 1 1 1 1 1 1 1 1 6611 1 1 1 1 1 1 1 1 1 1 9192 1 1 1 1 1 1 1 1 1 5152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60787 1 1 1 1 1 1 1 1 1 1 38852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0452 *330.0671* 330.0671@7.7035146 1 5715 1 1 1 1 1 1 1 1 4167 1 1 1 1 1 1 1 1 1 1 1 1 5965 1 1 1 1 1 2912 1 1 1 3202 1 1 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0671 *330.0771* 330.0771@13.483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0771 *330.0842* 330.0842@5.1400633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459019 456643 1 1 1 1 330.0842 *330.1381* 330.1381@0.8310495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1381 *330.1548* 330.1548@3.1669316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 330.1548 *330.2338* 330.2338@5.138802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2305 1 1 1 1 330.2338 *330.2554* 4,7,10,13,16-docosapentaenoic acid 1 1 1 1 1 3027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8611 8718 1 1 1 1 1 1 9815 3292 8607 11590 1 1 1 1 7069 7613 10376 11000 1 1 9226 7638 2870 12377 9461 10433 1 1 23233 20869 1 1 1 1 6086 4192 8378 8853 1 1 1 1 7296 7353 1 1 3292 1 1 1 1 1 1 1 7450 5114 6652 6743 3600 3898 1 3634 4317 5198 1 1 36903 36663 330.2554 *330.2566* 4,7,10,13,16-docosapentaenoic acid - 13.522585 4563 4171 1 1 4216 4178 1 1 1 1 4544 4872 1 3294 1 1 1 1 5839 5381 4310 4431 4787 5483 1 1 1 1 4959 5820 10393 9170 5881 6786 1 1 9446 6369 17445 18247 1 1 8011 8388 11656 3172 5792 5017 1 1 11449 10485 1 1 1 2472 3559 6082 6033 6293 1 1 1 1 5247 5085 1 3328 2911 1 7819 8288 1 1 3798 4885 4947 7120 5162 5163 3297 3187 4230 2605 5368 4333 1 1 17299 16431 330.2566 *330.2638* 330.2638@13.633318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2638 *330.275* 330.275@11.213737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.275 *331.0272* 331.0272@4.9424233 18053 16974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2869 2973 1 1 331.0272 *331.0319* 331.0319@5.748898 1 1 1 1 1 1 4842 4232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4139 3867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0319 *331.0492* 331.0492@0.9364799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4397 1 331.0492 *331.065* 331.065@6.884237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 2133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.065 *331.0681* 331.0681@1.1082841 1 1 1 1 1 1 3759 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3156 1 1 1 2491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0681 *331.1231* 331.1231@3.3853269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 2200 1 1 1 1 1 1 331.1231 *332.0477* 332.0477@0.9016814 1 1 1 1 1 1 1 1 1 1 3316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0477 *332.0664* Fluorescein 2537 2761 2686 2898 2879 3227 6681 6650 2660 2181 3625 3067 1 1 2823 2769 2604 2610 3973 4262 1 1 1 1 2123 2049 2111 2251 2772 3217 3455 3873 6475 6389 2447 2781 4769 4929 2860 2509 5419 4806 2946 2912 4791 5132 4242 4531 3178 3705 5966 5714 3486 3135 4714 4103 8283 7506 4724 5307 5135 5500 2794 2922 4862 4553 6305 5499 5365 6019 4929 4556 4000 3543 3614 3868 5742 5583 14726 13948 8154 8605 7077 6666 9968 9366 7999 8075 3525 3221 332.0664 *332.0794* 332.0794@3.6658962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0794 *332.0852* 332.0852@3.6705034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0852 *332.086* 332.086@1.0039418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.086 *332.0966* 332.0966@4.3209352 1 1 1 1 1 1 5913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7803 4577 1 1 1 1 1 1 3951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0966 *332.0995* 332.0995@5.2489924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 2781 1 1 1 1 332.0995 *332.1073* 332.1073@3.9171133 1 1 1 1 1 1 1 1 1 1 1 1 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1073 *332.1271* 332.1271@6.3814015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1271 *332.1368* 332.1368@13.476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1368 *332.1818* 332.1818@7.2406597 1 1 1 1 1 1 5686 5414 1 1 1 1 2783 2868 1 1 1 1 20938 21009 1 1 2498 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 2367 1 1 1 1 9893 9849 1 1 1 1 1 1 1 1 5453 5989 1 1 8082 8110 1 1 1 1 1 2318 1 1 1 1 1 1 5243 5052 5800 6228 1 1 3980 3568 1 1 1 1 332.1818 *332.1966* 332.1966@9.850158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2894 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1966 *332.2692* 332.2692@13.971638 1 1 1 1 2823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3893 1 1 1 1 1 1 4129 3648 6160 6845 1 1 1 1 6256 6642 9179 9392 1 1 6109 6260 3429 3623 4491 4373 1 1 15082 14727 1 1 1 1 5043 4750 5251 5743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3982 4276 5687 5732 1 1 1 1 3491 2984 1 1 22752 22442 332.2692 *333.0748* 333.0748@1.0639879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.0748 *333.0807* 333.0807@1.028037 1 1 2813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.0807 *333.084* 333.084@3.6662076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.084 *333.0856* C17 H19 N O2 S2 4863 4576 6543 6364 3470 3072 11715 11616 5846 7804 3938 6567 5740 3005 3829 5724 5633 5578 6363 5622 4002 6644 7008 5302 2919 3528 6610 8064 4632 5355 5657 4548 5849 8834 2689 3417 3711 3677 1752 3950 3963 3386 3617 4322 4924 3917 3984 4727 4253 4718 4632 4320 7896 4601 3871 3536 5360 5436 3103 3222 2880 5138 2724 1 10551 10443 4630 5659 6414 2879 5109 4337 2745 3608 2371 4946 2378 2523 9201 9418 3437 3836 7023 7656 4992 5984 4646 4889 5774 4911 333.0856 *333.1493* 333.1493@3.2294981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1493 *333.214* 333.214@6.8505616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.214 *333.2498* C13 H31 N7 O3 5596 6212 6335 6266 5876 6895 5695 6021 6218 6244 6892 6785 6824 6417 6943 6119 6385 6191 6532 6440 6542 6220 6839 6488 6614 6394 6289 6192 6559 6895 6783 6496 6608 6509 6447 6771 6474 6803 6311 6936 6999 6569 6562 6856 7135 6774 6480 6738 6669 6423 6725 7220 7225 6377 6955 6962 7052 6224 6858 6559 6621 6465 6412 6450 6912 6892 6496 6512 7107 6682 6326 6286 6582 8296 6236 6625 6507 6970 6396 7216 6318 6442 6382 6403 6680 7043 6949 6731 6506 6515 333.2498 *333.9285* C6 H4 Cl2 N2 O10 4984 2060 8723 4871 1 5093 5337 2859 1659 1 2814 2389 1648 4822 1 4510 1600 6937 6673 1580 5327 5273 1659 1821 1973 6236 4799 4714 1732 1549 3342 5592 8066 5594 1725 1772 4786 1856 6240 5502 6461 10597 4556 4399 3723 5179 5006 1 1649 1685 4651 1780 1 1774 1720 5380 4933 1860 1984 1 2106 2272 5207 2172 6424 4712 1 4236 1699 4612 6352 2274 5517 1 1 1657 3746 3607 4838 5097 4896 4625 2064 1950 1930 1832 4960 4579 4254 3560 333.9285 *333.9311* 333.9311@0.81364924 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4962 1 1 1 1 1 1 1 1 1 1 1 1 1 11453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.9311 *334.0136* 334.0136@5.1463504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15692 15131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0136 *334.0277* 334.0277@4.9103127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0277 *334.0286* C10 H10 N2 O11 25148 25946 26993 26999 28317 29401 28730 29018 29239 27546 30355 31262 31195 31282 29647 30081 31239 32968 26968 26750 29099 28357 27511 28465 31043 31177 32594 32851 27924 26614 34493 34919 36365 35631 35792 35874 36945 37008 35498 35967 35589 37397 31724 32043 37955 39772 34698 34256 38336 36926 37758 38413 32974 32507 38125 37704 38795 37462 31466 30101 34830 35475 37697 36661 41752 41328 39710 39747 39612 39874 38794 39206 35217 34683 40634 39921 36633 37944 36090 36030 33213 32219 36838 36415 35008 34846 36010 35424 36028 36412 334.0286 *334.0463* 334.0463@1.0429332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0463 *334.0599* 334.0599@1.0572975 1 1 1 1881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1557 1 4946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0599 *334.0689* C11 H23 Cl O5 S2 5513 1 5619 3814 7207 6979 1 1 5442 1 4040 1 1 1 1 1 1 1 4848 11242 4386 4694 1 1 7626 1 5398 7321 5591 6707 1 5444 1 2625 1 1 1 6506 4863 3882 4961 1 1 1 1 1 5382 1684 1 4324 8711 1 1 1 1 1 1 1 1 1942 4331 4328 3437 1 6030 1868 1501 1 3511 4457 3985 4566 1 3028 1 3518 5759 7475 1 1 1 2966 5216 1 1 1 1 1 5440 7780 334.0689 *334.0695* 334.0695@1.0694866 1 4986 1 1 1 1 1 1 1 3710 1 3848 6766 9688 5262 5513 7923 7007 1 1 1 1 7302 10253 1 7892 1 1 1 1807 6132 1 1 1 1 3082 6220 1 1 1 1 1 17323 18078 9496 7409 1 3840 5445 1 1 7170 2865 3574 3849 3125 1 1 6277 4963 1 1 1 1 1 1 4462 13540 1 1 1 1 3272 1 1 1 1 1 1 1 1 1 1 6437 1 1 1 1 1 1 334.0695 *334.0989* 334.0989@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0989 *334.0994* Penicillin G 4095 8529 4928 5390 5094 4449 1 6826 1 4137 5173 6204 5789 10984 4829 1 1 10142 9696 7595 8558 7615 5363 1 7307 11971 6426 11345 9849 5404 1 7597 10040 10951 9407 6906 14238 11421 12240 18972 12571 9878 15988 18114 16235 17416 11027 10991 10585 21053 10295 9132 17668 14219 19799 20349 12796 14294 22151 25561 19559 11887 15545 16262 16482 18733 18262 17336 1 18356 18988 19441 16954 22798 1 19985 24584 21573 12969 12456 21412 19103 22413 20824 18240 16937 15368 20219 20611 14628 C05551 334.0994 *334.0994* Penicillin G - 1.967217 1 1 1 1 3440 1 1 1 1 1 1 1 4261 1 1 1 4305 1 6021 4457 6257 5480 5428 5782 5165 1 4347 1 1 2721 4239 5201 5320 1 6272 8185 8967 12112 5909 1 5454 8006 14030 5967 12759 10168 8569 9338 2321 1 10222 4364 9189 2894 16462 17363 12794 15630 17118 14972 1 8602 11417 2162 14609 15708 16911 16797 35010 14966 1 4474 16597 10303 28743 9820 12281 15738 8430 1 1902 18274 3169 21156 8825 12925 5940 1 3260 1 C05551 334.0994 *334.0996* 334.0996@1.9691143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18275 1 21152 1 1 1 9212 1 2563 1 334.0996 *334.1002* Penicillin G - 3.6869733 1 1 1696 1688 1 1 1 1 1 1 2188 2195 1 1 1817 2136 1 1 2911 2851 1 1 2393 2121 2446 3257 3286 2491 2505 2606 2102 2301 2176 2296 1 1 4079 4508 2897 2227 2425 2534 3713 3609 2424 2900 4923 4807 3576 3574 2732 3607 3222 2980 3265 3989 4115 3412 4589 5098 4816 4455 2983 2893 2010 2071 5212 4997 2488 2569 5528 5663 3262 3541 2062 2084 3491 2781 5945 6488 7862 7728 5559 5245 4064 4617 5212 5355 2952 3829 C05551 334.1002 *334.1391* 334.1391@6.578681 1 1 1 1 1 1 1 1 1 1 1 1 2706 3366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1391 *334.1411* 334.1411@9.616842 1 1 1 1 1 1 1 1 3681 3261 1 1 3288 3185 1 1 3535 3127 3127 2922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1411 *334.2115* 334.2115@7.132557 1 1 1 1 1 1 1 1 1 2968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2115 *334.2122* 334.2122@9.15845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 1 2841 2956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2737 2966 1 1 1 1 18365 17370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2122 *334.2127* 334.2127@7.067125 1 1 1 1 1 1 1 1 4337 4278 7479 6594 17013 17284 1 1 1 1 3079 3038 1 1 23008 22594 1 1 1 1 5529 4876 1 1 16474 16815 17089 16227 1 1 1 1 1 1 2782 2682 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 5548 5416 1 1 1 1 3520 3642 2816 2385 1 1 6486 6855 20330 18793 1 1 1 1 1 1 1 1 1 1 1 1 4762 4644 1 1 334.2127 *334.213* 334.213@10.171149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5232 5592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.213 *335.0576* 335.0576@4.629796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7098 7514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.0576 *335.1187* 335.1187@0.9860296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1187 *335.1297* Trp Met 1452 1391 1128 1334 1665 1656 1 1 1352 1 1835 1896 1418 1 1653 1530 1449 1781 1540 1549 1 1 1401 1669 1522 1446 1373 1496 1 2173 1604 1972 2022 2013 1476 1552 2294 2324 1669 1686 1732 1913 2882 2566 1448 1662 1786 1807 2129 2124 1539 1 1631 1566 2524 2647 1798 1773 2197 2129 2766 2497 1511 1611 2704 2740 2286 2103 1620 1827 2235 2432 2367 2119 2120 1858 1967 2078 1852 1698 1996 1630 2043 2180 1980 2059 2314 2233 2117 1993 335.1297 *335.1326* 335.1326@11.038579 1 1 1 1 1 1 1 1 2878 2293 1 1 1 1 2823 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2338 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1326 *335.1719* 335.1719@7.5212517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 2495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1719 *335.1749* 335.1749@3.9789762 1 1 8994 10631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1749 *335.7976* C3 H3 Cl3 O4 S4 1 1 3864 3628 1 1 2748 7202 4325 1 1 1 3131 2768 5347 1 2942 3265 1 6055 1 1 5432 2861 2796 3012 2745 2669 2692 2615 2382 1 1 2577 2663 1 2510 1 1 1 1 1 2915 2848 5600 5209 4953 5659 3301 3008 3086 3160 2903 3148 4972 3018 2939 5742 1 4688 2539 1 1 1 4270 5245 2900 2873 7650 3516 2603 1 4231 1 1 3075 2988 1 1 1 5426 5240 2916 2969 4690 1 2944 2847 2847 5432 335.7976 *335.9874* 335.9874@5.365085 1 1 2365 1 1 1 4015 4333 1 1 1 1 1 1 1 1 1 1 5126 4729 1 1 1 1 1 1 1 1 1 1 1 1 3935 3761 1 1 3001 2940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.9874 *336.0535* C8 H16 O14 - 0.8864242 1 60609 45429 181368 194000 1 1 1 173797 1 143165 1 150594 168706 53115 1 72984 71008 136269 156157 52725 154174 65897 184741 60409 164236 184725 158399 183019 64436 64442 180891 1 66388 178046 71307 143713 184043 55923 1 169441 180313 182054 186738 77770 120913 95509 71851 1 64437 188101 175548 130897 159606 1 176016 1 60569 179846 51032 68239 116587 82341 196902 49098 177283 131886 65721 1 167106 1 146078 1 182637 1 1 146779 134129 44760 167001 104178 1 171940 187004 1 79692 163468 163465 198714 191381 336.0535 *336.0537* C8 H16 O14 170988 166662 122149 121574 121814 122706 85161 82846 106949 105037 141257 139542 108598 109032 115847 119117 104444 96552 94588 95551 122624 120215 114641 116162 117628 117563 128398 120088 135063 133762 107974 103371 118822 123487 131463 129089 128374 117330 129935 125876 113077 113015 117952 122373 109587 109957 110905 116342 110404 108738 103389 106247 91974 96691 101381 103429 92247 89001 111271 115980 144740 143985 142291 137262 105133 99001 99172 94641 82249 90266 100672 105744 114255 115359 108021 110686 121270 120303 108507 106925 109028 108768 135764 136615 104391 105362 123437 123780 121920 124661 336.0537 *336.0539* C14 H8 N8 O S 206820 145502 134016 1 1 194748 162561 144962 21527 176784 1 189153 1 19044 137353 180283 98957 78104 21464 25869 131036 32653 117324 1 119366 18498 1 1 1 123525 108138 1 188157 115524 29119 117431 18749 12805 133996 202480 18532 1 7870 2517 107632 37238 61170 85006 180284 121112 12984 20851 40936 13900 168462 8806 178178 118166 12555 126747 118057 48912 95716 4989 131241 12783 14221 107489 180689 10402 51629 28541 184499 1 183966 174565 12490 51864 123867 1 51659 184461 28147 12086 185935 1 30046 30708 7035 8432 336.0539 *336.0548* C9 H12 N4 O10 1 1 42682 42830 1 1 77964 82039 1 1 5988 1 24552 1 20076 35719 1 1 55097 1 1 57362 1 22842 67229 64796 3609 40079 1 4467 6801 21092 28867 1 26172 65807 86073 84275 53767 52654 62234 59621 55317 21036 21239 24863 26826 23630 20058 21701 1 1 23520 31401 1 1 64797 70223 30035 32730 60915 58710 1 30188 1 1 21095 1 1 32632 23605 27323 31932 67785 1 20942 23828 1 1 1 81349 32216 125697 1 104503 109369 25121 30151 27957 1 336.0548 *336.0556* 336.0556@1.323514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11453 1 1 1 1 1 1 1 1 1 1 1 1 1 47826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0556 *336.0568* 336.0568@0.9930141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0568 *336.057* C9 H21 Cl N2 O5 S2 8494 9173 7855 7750 10635 9504 1 21752 1 18402 28229 1 14416 1 3691 10498 8027 10617 1 1 8052 9572 9530 10657 5676 1 1 1 13047 8516 1 6488 1 6059 1 11920 11454 1 10001 1 8236 17986 1 1 6073 9098 11709 12302 14102 12656 1 1 8943 1 11469 1 7472 8747 1 8742 12718 10357 1 1 6420 1 1 1 1 1 4793 1 1 1 1 11437 1 1 11504 11252 1 1 1 1 1 57545 1 1 1 1 336.057 *336.0682* 336.0682@1.0519911 1 1 1 1 1 1 5985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2611 3275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 1 1 336.0682 *336.0743* 336.0743@1.0669397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5806 5089 1 1 1 1 336.0743 *336.0773* 336.0773@1.0627242 1 1 1 1 1 1 1 1 1 1 5767 7408 1 1 1 1 1 1 5428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.0773 *336.1136* 336.1136@0.9840399 1 1 1 1 1 1 1 1 1 1 1 1 1 3892 1 1 1 1 1 1 1 1 1 1 1 4281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1136 *336.1168* 336.1168@1.1895442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3281 3196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1168 *336.1759* C19 H28 O3 S 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1462 1329 1 1058 1 1 1 1 1 1 1 1 1287 1385 1 1 1295 1 1 1 1 1340 1 1660 1 1 1 1 1779 1602 1644 1 1 1 2134 1899 1610 1 1523 1663 1813 2117 2212 1955 1877 1887 3755 4018 1841 1660 1895 2162 1820 1982 2296 2223 2530 2678 2190 1990 1989 2243 2721 2545 2486 2654 2515 2940 3857 4403 2294 2214 3348 3121 1 1 336.1759 *336.2061* 336.2061@0.817272 1882 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2061 *336.2267* 336.2267@10.59093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4602 3119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2267 *337.0422* 337.0422@3.4064293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7087 6262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 5567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0422 *337.0562* 337.0562@1.3863764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4665 1 1 1 5413 1 1 1 1 1 1 337.0562 *337.0579* 337.0579@0.89704436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0579 *337.0732* 337.0732@4.350388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9561 9321 1 1 1 1 1 1 1 1 1 1 6483 6923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0732 *337.0894* 337.0894@0.9658048 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 4630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4018 4023 1 3596 1 1 1 1 1 1 1 1 1 1 1 1 337.0894 *337.0895* 337.0895@0.96931964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3924 1 1 1 1 1 1 5312 1 1 1 1 1 1 1 1 1 337.0895 *337.1006* 337.1006@0.9726761 1 6898 1 1 7693 7594 1 1 1 12983 4497 1 1 1 3971 4180 10944 10173 7324 7481 1 1 9112 8845 3353 3799 1 3644 3729 2376 5024 4297 1 1 1 1 3434 1 1 1 7243 1 1 1 4465 4633 6469 1 1 5493 1 1 1 1 1 1 1 1 3340 1 4377 1 1 1 5822 1 1 1 1 1 1 1 3775 1 1 1 1 1 8154 8020 1 1 1 3004 8855 9581 6107 6447 1 3381 337.1006 *337.1031* 337.1031@0.970376 1 1 1 1 1 1 20659 20244 13485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.1031 *337.1404* 337.1404@4.5610075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5129 5809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3349 3483 337.1404 *337.7932* 337.7932@0.8497968 1 1 1 1 1 1 1 1 1 1 1 1 1 4115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 3891 3975 1 1 1 4249 1 1 1 1 1 1 1 1 1 1 1 1 3366 3922 1 1 4599 4170 1 1 1 1 1 1 1 1 4790 1 1 1 1 1 1 1 1 4588 1 1 1 4652 1 1 337.7932 *337.7942* C6 H Cl3 O2 S4 3197 3004 4383 4377 4131 4220 4609 4819 4383 4190 2923 2941 4777 1 4249 4429 4715 4682 4356 4348 4514 4074 4499 4231 4545 4398 4216 4146 3596 2079 3746 3880 4024 3798 4128 4131 4287 3590 4301 3835 4054 4406 1 1 4657 4945 4499 1 4996 4634 4608 4710 4613 4713 4562 4904 4201 4558 4368 4462 1 1 3973 3814 1 1 4956 5167 5514 5473 3926 4112 4198 4280 1 4620 4613 4808 4693 4491 5132 5535 4512 1 4494 4527 4620 1 4390 4673 337.7942 *338.0508* 338.0508@1.1650829 1 1 1 1 1 1 2538 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0508 *338.0685* 338.0685@0.9169857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6785 10905 1 1 1 1 4289 1 1 1 1 1 5766 2787 1 1 1 1 1 1 1 1 1 1 3334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0685 *338.0707* 338.0707@0.9254657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0707 *338.0934* 338.0934@0.95069486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4392 1 1 1 1 1 1 1 1 1 1 19368 1 1 1 1 1 1 1 1 1 1 1 1 7360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.0934 *338.1007* C10 H22 N6 O S3 27759 23372 18333 15047 32477 33903 90640 92998 57693 58814 21435 22209 19192 19421 15470 15943 49788 48502 28670 28870 8923 8439 36551 38737 13268 12867 15631 14354 18353 17276 20693 21427 27028 25704 23997 24231 1 16645 9880 10662 30838 30869 10968 1 18969 18636 28249 28818 24954 19498 17563 14112 10789 11380 10365 10431 17685 16297 13391 12309 17546 18026 8297 9392 24735 24821 23288 21628 9992 9893 11229 9718 17632 15737 15732 15963 15088 15137 31836 33546 19986 19108 11659 13128 31442 32135 31387 31484 14201 14435 338.1007 *338.1961* 338.1961@13.469203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4628 3767 1 1 1 1 1 1 1 1 1 1 1 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5049 6932 338.1961 *338.2445* 338.2445@10.824356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15255 16215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2445 *339.0367* 339.0367@5.2313747 1 1 1 1 1 1 3005 3005 1 1 3240 2945 1 1 1 1 1 1 1 1 1 1 1 1 6962 7159 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2157 1 1 1 1 1 6222 6176 1 1 1 1 1 1 1 1 6043 5951 1 1 339.0367 *339.0873* 339.0873@0.97830504 1 3784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4392 4846 1 1 1 1 339.0873 *339.0969* 339.0969@0.952948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1851 1 1 1 1 1 339.0969 *339.166* C21 H25 N O S 3595 4173 22224 23793 3853 4264 34536 36042 31354 30812 11247 11843 31338 30851 23536 24592 8835 9069 17678 17502 1 1 1 1 1 1 5918 6356 1 1 1 3510 14743 14155 8298 7661 3846 4270 13144 13044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6641 6850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.166 *339.187* 339.187@2.2659993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5806 5866 1 1 339.187 *339.2002* 339.2002@13.236648 1 1 1 1 2847 2921 1 1 1 1 1 1 3567 2610 1 1 1 1 1 1 4187 3788 1 1 1 1 1 1 1 1 24137 27324 3284 3062 1 1 3910 4691 26076 27529 1 1 3370 4181 3043 3455 4114 4147 1 1 10597 15922 1 1 1 1 3684 2663 6714 6979 1 1 1 1 1 1 1 1 1 1 1 2257 1 1 1 1 1 1 1 2243 1 1 1 1 1 2450 1 1 19766 21324 339.2002 *339.2026* C14 H25 N7 O3 10401 9306 10701 11409 10493 10046 10746 12127 11660 11858 9617 10591 10386 10424 10188 11942 10951 11222 11290 11042 11577 12903 11960 11080 10457 11322 10487 11183 10929 11501 11443 11088 11277 11426 12369 12172 11821 12521 12016 13355 12170 12121 11937 11481 11358 11915 11744 12339 12480 11054 12325 12292 11881 12392 10828 12408 12411 11398 15133 14105 12863 12563 11386 11532 16672 15551 13751 13512 12979 13104 14495 13677 14019 12840 12394 13231 12526 13144 14219 12263 13289 12438 12826 12648 12516 14120 12833 12665 12768 12576 339.2026 *339.7935* 339.7935@0.8460189 1 1 2928 2720 2491 2504 2736 3082 1 2919 1 1 2704 2773 2704 1 3036 1 2770 2790 2436 1 2920 3003 1 2965 2586 1 2787 2611 1 1 2592 2607 1 2559 1 2668 2772 1 2997 2929 1 2724 2916 3020 1 2665 2939 3416 1 3037 3150 3104 2850 3181 2742 3146 2695 2908 1 1 2455 1 1 3029 3025 2970 3505 3712 1 1 2885 2984 2974 3060 2995 3439 3105 1 3391 3411 3048 1 3094 2980 3215 3010 3169 1 339.7935 *339.8763* 339.8763@0.8452433 18772 1 1 1 1 1 1 1 1 1 34418 1 1 1 1 1 1 1 1 1 5844 1 1 1 1 1 16165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7052 1 1 1 1 1 3680 1 1 1 1 1 3881 1 1 1 1 1 1 4011 1 1 1 1 339.8763 *339.9828* 339.9828@4.272745 1 1 3833 3795 1 1 6171 6347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 2435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.9828 *340.0627* 340.0627@3.6475675 1 1 1 1 1 1 1 1 8585 1 1 1 1 1 1 1 7408 6842 1 1 7118 6684 1 1 1 6222 1 1 5686 3123 5766 5969 1 4837 5076 5200 5328 5570 1 1 5271 1 1 1 1 1 4638 1 1 1 1 1 1 1 1 4148 1 1 1 1 1 1 3195 3509 1 3931 4290 1 1 1 1 1 3932 1 4087 4233 1897 1 1 1 1 1 1 1 1 1 1 1 1 3506 340.0627 *340.0629* C24 H8 N2 O 9664 9371 10615 10335 7731 8225 6529 6429 1 9046 8043 8480 6101 6510 7112 7464 1 1 6813 6825 1 1 6764 6568 6369 1 6319 6091 1 2268 1 1 4953 1 1 1 1 1 5268 4980 1 4847 4308 2440 4361 4866 1 4197 4808 1 4598 4134 4416 4588 4218 1 4735 4186 2754 2621 3396 1 1 1 4343 1 1 3646 4005 1 2175 2954 1 2337 1 1 1 1 2897 2798 3370 1865 1 2126 2609 2789 1692 1 3371 1 340.0629 *340.0647* C13 H24 O2 S4 12223 11926 6779 5419 11781 12400 19529 18942 9232 9764 1 1 4746 5092 1 3058 21560 20275 6457 6130 1 2486 4225 4688 6617 6121 2679 1 5191 4673 6767 4623 3560 3479 3206 2988 1 1 2835 1 7151 7118 7481 7231 1 1 1 1 3855 3630 8328 9166 1 1 1 1 5591 5143 1 1 3222 3271 1 1 5843 5642 7774 8392 1 1 7001 6773 3200 3202 3640 3336 4409 4544 7158 7028 1 1 4714 4623 18921 18960 4867 5133 3989 4409 340.0647 *340.0803* 340.0803@4.928627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8881 8830 340.0803 *340.0974* 340.0974@6.8705416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17678 17813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.0974 *340.1156* C13 H28 N2 S4 4291 4423 3092 2993 2337 3088 5548 5433 1 2692 2292 2844 1 1 1 1 2793 2713 3646 3923 1 1 1 1 1 1 1 1 1 1 3548 2977 4491 3858 3259 3346 2910 2448 3516 3566 3775 4068 1 1 2695 2943 4691 3058 4062 3577 2205 2978 1 2542 2608 2602 3253 4430 2247 1 2062 1998 1566 1 5009 2796 3009 2388 1 1 2629 2654 2349 2277 1 1 2567 2692 5738 5330 3488 4709 2586 2355 5226 5890 5055 4481 3042 2900 340.1156 *340.1714* 340.1714@4.1765666 1 1 1 1 1 1 1 1 1 1 1 1 42036 41680 1 1 6448 6638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2986 2894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1714 *340.1811* 340.1811@0.86450255 1395 1480 1 1 1 1 1 1 1 1 1458 1449 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1292 1 1 1 1 1 1 1 1 340.1811 *340.2047* D1-2-Hydroxymethylethisterone - 13.439987 1 1 1 1 6068 6491 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 7597 6945 1 1 1 1 3811 1 8786 3712 8686 8492 5691 1 4126 1 4664 7666 12148 10766 1 1 1 5358 1 1 7980 6402 1 1 6807 10841 1 1 1 1 7417 5157 3853 3908 1 1 1 1 1 4122 1 1 1 1 1 1 1 1 1 1 3288 3914 4579 4350 1 1 1 1 5955 6005 1 1 7328 10217 340.2047 *340.2052* 340.2052@14.0205 1 1 1 1 1 6980 6344 1 1 1 1 1 1 1 1 1 1 1 1 1 6186 6558 1 1 1 1 1 1 7961 1 7633 7029 6583 1 1 1 7518 1 10688 8383 1 1 1 1 1 1 5038 5300 1 1 8554 7798 1 1 1 1 5093 1 5019 3505 1 1 1 1 1 4773 1 1 1 1 1 1 1 1 1 1 1 1 4936 4808 1 1 1 1 1 4285 1 1 6491 1 340.2052 *340.2053* 340.2053@10.883006 1 1 1 1 1 1 5544 1 1 1 5941 1 1 1 1 6542 1 1 1 1 6339 1 7807 5702 1 1 5908 1 1 1 1 1 1 1 6292 1 6771 1 1 6620 8414 1 1 8239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2053 *340.2054* D1-2-Hydroxymethylethisterone - 11.350735 10702 9885 12196 11499 10623 9818 13302 9789 10868 12025 10018 1 8628 11146 11383 11606 11295 9048 275156 10709 13681 10775 11883 9676 1 9689 11426 10571 7915 1 1 1 12169 1 8271 10093 6717 8788 10112 7378 231208 1 8648 9913 10972 10411 1 9886 10224 11840 11393 1 12324 9464 11671 10474 10513 189228 8613 7202 9615 7746 1 10136 1 7095 1 8012 9415 7344 6437 7934 9420 6620 9246 9483 8745 198891 7294 1 7106 8259 6710 7545 1 8932 8241 197039 1 1 340.2054 *340.2054* 340.2054@14.560532 1 1 1 1 1 7339 3145 1 1 1 4583 1 1 1 1 1 1 1 1 1 9087 7779 1 1 1 1 1 1 1 1 8902 1 1 1 1 1 5259 12992 8864 6169 1 1 1 1 1 1 5663 7006 1 1 8132 9670 1 1 1 1 8680 1 1 1 1 1 1 1 1 7078 1 1 1 6252 1 1 1 1 1 1 1 6628 8277 9313 1 1 1 1 6901 1 1 1 1 9961 340.2054 *340.2055* D1-2-Hydroxymethylethisterone - 11.471997 37833 36861 39972 39111 38420 35762 39618 39248 36914 40408 36314 38339 40125 36892 41112 41586 39866 39970 39131 39595 36788 33811 41670 37722 37364 37951 37611 37805 38235 33557 35076 31366 35058 33628 38505 37550 30402 33258 32421 32321 37011 33149 38383 33449 34232 35944 36518 34129 34442 37050 32771 34052 36874 38738 36005 38228 34455 31567 29708 30836 29960 31032 30212 30570 24731 20411 24681 27381 24895 26166 26973 22448 24680 26267 27912 27524 28924 27255 26069 24511 24258 26201 24791 28233 27701 26812 28269 26455 23023 29601 340.2055 *340.2056* D1-2-Hydroxymethylethisterone 270286 280735 287812 9057 284944 272583 279203 292599 292343 287867 204467 291628 226205 279455 289598 262274 6429 7451 6085 268305 274508 278759 272507 285325 282256 277716 276672 4211 229781 162203 264345 263784 7671 271359 286659 285224 254464 262712 247986 202160 51899 264029 222305 258839 264741 260327 251230 4649 10092 282829 243389 252982 279793 276150 8512 6321 7755 41834 5917 216767 230578 216828 223639 6921 188650 207059 192722 211397 203790 200516 207258 198292 197167 164322 158812 199927 181941 6284 189474 177986 187084 198424 189790 152193 182221 4035 196682 5737 174874 156094 340.2056 *340.2056* 340.2056@11.103829 1 1 1 292761 1 1 8630 1 1 1 5362 1 1 1 1 6418 287792 287977 1 1 6144 1 10443 10170 1 1 9126 277513 1 1 1 1 271661 1 2398 1 9005 1 1 8627 1 1 1 4757 1 1 1 263137 275503 1 1 1 1 1 266625 263390 252788 1 200830 8163 1 1 1 231909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195732 1 1 1 1 340.2056 *340.2056* 340.2056@11.21842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2056 *340.2066* D1-2-Hydroxymethylethisterone - 14.223754 1 1 6125 1 7579 8435 7759 1 1 1 3233 1 1 1 1 3866 1 1 4337 1 9171 10097 1 3936 1 1 4406 4561 15254 12387 19870 21622 7661 1 1 1 12569 10411 25744 24394 1 1 1 9805 9005 12723 14066 12159 1 1 24733 24794 1 1 1 1 9692 11545 8862 6611 1 1 1 1 4094 4199 1 1 1 3005 1 1 1 6253 1 1 4334 6604 10390 7610 1 4693 1 1 5188 6314 1 1 25626 28259 340.2066 *340.211* 340.211@13.072345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6362 1 1 1 1 6513 7337 1 1 7546 5142 1 1 1 1 1 1 6534 1 1 1 1 1 1 1 6368 6478 1 3132 3432 5828 5145 5163 5019 4984 5600 1 6150 5215 4621 5829 5026 5383 7126 1 6082 6238 5649 5816 4829 4819 5832 5046 3817 5284 8951 9298 340.211 *341.0162* 341.0162@2.973154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 2686 1 1 1 1 1 1 1 1 1 1 1 1 341.0162 *341.0202* 341.0202@8.111343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25021 25652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.0202 *341.0674* 341.0674@5.332156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1908 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.0674 *341.0737* 341.0737@3.166174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 2940 341.0737 *341.2084* 341.2084@11.261863 1 1 1 1 1 1 1 1 1 1 1 1 35569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5311 1 1 1 1 1 1 1 1 1 30848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11719 1 1 13666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11325 1 1 1 1 1 1 341.2084 *341.2086* 341.2086@11.2895155 23834 1 1 1 1 6517 1 1 1 1 22439 1 23779 1 1 12895 1 1 1 1 1 1 1 1 7981 1 1 1 1 4361 1 1 1 1 1 1 1 1 1 16478 1 1 1 1 1 8087 1 1 1 1 1 7994 1 1 1 1 1 1 1 1 1 1 1 1 17065 1 1 1 1 8534 1 8575 1 1 1 1 18692 1 1 1 1 1 5586 21726 1 1 7055 1 1 1 341.2086 *341.209* 341.209@11.335876 1 1 1 1 1 1 1 1 1 1 1 1 8022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.209 *341.2149* C25 H27 N 21769 22455 18727 21620 26590 26229 21719 22263 18646 16906 21047 23737 23246 22078 18491 18938 18875 19068 21817 23588 30003 30600 21856 20663 20093 20211 20120 19807 26979 23507 29115 30494 29653 25941 18960 18358 26044 26361 34626 32751 20762 18964 23676 25747 25783 25383 24877 25350 19743 19005 29570 29429 20913 20274 22653 20570 23817 18364 22351 18553 11663 11892 9785 11519 18840 20219 13263 15720 15876 15807 15916 15515 16476 16040 15084 14990 15980 16078 21232 25086 16694 15805 13942 14568 19438 19524 10024 9102 23476 25475 341.2149 *341.9526* C14 H8 Cl2 O4 S 13361 12732 12982 12193 10834 10392 12812 12592 9733 9861 8232 7673 7823 8354 7772 7330 7878 6941 6648 6662 5165 4962 6252 6064 6473 6223 6438 6100 6778 6748 4120 4829 5823 5931 6101 6045 5517 5460 5557 5520 2663 5418 4673 5091 4552 4838 5283 4539 4970 4508 1 1 3453 4596 4037 4367 3930 3947 4198 3966 4691 4282 4126 4141 1882 2418 2783 3380 3353 1811 3585 3575 3508 4005 2123 2337 2150 2015 2329 2135 4802 3201 3679 3878 2262 2930 3617 3022 2885 3079 341.9526 *342.0737* 342.0737@6.6001453 1 1 1 1 1 1 1 1 5171 5644 1 1 1 1 1 1 1 1 1 1 1 1 14168 12414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11152 10289 1 1 4692 4149 1 1 1 1 1 1 12400 12749 1 1 1 1 1 1 1 1 1 1 1 1 15503 15158 1 1 1 1 1 1 1 1 19577 19850 11436 10644 13415 12776 1 1 1 1 342.0737 *342.0791* 342.0791@5.2114067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16713 17215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.0791 *342.0852* 342.0852@1.9280378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4875 1 1 1 1 1 1 1 1 1 1 1 6142 6640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3936 1 1 3825 1 7368 7061 5857 5786 6451 1 1 1 6313 6539 1 1 1 1 342.0852 *342.1045* 342.1045@9.892152 1 1 1 1 1 1 1 1 1 1 1 1 4987 5141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1045 *342.1062* 342.1062@8.407482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5180 8546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11835 11205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2064 16148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1062 *342.1071* 342.1071@8.386437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8993 4881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5141 5246 1 1 1 1 1 1 1 1 1 1 1 1 2781 3011 1 1 1 1 21151 20971 1 1 1 1 1 1 1 1 1 1 15720 2425 1 1 1 1 1 1 1 1 1 1 2369 2393 1 1 1 1 1 1 1 1 1 1 1 1 342.1071 *342.1136* 342.1136@1.0005611 1 1 1 1 1 1 4557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8412 7926 6501 6938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7503 7186 1 1 1 1 1 1 1 1 342.1136 *342.1142* 342.1142@1.0084174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40545 39374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1142 *342.1451* 342.1451@3.467291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18645 19237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1451 *342.2069* 342.2069@11.281745 1 8158 1 1 9745 1 1 1 1 1 1 1 1 1 1 1 1 1 9827 1 1 1 1 6535 5872 1 8825 8192 1 2882 3400 1 1 1 3481 1 1 1 5889 6738 1 7820 1 5269 1 1 5616 1 1 1 19009 12304 1 1 7998 6443 1 7339 1 1 1 1 1 1 1 1 4306 4493 1 1 1 1 1 2689 1 1 1 1 1 5881 1 1 5437 12263 5053 1 2707 1 1 1 342.2069 *342.2111* 342.2111@11.2839985 1 1 14337 13139 1 9269 9936 10563 12011 11943 8267 9507 1 10167 12634 12371 1 1 1 8790 1 1 1 1 1 1 1 1 12085 10332 1 1 1 1 1 1 10756 11420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9015 1 1 1 1 1 1 1 1 1 342.2111 *342.2745* 342.2745@12.254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2948 2502 1 1 1 1 1 1 1 1 1 1 3768 3522 1 1 1 1 1 1 8978 8678 1 1 5143 5216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2745 *343.0048* 343.0048@0.90904135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.0048 *343.0314* 343.0314@3.1253564 2708 3206 1 1 1 1 1 1 1 1 1 1 2674 2965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5356 5246 1 1 1 1 1 1 1 1 1 1 6003 5670 1 1 1 1 1 1 4584 4637 1 1 1 1 1 1 1 1 1 1 1 1 4523 4386 1 1 1 1 1 1 4789 4718 343.0314 *343.0316* 343.0316@4.433711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2779 3119 1 1 343.0316 *344.0156* 344.0156@4.7198873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4032 4277 1 1 1 1 1 1 1 1 344.0156 *344.0975* 344.0975@6.150255 5461 5953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.0975 *344.1009* 344.1009@0.9504331 1 1 1 1 1 1 8810 7675 1 1 1 1 1 1 1 1 4616 4326 1 1 1 1 3539 3555 3076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3771 3713 1 1 1 1 1 1 1 1 1 1 3390 3840 3270 3340 1 1 2998 2584 1 1 1 1 3585 3762 1 1 1 1 1 1 1 1 1 1 3898 4449 3537 1 1 1 2805 3738 1976 2163 1 1 344.1009 *344.1271* 344.1271@7.394208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4994 5015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1271 *344.1452* 344.1452@5.652005 1 1 1 1 1 1 3862 4135 4330 4518 2690 1 1 1 1 1 3545 3739 1 1 1 1 4296 4564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5317 1 1 1 1 1 1 1 1 3918 4179 3621 3894 1 2746 1 1 1 1 2369 2441 1 1 1 1 4142 4098 1 1 1 1 1 1 3823 4312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1452 *344.9955* 344.9955@0.86592746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.9955 *344.9993* 344.9993@6.7615623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5702 5370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.9993 *344.9996* 344.9996@2.256524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 7674 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2301 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 344.9996 *344.9998* 344.9998@8.390666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4189 4802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7205 6574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.9998 *344.9999* 344.9999@1.1670743 1 1 1 1 1 1 1 1 1 1 7409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.9999 *345.0001* C21 H3 N3 O S 1 1 1 1 1 1 1 1 1 1 1 1 1 5126 4660 1 1 1 5595 5161 1 1 1 1 1 1 8355 7546 1 2979 1 1 1 1 6019 1 1 1 1 6442 1 1 1 8516 1 7607 1 1 1 1 1 1 6734 1 6714 1 1 7556 1 8761 11043 10275 1 1 7773 7602 1 7682 6639 1 5803 7243 7805 8813 9417 6520 1 9529 7026 7275 7254 10551 10603 6004 5886 6221 7048 3883 1 1 345.0001 *345.0001* 345.0001@7.7030764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2865 1 1 1 2923 3104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3473 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0001 *345.0002* 345.0002@1.7794764 1 1 1 1 1 1 1 1 1 1 6093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8690 1 345.0002 *345.0003* C8 H11 N O12 S 10330 11251 27306 29645 17848 17345 17619 16547 34344 35201 16019 27601 15536 14491 21113 19957 25289 22530 14759 15061 12547 12539 22828 23792 12963 12411 13871 13712 9777 10048 13208 12751 8533 9338 15219 12939 21244 22225 19026 18931 12632 13204 31638 30651 36704 38111 32193 37816 25479 27770 25893 23890 15909 15000 18440 17879 30325 28148 31923 25358 25925 27356 27976 26637 22553 22415 32364 29684 25730 24099 12522 14034 19989 20259 25853 28365 24890 24156 18728 19294 26896 25202 31838 33750 15454 15430 17880 17169 7865 8687 345.0003 *345.0003* 345.0003@8.286385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10732 9959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0003 *345.0004* C17 H3 N3 O6 - 3.6473017 5740 5559 7980 8300 5765 5147 4486 4184 6799 7474 8357 7667 6075 6499 8782 8214 5327 4725 7709 7038 5524 7328 9017 8544 7669 7113 7317 8631 6525 7356 6757 6552 3952 3733 4233 4487 8265 6004 6263 6089 7310 7131 9069 9553 5670 5657 8051 8103 8621 9771 7012 6665 6912 7358 9207 9448 7143 6715 8145 7891 10364 11253 6916 6320 5084 5905 7472 7085 7620 8462 9519 9271 8022 8404 7670 7070 9081 9258 6703 7982 9011 8420 9438 10427 7001 6980 8111 6963 5573 5515 345.0004 *345.0004* 345.0004@2.8670814 2808 1 1 1 1 1 5762 5822 1 1 1 1 3284 3187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 345.0004 *345.0004* 345.0004@1.4669805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0004 *345.0005* C9 H7 N5 O8 S 18622 17904 24442 15499 17984 17962 6612 11155 23202 14711 9542 29694 14485 24425 19195 14161 1 13417 21520 23957 1 1 23635 16741 25943 4035 1 1 28100 11270 23495 16112 11201 21230 23904 12599 25338 26767 15935 14191 1 14867 1 19588 11763 18682 30690 18825 20504 25961 14864 9784 9571 11731 22486 26422 1 11772 29522 22176 38116 23006 24655 7910 1 1 11956 35122 1 1 21128 1 1 1 1 1 15417 13203 1 1 16150 25661 1 1 1 1 23915 14286 17230 1 345.0005 *345.0005* 345.0005@3.4836571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4463 6102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0005 *345.0006* C9 H7 N5 O8 S - 1.7570152 10976 1 1 12157 1 12060 1 1 1 11447 8707 1 12626 1 14638 15699 9736 10639 1 1 21070 9596 1 1 1 26395 27080 24452 1 4876 1 7762 11968 1 1 9580 1 1 8152 9148 9056 8936 11461 13802 1 7412 1 13022 20774 12451 9131 1 12249 10120 1 1 19537 8653 1 9067 14407 29123 1 16070 26974 29505 21535 1 24304 27904 23540 43861 31736 34496 25015 28201 12275 18024 13836 27915 22526 9544 43706 47704 35914 27501 13986 19441 1 28615 345.0006 *345.0006* 345.0006@2.2689762 10911 8844 8098 8631 1 1 1 1 7372 7698 3484 1 6800 1 1 1 1 1 1 1 6649 5806 6411 1 8138 9346 1 1 8552 2662 1 2603 1 1 1 1 8064 8348 4189 1 5508 5319 8156 1 7036 1 4273 8097 7585 7823 1 5016 1 1 1 6002 8162 1 7000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9061 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0006 *345.0006* 345.0006@6.70112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0006 *345.0006* 345.0006@1.7101302 1 1 1 1 1 1 1 1 1 1 8578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.0006 *345.0007* 345.0007@1.083206 1 1 1 1 1 1 1 1 5671 5181 2857 1 1 1 1 4534 1 1 1 1 2879 1 1 4892 1 3592 3931 3977 4017 2719 1 1 3329 1 5188 1 4016 3926 3174 5013 1 2916 1 1 1 1 1 1 8083 5833 1 1 6632 6555 1 1 1 1 4188 2140 1 1 1 1 2035 3663 1 1709 5011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3406 1 1 1 345.0007 *345.0009* C17 H3 N3 O6 - 3.1640968 3736 3229 4663 4719 5033 4662 1 1 4537 4902 4577 4757 3667 3303 5301 3836 4571 4527 3596 4365 4788 3711 4583 4707 1 4528 4703 4799 4302 4349 3866 4561 5073 4081 4338 5360 4960 4952 4106 4627 4224 5261 4695 4502 4242 4370 3406 3472 4995 5105 4524 4246 3785 4302 4690 3679 4537 4215 3721 3654 5590 5680 4282 3771 3871 4207 4746 3887 4665 4562 4827 4546 4308 4715 4234 3867 4443 4147 4919 4776 4694 4593 5314 5069 5269 4249 5414 4923 4398 3120 345.0009 *345.001* 345.001@0.9718466 1 1 1 1 1 1 1 1 1 1 22502 1 1 5671 1 1 1 1 1 1 1 1 1 1 3869 1 3386 1 1 3521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.001 *345.0011* C17 H3 N3 O6 32914 30857 22495 21777 25426 27337 21436 22988 19917 21667 2743 24539 30917 24352 23234 19348 19356 20920 32736 29276 26684 26570 44946 43704 18082 23554 16318 23179 33823 28515 25492 26044 32566 32311 25409 23330 25277 27748 32467 32047 26261 24536 26461 28384 18435 18405 24228 26841 28798 26663 17151 17461 15791 14196 28235 27182 31140 28445 36011 36970 21663 23267 2773 13749 30279 33329 17968 17285 30489 24021 28400 29838 28155 28384 19884 20719 22256 24430 22526 24568 24666 23734 20786 19415 16079 14613 26221 26069 25731 24000 345.0011 *345.067* 345.067@1.1220437 1 1 1 1 1 1 1 1960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.067 *345.0996* 345.0996@1.199941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 345.0996 *345.2855* 345.2855@12.824026 1 1 1 1 1 1 1 1 1 1 4658 5047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5026 4975 3249 2719 1 1 1 1 13263 12275 10274 9722 1 1 2111 1 6602 5834 3444 4111 1 1 2335 1 3140 3791 1 1 3690 3751 1 2874 1 1 1 1 8133 7726 3049 2848 1 1 1 1 9006 9348 1 1 1 1 5282 5374 1 1 1 1 1 1 1 1 1 2633 345.2855 *345.8249* 345.8249@0.8470181 1 3589 4787 1 1 1 1 1 1 1 1 1 1 1 4590 1 1 1 1 1 1 1 1 1 1 4827 1 4427 1 2036 1 1 4324 1 1 3783 7297 4684 1 1 5016 1 1 4397 5603 1 1 4849 1 1 1 4841 1 8386 1 1 1 1 7458 1 1 1 1 5983 8571 4590 1 1 5654 1 1 4534 4770 1 1 4984 1 5553 1 1 1 1 4803 5722 1 1 1 4720 1 4833 345.8249 *345.8251* C7 H Cl3 N2 O2 S3 3355 1 1 4677 4562 4069 4595 4851 4732 8244 3383 3065 4567 5536 1 4553 13031 4974 4454 12413 4612 4832 4562 4517 4873 1 9066 1 4618 2459 4275 6024 1 4488 4344 1 1 1 4186 4521 1 4619 4388 1 1 5261 4997 1 5309 5007 4670 1 4779 1 5935 5024 7507 8983 1 7652 4037 7470 7168 1 1 1 5172 5316 1 5595 4885 1 1 10250 4786 1 4925 1 4932 4918 5070 5061 1 1 4738 4901 4745 1 5057 1 345.8251 *346.0032* 346.0032@1.7248641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4116 1 1 1 1 346.0032 *346.0124* 346.0124@5.374388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3822 3609 1 1 3606 3701 1 1 346.0124 *346.0684* 346.0684@1.1217518 5364 4214 1 1 6140 3968 10702 11557 1 2686 1 1 3418 1 6875 3783 5300 4942 3017 2726 4709 3498 3508 5357 1 1 7752 6991 3838 1 1 1 3821 5994 6482 7198 1 1 1 1 6497 5073 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3021 2762 1 1 346.0684 *346.0753* 346.0753@5.353152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3382 1 1 1 1 1 346.0753 *346.0798* 346.0798@5.2439957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450141 1450077 1 1 1 1 346.0798 *346.1063* 346.1063@6.6157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 5442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1063 *346.1413* 346.1413@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1413 *346.1606* 346.1606@5.549752 1 1 1 1 1 1 4938 5067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9999 10216 1 1 1 1 1 1 1 1 1 1 1 1 2536 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14827 15518 1 1 346.1606 *346.1614* 346.1614@5.618021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 2727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5692 7067 1 1 346.1614 *346.2089* 346.2089@12.792007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 2623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2836 3026 346.2089 *347.0577* 347.0577@2.8515189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3877 4051 1 1 1 1 1 1 1 1 1 1 347.0577 *347.0614* 347.0614@1.2246988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 3331 1 1 1 1 1 1 1 1 1 1 2544 2455 1 1 1 1 1 1 1 1 1 1 10505 9326 1 1 1 1 1 1 3170 2751 1 1 1 1 1 1 3921 3806 6513 6462 2237 2396 1 1885 1 1 2113 1 1 1 1 1 10312 10877 2282 2263 1 1 1 1 1 1 1 1 1 1 1 1 4537 3931 1 1 347.0614 *347.0928* 347.0928@5.106471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4070 3881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.0928 *347.8229* C5 H Cl N2 O4 S5 4071 4327 5921 5788 5466 11294 6094 5753 13694 5672 4096 4286 5872 5689 5694 5610 6265 6436 5981 5998 5735 5665 5831 5706 5497 5681 5677 5606 5829 5599 4941 5743 5232 5436 4968 5267 5775 5495 5366 5203 5628 5648 5752 5863 6246 6387 6077 5723 5929 6225 5458 6053 6249 12924 6223 6164 6045 6048 5871 5410 4992 5078 4836 4955 5939 5262 6152 6506 6696 6729 5665 5386 5992 6143 5963 6047 6275 6430 6089 6142 13732 6607 5738 5838 6081 6216 5742 5440 6138 6172 347.8229 *348.053* 348.053@1.1609164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 3182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.053 *348.0809* 348.0809@1.1341016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0809 *348.0827* 1-Naphthoic acid glucuronide 12660 12425 1 1 6754 6420 7336 6996 1 1 1 1 5702 5128 7828 8112 1 1 3147 7168 6352 5783 5156 5717 7527 8121 6354 6025 8121 4448 4392 4706 5616 6042 4772 4755 3398 3762 2308 1 9615 9558 1 1 1 1 1 1 1 1 1 1 3955 3786 1 1 1 1 1 1 1 1 1 1 6120 3425 1 1 2761 3995 1 2996 1 1 1 1 1 1 1 1 1 1 1 1 3884 4258 6204 7105 4202 1 348.0827 *348.0944* 348.0944@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.0944 *348.1142* 348.1142@3.1314259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2281 2385 1 1 1 1 1 1 1 1 1 1 348.1142 *348.1149* C25 H16 O2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 1669 1 1 1 1 2135 2096 2303 2332 2203 2234 1913 2136 1 1861 2545 2844 2524 2378 2818 2965 2425 2086 2416 2192 1991 1 2364 2259 2503 2611 2694 2453 4226 3154 3784 3140 3927 3204 3199 2984 348.1149 *348.154* 348.154@9.893152 1 1 1 1 1 1 1 1 1 1 1 1 4345 4632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.154 *348.1656* 348.1656@4.5417414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1656 *348.2258* C16 H32 N2 O6 6771 6327 5631 5276 11072 10535 5829 6867 1 1 5333 5834 7415 7454 2186 1 3986 3665 8534 8528 13306 13439 6292 6175 1 1 4510 4761 13293 8098 15653 16319 10808 11015 3370 2461 20194 19480 28423 28543 6723 6362 9687 9019 14903 14845 14477 13722 4999 5471 26190 27242 6372 6599 7438 6607 16046 15820 15208 15654 6294 6179 1 1 9226 9669 7721 8249 6494 6565 8198 8239 8683 8291 9794 9840 9995 10290 16809 16123 8048 8141 6843 6880 19784 19518 1 1 41234 40867 348.2258 *348.226* 348.226@13.589918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4504 5366 348.226 *348.9499* 348.9499@7.0076714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.9499 *348.9826* 348.9826@4.129561 9394 1 1 1 1 4544 6375 6733 1 1 1 2137 3472 3766 1 1 3205 1 1 1 1 1 1 1 6124 7085 1 1 4411 2207 1 1 8663 8834 1 1 4752 1 1 1 2975 1 3344 3594 1 4222 1 1 2879 2929 3322 2951 1 1 1 1 4487 4573 1 1 2717 1 1 1 4487 4347 1 1 1 1 1 1 1 1 1 1 1 1 6012 1 3004 1 1 1 1 1 1 1 1 1 348.9826 *348.983* 348.983@4.12638 1 8812 4160 4155 5003 1 3164 2473 4290 3575 1 1 1 1 1 2388 1 3136 2905 2820 1 1 1 1 1 1 3368 2769 1 2018 1 1 1 1 6635 6504 1 4503 1 1 1 2521 1 1 4683 1 1 1 1 1 1 1 2610 1 1 1 1 1 1 1 1 2577 1 1 1 1 2549 1 1 1 1 1 1 1 1 1 1 1 1 5050 1 2993 1 1 1 1 5527 4939 1 1 348.983 *349.0576* 349.0576@3.5617943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43024 44674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0576 *349.0583* 349.0583@3.636084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0583 *349.0763* 349.0763@2.8666325 1 1 1 1 1 1 6493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0763 *349.081* 349.081@0.9225333 1 1 1 1 1 1 1 1 1 1 1951 7280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.081 *349.0837* 349.0837@0.91639346 1 1 1 1 1 1 2490 2500 1 1 1 1 1 1 1 1 1 1 3777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0837 *349.0875* 349.0875@4.3209496 1 1 1 1 1 1 3119 2944 1 1 1 1 1 1 1 1 2183 2110 1 1 1 1 1 1 3211 4081 1 1 1 1 1 1 4262 3870 1 1 1 1 1 1 1 1 1 1 3131 2650 1 1 1 1 3462 3863 1 1 1 1 1 1 1 1 1 1 1 1 3537 3177 2368 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2983 2705 1 1 349.0875 *349.1032* 349.1032@0.9647119 1 1 1 1 1 1 4814 5378 1 1 1 1 1 1 4697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1032 *349.1439* C25 H19 N O 1 1 3103 3350 1 1 2900 3005 1 1 1 1 1 1 1 1 1 1 1408 1 4593 3688 1 1 1 1 1459 1 1965 1602 1 1 1 1 2085 1831 1 1 1526 1620 1 1 1994 1 2986 3673 1 1 2134 2047 2145 2052 1 1 1 1 8133 8609 1617 2074 5937 5889 2619 2299 2476 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5162 5216 4275 3464 2329 2331 1 1 349.1439 *349.1544* 349.1544@4.2655325 1 1 42886 41123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1544 *349.8226* C11 H Cl3 O S3 1 1 3309 3183 1 1 3158 3342 3262 4962 1 1 3276 7607 3098 3317 3388 3317 7576 6693 3164 2997 1 3422 5358 7417 7495 3252 3077 1315 2945 1 1 8864 2919 1 5445 2968 2709 2961 1 2966 2979 3047 7863 3547 3228 1 3562 3440 3165 5718 9783 3492 3308 3412 3266 4728 1 1 1 1 1 1 9819 3072 1 3501 3505 4089 3015 3152 1 3505 9388 3427 3634 3469 9086 3620 10943 3969 3236 3176 3617 3241 3368 3120 3401 11952 349.8226 *349.9598* C10 H6 O12 S 25957 25627 26414 26428 23782 22154 18854 17659 20835 19085 16522 20805 17767 18958 16028 15841 17480 16549 13618 13588 14626 13913 14304 13979 11688 12347 13007 12474 9743 7524 12826 12855 11691 11048 11886 11960 11309 11238 12074 12246 13227 12923 10624 10653 10186 9290 11803 11119 10354 10055 8605 8741 10029 9953 9572 9331 10118 9088 8799 9016 9702 9267 9580 8751 8839 9193 8905 8353 6038 7981 9150 8493 7432 7579 1 8835 7543 7321 7233 7080 7038 6647 8203 3469 6213 6192 4932 5082 6932 6891 349.9598 *349.9604* 349.9604@4.909435 1 1 1 1 1 1 1 1 1 1 3714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4053 1 1 1 1 1 1 349.9604 *350.0073* 350.0073@5.6985235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12794 13843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.0073 *350.0666* 350.0666@1.0376683 1 1 1 1 1 1 1 1 1 1 9077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4278 1 1 1 1 1 350.0666 *350.0672* 350.0672@0.8121813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 1763 1 1 1 1821 1 1 1 1 1 1 1 1 350.0672 *350.0698* Idebenone Metabolite (Benzenebutanoic acid, 2-hydroxy-3,4-dimethoxy-6-methyl-5-(sulfooxy)-) 1 1 1 1 1 1 1 1 1 1 10745 14404 1 1 1 1 3998 1 1 1 4055 1 1 1 1 1 2652 1 1 1 9131 7812 4197 6059 6831 6064 1 1 1 1 1 1 6728 5835 7225 7129 1 1 3580 1 1 1 6696 8475 1 1 8824 9754 4972 1 1 1 1 3295 4407 6833 11831 7141 1 1 5548 1585 6359 4370 6098 1 1 5205 1 1 4697 2874 1602 1307 3619 4302 3469 10108 5172 3759 350.0698 *350.0766* 350.0766@0.9350221 6255 9054 1 1 1 1 1 1 1 1 1 1 1 7005 1 1 3556 2650 9782 10687 7818 1 5901 5301 1 1 6666 6560 1 1 1 1 1 1 3187 2650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5976 1 1 1 350.0766 *350.0861* 350.0861@0.92836016 1 1 1 1 5741 1 1 1 1 1 1 1 1 1 6119 1 1 1 1 1 1 1 1 1 1 5475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.0861 *350.0906* 350.0906@0.9660762 1 1 1 1 1 1 20174 1 9995 9912 5137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3218 3043 1 1 1 1 5481 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3948 3709 1 1 17918 16985 1 1 1 1 350.0906 *350.1157* 350.1157@3.595737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8980 9694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1157 *350.1436* 350.1436@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1436 *350.207* 350.207@5.8638473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2548 3164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.207 *350.2091* 350.2091@13.232869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 350.2091 *350.2414* C16 H34 N2 O6 7326 6897 7323 6873 15496 14935 9895 9376 2827 1 7123 7000 8664 9228 3951 3510 3608 3209 12284 11714 17517 18692 4989 5263 1 1 4074 4854 17473 17057 31856 33255 17089 18386 1 2309 22441 22008 40993 40908 5932 6176 16003 17159 19332 20388 18289 18815 3383 3100 39486 40537 6295 6747 6548 6544 20357 19794 19692 20114 1 2882 1 1 13302 13781 7590 7197 9056 9417 10054 9840 10903 10337 8769 8420 11998 11658 23761 23462 9163 9209 7692 8264 18522 18255 1 1 56676 57285 350.2414 *351.0851* 351.0851@0.9300682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.0851 *351.1174* 351.1174@0.9850536 2828 3125 1 2877 2991 3076 5213 6178 5073 5018 2786 2103 3650 3645 4953 4691 2998 3014 2641 2230 1 1687 2501 2832 1 1 1 1 1 1 1 1 1 1 1 1 2901 3298 1 1 3375 3099 1 1 1 1 1 1 1 2004 1 1 1 1 1 1 2359 2163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2080 1 1 1 1 1 1 1 1 1 351.1174 *351.1309* Val Met Cys 3919 3727 3595 3735 3873 1 4017 4334 3694 4348 3171 1 5149 4404 4311 4091 4781 4257 3995 4286 4351 4089 4447 4711 4990 4972 4461 4568 4149 1996 4456 4384 4811 1 1 4334 4342 4173 4815 3924 3989 4149 4170 3782 3903 3879 4193 4918 4365 4280 4613 5434 4513 4877 4355 4625 3851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.1309 *351.1315* 351.1315@9.613001 1 1 1 1 1 3815 1 1 1 1 1 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 4490 4443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.1315 *352.0224* C11 H8 N6 O6 S 56427 61703 35425 33561 38996 38106 26586 25106 31511 31500 61396 60431 37271 32622 36936 39535 29675 31074 28608 30041 36323 38221 38211 37011 35695 35905 39833 39859 45774 42800 34464 33849 40300 44595 47431 46190 40040 36139 42480 47105 35668 35719 39192 41999 31352 33586 41450 39401 33937 31958 30134 32292 26803 26593 32962 29410 28734 29956 31719 38274 53606 56922 46931 45093 35300 33005 30138 30685 22613 22573 34364 32068 35343 35311 37127 39690 38637 41929 33050 34893 33654 33756 48883 44247 34569 34772 40387 43854 38058 37164 352.0224 *352.0268* C8 H12 N6 O6 S2 54159 20041 29202 41733 48169 50290 30332 30915 23977 30545 25740 54400 25360 40223 16315 16365 26607 19382 1 39843 40172 27103 22247 18773 21015 11513 16539 12459 24722 22359 25629 36329 40906 33043 49099 26401 20148 22555 19816 29573 33595 41164 22488 15450 16331 12603 21376 18771 24511 21195 39492 39053 1 1 19531 1 25435 27164 14867 12980 16287 28232 23907 56425 28885 22181 18707 22853 37628 35059 25239 19268 23124 23931 10940 22486 12605 15355 15526 15127 25142 24608 20563 22876 1 23717 25365 15776 41264 43492 352.0268 *352.028* C9 H16 N6 O S4 1 36251 8763 1 1 1 1 1 17292 11706 1 1 1 1 26023 22246 1 1 35474 1 1 10673 21144 21947 21416 27246 29655 31683 20182 16092 1 1 1 1 1 20268 20924 15390 29027 16741 1 1 18543 21694 26813 27481 31935 20654 1 15512 1 1 40367 38108 1 38030 1 1 24141 28972 30773 23921 23800 1 1 1 14320 1 1 1 1 17643 1 1 32657 1 27333 22447 26094 28112 1 1 22524 19421 34871 1 18698 30824 1 1 352.028 *352.0319* 352.0319@0.92171705 1 1 1 1 1 1 1 1 1 1 26099 1 13078 1 1 1 10879 14413 1 1 1 1 1 1 1 1 1 1 1 5053 20035 11153 10232 7976 1 1 1 1 1 1 11987 1 1 1 1 1 1 1 10550 1 1 1 1 1 16150 1 12571 1 1 1 1 1 1 1 10175 14074 1 9597 1 1 11576 1 17085 11999 1 15379 1 1 1 1 11124 10243 1 1 1 9923 1 1 1 1 352.0319 *352.0368* 352.0368@0.91899097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.0368 *352.0646* 352.0646@1.0255921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 1 1 1 1 3811 1 1 1 1950 1 1 1 1 1 1 3412 1 1 4363 1 1 1 4569 352.0646 *352.0683* 352.0683@1.0238118 1 1 3282 1 1 3318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4343 4793 1 1 1 1 5415 7230 1 1 1 1 4403 1 5203 4571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3399 1 5413 4320 1 1 1 4783 1 352.0683 *352.0771* 352.0771@1.0480994 1 1 1 1 1 1 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.0771 *352.0893* 352.0893@0.98892355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3979 1 1 1 1 1 1 1 352.0893 *352.106* 352.106@0.9869738 1 1 1 1 1 1 1 1 1 1 1 10053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 1 1 1 1 1 4743 5060 1 1 1 1 5676 7599 1 1 1 1 1 9793 1 1 1 1 1 1 1 1 3952 4395 1 1 2497 1 1 1 1 5487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.106 *352.1096* 352.1096@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1096 *352.1114* 352.1114@7.706095 1 2936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 4005 1 1 3853 3566 1 1 1 1 3279 3092 1 1 3452 3357 1 1 1 1 1 1 1 1 1 1 4588 4410 3005 3723 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 1 1 1 1 1 3313 3323 1 1 1 1 1 1 4732 4120 1 1 2661 2901 1 1 1 1 1 1 352.1114 *352.1136* C14 H28 N2 S4 12858 13973 11031 9982 14325 13623 21624 19544 18082 16165 9711 1 14119 13632 21390 21214 14514 13261 13575 12628 8637 8290 10357 12617 11238 12998 9201 8760 9994 10540 9107 9664 1 2515 5647 5361 13554 11956 7381 6893 12459 11777 1 1 1 1 9136 9327 7943 9226 1 1 9926 7585 7099 6673 9032 1 5918 5631 6898 7061 2924 1 1 1 1 1 7960 7537 1 1 1 1 5801 1 6208 5945 8722 8483 7816 8367 1 1 1 1 5742 6912 1 1 352.1136 *352.1381* Gly Asn Tyr 3510 4040 8497 8508 7500 6668 1 1 8671 8808 7775 7249 3493 3436 11265 11135 8117 8126 8786 8396 7143 6863 6966 7409 7310 7233 9962 10130 8451 8455 8506 8583 7816 8910 10422 10514 12786 13115 10618 11743 10216 10034 15028 15317 12195 11947 4941 5005 15272 15894 9634 9638 11038 11213 16225 16233 17837 17860 9256 9267 29381 28198 10516 11230 14871 15557 10104 10601 16419 16566 21587 20899 15289 16110 13376 14174 18628 18175 17465 17928 13077 13024 29940 30672 14399 15801 20944 20705 3576 3465 352.1381 *352.2271* PGH2 1 1 1 1 5503 5222 1 1 1 1 4375 2567 2680 2510 1 1 1 1 1 2851 5942 5936 2270 1 1 1 1 1 6300 5390 7411 8230 7157 7256 3609 1 7318 7496 12220 11836 1 4037 7837 7309 6730 6598 7430 6952 1 1 9576 9366 1 2326 3004 4218 7091 6373 5990 6258 1 1 1 1 6348 5024 2648 3625 3861 4128 4608 4453 4112 4344 4811 4096 5430 5118 7397 7741 4033 4920 2577 1 7074 6857 1 1 13030 14067 C00427 352.2271 *353.0299* 353.0299@0.8789905 1 1 1 1 1 1 1 1 1 1 1546 1 1 1 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.0299 *353.0895* 353.0895@0.9163849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3464 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2920 2832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.0895 *353.0913* 353.0913@6.343664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4605 4169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3944 4130 3120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5420 5472 1 1 5306 5672 3511 1 1 1 353.0913 *353.0974* C11 H21 Cl2 N7 S 4342 4130 2930 2689 4326 4403 6127 5440 3162 3408 2992 3377 1 1 1 1 1 1 4046 3567 1 1 1 1 1 1 1 1 1 1 7567 7457 4605 4453 4653 4222 3568 1 4814 4741 4830 4613 3810 3900 2746 2564 3305 3265 6829 6445 4279 4728 3016 3112 3550 3772 6187 6579 1 1 4592 4575 4953 4929 5900 5556 5337 5201 1 2019 3902 4440 3168 2351 1 1 2914 3309 5453 5163 4182 3553 4384 4214 8374 8185 5924 5604 4204 3796 353.0974 *353.1805* 353.1805@11.75743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.1805 *353.774* 353.774@0.8471604 1 1 1 1 2117 1 3087 3096 1 2796 1 1 2569 1 1 2722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 1 1 1 1 1 1 1 2640 1 1 1 1 1 1 1 2581 2874 3080 1 1 2845 2498 1 1 2636 1 1 1 1 3072 1 2837 3007 2984 1 1 2542 1 1 2631 1 1 1 3016 2939 1 1 2635 2949 2648 3066 1 1 2865 353.774 *353.9171* 353.9171@0.81432885 1 1 1 1 1 1 1 1 2435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.9171 *354.0063* 354.0063@0.9690156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.0063 *354.0104* 354.0104@0.92796755 1 1 1 1 1 1 1 1 1 4371 1 1 1 1 1 1 1 1 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 4446 20251 1 1 4155 1 1 1 1 1 4997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6152 11990 1 7273 1 1 3717 1 5856 9567 1 4033 1 5329 1 1 1 1 1 1 1 1 3388 1 3236 1 354.0104 *354.0153* 354.0153@0.9059657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6264 1 1 1 1 1 1 1 1 1 1 1 3941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.0153 *354.0171* 354.0171@0.89688843 4096 1 4560 1 1 1 1 1 1 1 2424 1 1 1 1 2289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5433 1 1 1 1 1 9076 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 5880 1 3084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.0171 *354.0863* 354.0863@0.95592827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1 1 1 1 1 1 1 1 354.0863 *354.0956* 354.0956@0.9462355 2385 1 1 1 1 1 1 1 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21713 1 1 1 1 1 1 1 1 1 1 1 354.0956 *354.0957* Chlorogenic acid 18942 20482 13339 13147 19064 19006 27862 28611 13261 14517 13646 15348 5129 6357 7538 7466 14639 1 15296 15871 5008 5188 7916 9175 5199 4955 6907 7321 5523 3808 34076 35132 21253 21172 20418 19678 2021 16932 1 22371 20126 21969 17281 1 1 13458 14698 15438 29682 31128 18221 21523 12922 13187 15860 15619 31818 31822 9936 9416 21439 21834 23348 22048 30574 31758 23959 24300 10139 9606 19451 18452 12211 11247 11416 12187 14007 13151 3646 25489 15159 16132 20684 20583 36291 1 24902 1 18004 17260 HMDB03164 C00852 354.0957 *354.1057* 354.1057@8.500508 1 1 1 1 1 1 6466 6580 1 1 1 1 1 1 1 1 7309 7472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16461 16149 354.1057 *354.1125* 354.1125@6.0950527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3768 4017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6425 5945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1125 *354.1501* 354.1501@4.2030954 1 1 1 1 1 1 1 1 1 1 1 1 1 4232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1501 *354.1506* 354.1506@4.1603794 1 1 1 1 1 1 1 1 1 1 1 1 48973 47154 1 1 19051 17972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1506 *355.0316* 355.0316@3.4336486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2975 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4007 4261 1 1 1 1 1 1 1 1 1 1 1 1 355.0316 *355.8529* 355.8529@0.849724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7120 1 1 1 1 3142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19099 1 5956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.8529 *355.8537* C10 H3 Cl3 O4 S2 5771 15108 6930 7382 6567 6512 7139 7124 8906 6237 9689 5100 6329 6750 7688 7413 15210 6956 7031 7585 6787 7057 7401 7531 1 7136 7051 13022 8507 3627 13820 6311 6446 6805 6199 6240 6696 7557 6498 6381 6863 7287 7190 6477 7461 7668 6430 6289 7336 7802 7016 7410 7632 14464 7541 7726 11128 6554 6486 6622 5680 1 6105 1 6948 7176 9878 7846 8088 7914 6742 7175 6930 7350 9318 7336 10371 7746 7151 7457 7675 11318 7092 6967 7506 7014 7216 12873 14078 7869 355.8537 *356.0015* 356.0015@0.9129502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.0015 *356.0761* C16 H12 N4 O6 5048 6086 5902 4358 6401 1 3913 6080 3422 3414 4274 4537 5208 1 4402 6077 5829 4312 5458 6230 7806 9539 6946 5423 9349 9576 7885 8860 6427 6979 1 3161 1 5473 6257 1 8596 8928 1 6547 6552 4943 5097 1 6613 4136 5458 5192 3901 3248 4498 1 4444 4545 5319 1 3773 5370 4426 6116 5685 2974 3743 1 1 1 1 4759 5318 1 4018 3146 5035 1 1 3472 1 4689 9259 8662 7097 5091 6299 6034 5307 1 3944 1 3338 5093 356.0761 *356.0925* 356.0925@6.2790627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6772 6604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.0925 *356.1345* C15 H16 N8 O3 2900 2781 3295 3102 3238 3369 2027 1868 3294 4240 3202 3739 3255 2748 4210 4244 3251 3051 5922 5564 5053 4696 4746 4812 5106 4727 4761 4982 5070 4906 4846 4467 2309 3057 1918 2226 5180 5424 4162 4390 4408 4133 6267 6148 3545 3438 4801 5398 5246 5256 4658 4726 4650 5089 5809 6328 3796 4209 5491 5091 5989 6602 2957 2740 2915 3069 5038 4469 4537 4666 5323 4696 4678 4419 5164 5103 5812 5988 5199 4901 5497 5782 5731 5761 3622 3829 3790 3469 4272 4079 356.1345 *356.2701* 356.2701@13.663854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6027 5814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2701 *357.104* 357.104@3.642758 1 1 1 1 1 1 1 1 1 1 3420 3945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4110 4347 1 1 357.104 *357.1043* 357.1043@3.1873689 4083 4542 1 1 1 1 29241 28622 1 1 1 1 5495 5591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4742 5219 1 1 1 1 1 1 1 1 1 1 3433 3530 1 1 1 1 1 1 2242 2164 1 1 1 1 1 1 1 1 1 1 1 1 2338 2452 1 1 1 1 1 1 27320 25862 357.1043 *357.1224* 357.1224@6.358246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 3218 1 1 1 1 1 1 1 1 357.1224 *357.8514* C8 H3 Cl O6 S4 10363 10679 6689 10364 5764 5732 7161 9397 6271 5777 5210 5060 6446 10600 6519 1 6596 6803 6941 6832 8597 6797 6415 6455 6891 7010 6372 6799 6110 8261 7578 12442 6433 12467 16105 5431 7243 13822 9192 7692 6631 6625 6434 6935 16206 6811 7465 6581 10619 7066 6524 6797 6703 1 7300 11258 6520 6787 6796 6274 5621 8026 5595 11699 6398 12553 10004 7216 7795 7739 6837 6457 6658 6853 6810 6949 10927 7548 9702 6645 9481 1 6220 6535 6757 6969 6435 6360 10482 12103 357.8514 *357.9296* C13 H10 O2 S5 9632 10239 10886 12018 11119 11479 9625 9973 10954 10476 9006 9273 10269 10242 10555 10291 9510 10573 10289 9673 9517 8934 9484 10050 8932 8619 9044 9078 7114 7622 8686 9337 8238 8543 8264 8511 8920 7209 8282 7928 8492 7870 8566 7807 8119 6197 8003 7766 8544 7740 7579 8111 6708 6443 8047 8427 6044 8351 6368 7722 6525 6817 5485 6418 7520 7277 8455 7969 7772 7138 7245 5746 7484 6761 8839 7902 5863 7152 7353 6425 7352 7875 7093 7353 7027 6759 8003 7327 8093 8001 357.9296 *358.0344* C10 H10 N6 O7 S 63503 72063 1 57389 65276 63710 1 53722 1 50137 44183 1 44371 61159 57824 56600 59628 44760 52578 1 55221 56710 61100 62148 51099 1 52849 60715 43198 52260 56239 56700 57012 57292 1 56523 53454 1 6097 57549 54228 62499 54588 60490 61107 60729 62967 60550 43529 49931 62969 55570 55906 47399 45775 55366 56917 45094 46363 55876 55449 56392 55494 56939 45484 51166 53386 1 57982 54861 41800 36904 49082 43444 47080 57016 51787 1 42918 52822 39585 43535 41775 55139 50446 51759 61442 41323 53425 58539 358.0344 *358.0344* 358.0344@0.9519384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5379 1 1 358.0344 *358.0357* C14 H14 O9 S 121028 112135 118694 85512 83657 82089 89707 52961 73890 70302 100597 123539 77381 73366 77228 80715 66637 67300 63509 97174 89686 86156 77209 74827 82261 109286 89922 79612 93610 95592 71343 67995 83463 84184 90737 85961 79909 113367 84302 85242 77769 74251 80742 74772 69716 71960 70567 73723 75830 70630 69175 75476 60516 58691 66466 65705 59026 55714 71682 72030 98303 99496 98462 96589 66578 75470 62153 95332 53892 56410 67077 72759 76837 72290 76852 69398 86145 84497 62909 66633 74931 72348 92046 94156 72890 70478 75474 78159 82256 82010 358.0357 *358.0374* alpha-Hydroxytriazolam 5623 5607 4290 3925 4572 4071 7605 7645 3955 4009 4016 4208 4403 4418 2910 2762 3006 3329 5539 4591 5070 5316 3783 3885 7123 5900 3311 3878 3831 3919 2571 2055 6100 5946 5251 5449 7338 7050 3542 3516 4900 4883 3272 3469 5571 5076 4647 3934 3358 3962 5502 5931 4287 4156 3752 4527 4926 4908 3869 1 3841 3786 3477 3641 3526 3514 4143 4550 4778 4791 3080 2724 4657 4707 3120 2680 3073 3417 9145 7992 5700 5516 8254 10727 7342 8076 4224 3155 3267 3708 358.0374 *358.0592* 358.0592@1.867719 1 1 1 10631 1 8383 1 1 9681 10122 6229 1 7954 1 5323 1 8321 7345 1 1 1 1 6457 1 1 1 1 1 1 1591 7919 6472 1 1 1 1 7952 1 1 1 1 14685 1 1 1 6560 1 1 5617 1 6926 11986 7725 3602 5170 1 1 1 7744 1 1 1 3931 4549 8260 1 4395 1 1 1 1 9637 1 5255 1 1 1 1 1 1 1 1 1 9378 9516 1 1 1 4618 1 358.0592 *358.0596* C20 H10 N2 O5 17631 15341 9004 13544 9874 1 7495 1 6192 8589 9691 16719 1 6904 1 1 4718 8463 13210 9579 1 9141 4516 4283 1 1 1 1 10719 4353 7669 8772 9196 8102 7690 1 2445 1 1 14397 1 1 1 16766 10017 1952 1 6299 7770 1 6063 1 2795 1 15229 5990 14507 16283 11906 1 4835 9962 8965 8760 6688 14701 6972 16608 2833 12827 10490 10677 15445 11791 13622 13852 1 14049 13346 13311 7488 16644 10825 8730 6957 8556 3280 1 7000 13293 358.0596 *358.06* C13 H10 N8 O3 S 17535 14869 15242 1 16364 13912 10193 16960 1 1 6851 5879 13365 15692 10593 15167 2334 1 8394 1 21139 10000 1 8315 14571 14987 14163 13376 1 1958 1 1 7770 10141 6723 14215 1 20190 21855 6134 13519 1 24797 11268 6826 1 7586 6941 1 12491 1 1 4902 8325 1 1 1 1 1 18709 1 1 1 1 1 1 1 1 8974 1 10182 1 1 1 1 1 20687 7078 1 1 9543 1 9398 1 1 6439 8969 1 1 1 358.06 *358.0667* 358.0667@5.7944527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4417 1 1 1 1 358.0667 *358.0679* PSOROMIC ACID 5035 5098 1 1 3950 3982 15250 15031 1 1 1 1 1 1 1 1 5331 5000 1 1 3047 3242 1 1 2883 3270 1 1 1 3026 1 1 16909 17308 1 1 3413 3726 1 1 12696 12954 1 1 7614 8636 1 1 3218 2836 1 1 8378 8197 1 1 7064 7869 8377 8599 15991 16672 1 1 1 1 1 1 11971 11868 1 1 1 1 1 1 1 1 3135 3190 3200 3213 1 1 17551 13192 1 1 1 1 358.0679 *358.0685* 358.0685@5.1827917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3125 3361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2332 2504 1 1 2046 2087 1 1 1 1 358.0685 *358.0882* 358.0882@3.5162845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3769 3522 1 1 1 1 1 1 1 1 1 1 358.0882 *358.0897* 358.0897@3.6472023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 1 1 1 1 1 1 1 1 358.0897 *358.1008* 358.1008@6.8257256 1 1 1 1 1 1 1 1 1 1 1 1 3229 3119 1 1 5643 4918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3126 3625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6750 7063 1 1 1 1 1 1 1 1 1 1 4781 4524 1 1 1 1 1 1 1 1 1 1 1 1 358.1008 *358.1061* 358.1061@6.08548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1061 *358.1074* 358.1074@8.286385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5765 4757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1074 *358.1096* 358.1096@0.99509096 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1096 *358.1144* 358.1144@3.2076397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1655 1 358.1144 *358.1151* 358.1151@4.330262 1 1 1 1 1 1 1 1 1 1 1 3220 1617 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 1 1 1 1 1 1 1 1 1 1 1 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1151 *358.1153* 358.1153@0.9995003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2545 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1153 *358.1449* 358.1449@3.1786718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6102 6288 358.1449 *358.158* Cilastatin 5818 5911 11853 12545 11476 11817 1 1 12511 13249 12161 11868 5799 6382 15887 15238 14465 14848 12776 13053 12156 12198 12400 12380 13045 12390 15152 14988 13053 13077 14469 15151 15008 15227 17826 17436 19753 20002 19235 19436 17617 18759 21331 21634 19063 19411 7947 8614 22532 22044 18914 18184 20615 20327 24251 24083 26078 25453 11093 11087 31170 30845 22983 23207 26476 26605 16180 17960 29177 28599 29452 28622 27438 27915 26863 28042 29084 30140 26037 26593 18033 18042 34637 35740 23431 23985 29583 29524 1 1 C01675 358.158 *358.2125* 358.2125@13.242903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2565 2656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2125 *359.0362* 359.0362@0.88499504 1 1 1 1 1 1 1 1 1 1 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4685 1 1 1 1 1 1 1 1 1 1 1 359.0362 *359.064* 359.064@2.9309933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3186 3337 1 1 1 1 1 1 1 1 1 1 359.064 *359.08* 359.08@7.7508006 1 1 1 1 1 1 5092 4776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.08 *359.0832* C19 H13 N5 O S 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1692 1804 1 1 1 1622 1 1 1 1 1 1374 2273 2321 1834 1 1513 1 1643 1865 1933 1952 2712 2791 2559 2392 2397 1906 2991 2831 2671 2699 1944 1 3502 3203 1853 2309 2055 1 2908 2885 2746 3189 3668 3966 4631 4626 1592 1899 3177 2524 3200 2815 2918 3023 3708 3511 2189 2802 2604 2127 2899 3238 2954 3742 3942 4360 4754 4705 3299 3489 4178 4110 1 1 359.0832 *359.0889* 359.0889@3.175672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2911 2924 359.0889 *359.1168* 359.1168@5.50471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9987 11599 359.1168 *359.8529* 359.8529@0.83996665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 1 359.8529 *359.8572* C7 H4 O7 S5 1 1 3204 1 1 1 3872 3743 2969 3172 5814 1 3250 3216 3326 3185 3514 3483 1 3594 3504 6692 3179 3649 9732 3361 3309 3404 1 1802 3235 3244 3117 1 1508 1 3325 3216 1 1 16728 3060 9313 4360 3614 1 6567 5589 3904 8735 3519 5414 3510 3478 3446 3513 3410 3627 9277 3219 1 1 1 1 3475 3357 3835 10602 3893 12055 7855 3130 3403 3431 3715 3748 4139 3691 3449 6287 3497 16350 1 3450 11027 1 1 3506 1 3599 359.8572 *359.9584* 359.9584@4.0714355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3149 2802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.9584 *360.0447* 360.0447@0.80098146 1 1 1 1 1 1 1 1761 1 1 1 1 1 1 1 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.0447 *360.0488* 360.0488@1.1235417 8494 7634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 8271 7660 1 1 5927 5780 3465 3378 12469 13165 1 1 6554 6160 1 1 1 1 1 1 3625 3956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5539 5515 360.0488 *360.0537* C12 H24 O4 S4 6804 5184 6616 5028 8148 5879 8577 7720 8710 8035 7993 7555 7168 6961 8050 5491 4902 7022 9160 9139 6486 8250 6392 7771 6974 8178 4918 4935 5039 5873 7278 8980 11803 10989 8680 10838 10995 12520 8196 7961 8596 8508 7112 6762 9782 8805 8505 9176 9935 10230 12189 11369 10080 9228 8100 9110 9643 10674 8555 9852 9746 10540 9175 10513 8714 9865 8384 8738 9542 9451 8828 9716 12311 11505 9552 9793 10595 10244 14055 15208 12019 11910 15727 15550 12330 13954 10265 9856 10860 9365 360.0537 *360.1143* 360.1143@2.8898857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1966 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 1 6784 6388 2414 2178 1 1 7230 7743 1 1 1 1 4338 4173 1918 1 2537 2528 1 1 1703 1 1 1 2211 2151 1999 2367 5290 5618 2295 2735 7748 7916 4165 3678 2492 2326 1 1 360.1143 *360.1201* 360.1201@0.8634963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2013 1 1 1 1 1 1 1 1 1 1 1 1 4827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.1201 *361.1076* 361.1076@7.023621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16287 16857 1 1 15498 15583 1 1 1 1 1 1 1 1 1 1 15177 15585 49421 47900 4972 5227 1 1 1 1 24928 25330 1 1 3582 3879 1 1 1 1 1 1 144503 141087 1 1 1 1 6845 7211 1 1 1 1 1 1 1 1 17071 16960 5431 5348 1 1 1 1 1 1 1 1 361.1076 *361.2433* 361.2433@8.184532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4099 4124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.2433 *361.808* 361.808@0.84935886 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 2486 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 1 1 1 2808 1 1 2577 1 1 1 2574 1 1 1 361.808 *362.0736* 362.0736@5.438969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6411 7446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.0736 *362.0942* 362.0942@1.9381723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6521 6356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9710 10073 4728 4244 1 1 8273 7952 9486 9426 5158 5485 5647 1 7300 7164 1 1 4619 4850 362.0942 *362.1278* 362.1278@0.8295258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1278 *362.1686* 362.1686@11.155831 1 1 2538 1 1 1 1 1 2530 2448 1 1 1 1 3593 3657 1 1 1 1 1 1 1 1 1 1 1 1 2481 2721 1 1 1 1 1 1 1 1 1 1 3286 2768 1 1 1 1 1 1 1 1 4028 4159 1 1 1 1 1 1 1 1 1 1 1 1 7808 8033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1686 *362.1694* thyrotropin releasing hormone 13441 12557 16810 15859 16006 1 16702 18351 15550 14296 16197 16609 16162 15824 16339 15822 1 1 14004 1 1 16565 1 14719 1 1 1 4659 1 9900 1 1 14774 1 1 1 14175 14608 1 1 1 1 1 4596 4689 1 12590 12266 1 12419 12968 1 6220 6160 1 1 5498 5407 11587 10517 1 1 5695 5416 12077 1 1 1 1 4219 5034 5852 1 5327 5698 6024 5231 11093 5651 6283 5506 5673 5865 6108 1 10090 5142 1 1 9519 362.1694 *362.1701* 362.1701@8.965387 1 1 1 1 1 15147 1 1 1 1 1 1 1 1 1 1 14219 12918 1 14062 16242 1 15170 1 13178 13752 11338 1 13006 4396 14875 13137 1 14253 13800 14191 1 1 13569 13068 13750 12378 13077 1 1 10884 1 1 13052 1 1 12128 1 1 11784 12349 1 1 1 1 11688 11767 1 1 1 10901 10852 11637 11195 1 1 1 11198 1 1 1 1 1 1 1 1 1 1 1 10740 1 1 10513 9389 1 362.1701 *363.083* C23 H13 N3 S 10277 10784 1 1 5170 5614 5485 3464 1 1 1 1 5455 6479 4672 4780 1 3829 1 6146 8494 8410 4652 4980 8836 8765 7237 6975 8866 2225 7522 7751 6605 6594 6331 6221 1 4052 1 1 7116 7118 4997 4766 1 1 1 1 1 1 1 1 7191 7180 4755 4195 1 1 1 1 1 1 1 1 3429 1 1 1 5244 5446 6623 6222 5214 5485 1 1 1 1 1 1 1 1 1 1 5136 1 5859 4390 12804 12925 363.083 *363.0844* C14 H22 Cl N3 O2 S2 6548 6608 5448 5767 6848 6648 5730 5836 6549 7465 5653 5006 6664 6262 13079 12839 6849 6812 7140 7389 6431 6876 6452 6157 8353 8242 5678 5692 6603 6771 4405 3958 10775 8886 1 1 5366 5593 4243 3930 6586 6822 1 1 4163 3634 5058 5533 4127 4701 5211 3755 4680 4919 3396 3264 5778 5456 6128 6572 6838 6840 1 1 30862 28458 1 1 7133 7128 3390 2938 1 1 6315 6651 6593 6892 5899 5750 4086 3888 1 1 3815 3835 3436 3918 3515 3685 363.0844 *363.2002* 363.2002@12.791107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5312 5075 1 1 1 1 1 1 2330 1 1 1 2984 2673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 3668 3884 363.2002 *363.7999* C7 H2 Cl2 O3 S5 2796 2758 2902 2895 2755 2874 3022 3241 1 3045 2772 2861 3026 3134 2980 3022 2961 3369 2935 1 2956 1 1 3357 3054 3277 2706 2993 2973 3287 3233 3147 3165 2961 2915 1 3256 3120 2926 3022 3230 3250 3201 3159 3262 3082 3068 3077 2706 3157 3084 1 2999 3203 3115 3261 3142 3175 3328 3205 3160 3258 3197 3336 3182 3134 3085 3204 3144 3255 3268 3138 3314 3056 3265 3605 3425 3116 3568 3353 3201 3432 3412 3217 3412 3759 3290 3480 3284 3097 363.7999 *363.9449* C13 H4 N2 O7 S2 2241 2443 3344 2994 2425 2374 3925 3898 2909 3600 2143 2370 2826 3441 3024 2990 3050 3199 2816 2614 2039 3076 2749 1 2931 2758 2830 3120 1 3663 2410 3097 1 2956 3601 3549 2961 3685 2832 3500 3686 3603 2726 2642 1 3934 3491 3194 3644 3808 1 3429 1 3222 3935 3751 3128 3538 4355 2939 2935 3682 3635 3618 2586 2952 3993 2791 3352 3697 3685 2947 3901 3111 3028 3620 3051 2843 2679 2812 4020 3415 3556 3264 3021 3127 3906 3741 3374 3743 363.9449 *364.0794* C17 H16 O9 48684 47120 1 11763 24337 26798 18800 19168 9771 8732 8015 12903 26304 27874 23757 23341 15814 15016 27406 9856 38349 36239 23342 22347 38477 39920 31116 31674 39547 13544 34828 33855 27898 8587 27670 26811 17621 19713 13675 14164 30352 33159 23028 25360 8483 1 1 9392 16814 19800 14943 15128 31143 9697 23770 20946 1 6208 13122 17020 14853 16039 11127 10921 12878 11718 13131 15210 25654 24034 30034 29912 7331 25582 6178 6124 11385 12124 1 7787 11664 11154 6925 6879 21317 24334 25731 25696 17288 58307 364.0794 *364.08* 364.08@1.0871291 1 1 1 1 1 1 1 1 1 1 21332 1 1 1 1 1 29260 28343 1 19580 1 2297 1 1 1 1 1 1 1 1 1 1 1 21034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46427 1 364.08 *364.0808* C11 H20 N6 O2 S3 27309 25133 20248 20553 29411 27815 22050 17523 28243 29146 5356 28221 24370 25320 50603 48436 23328 24103 31973 27630 21781 24649 21851 19283 30351 30223 21807 20411 21942 22135 17177 16992 43285 43345 9366 9230 22960 22153 16540 14397 28106 27589 4699 4923 15233 14407 23679 24929 18214 18217 20873 19794 18936 15807 12884 14511 21471 21373 24377 27127 30974 31363 11570 9802 172477 171463 11000 9635 30258 29015 11082 13444 10280 8875 28196 29409 31404 29582 23071 21874 17358 17876 9282 8803 14342 14971 14129 14415 13868 15382 364.0808 *364.1551* 364.1551@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1551 *364.1779* Met Lys Ser 1 1 4128 3963 3685 3758 1 1 4414 4545 4360 3832 2004 2347 4570 4595 5879 6233 4370 4630 4801 4660 4811 4783 5222 4587 5137 5086 4508 4777 6023 6542 6350 6666 6667 7303 7462 6893 7339 7246 7810 8580 6686 7370 7717 7258 3150 3196 6644 7377 9278 8451 9116 8787 8956 7934 8843 8631 2907 2933 7991 8335 11386 12254 10592 11470 6380 6215 12086 12988 10377 10188 12166 12299 12604 14350 10664 11697 8505 8599 5300 5263 9190 9888 8024 8358 9300 9840 2324 2356 364.1779 *365.076* 365.076@0.93249977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 5178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.076 *365.0886* 365.0886@0.9634138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4604 4048 1 1 1 1 1 1 2213 2988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 365.0886 *365.0913* 365.0913@0.9579966 1 1 1 1 1 1 1 3790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 1 1 3133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.0913 *365.0984* 365.0984@0.9267074 1 1 1 1 1 1 3912 4139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2903 2892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 1 1 1 3520 2961 1 1 1 1 365.0984 *365.1034* Amoxicillin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1702 1528 1 1 1 1 1 1675 1 1709 2010 1965 1849 2132 2170 2043 2003 2242 2071 2026 1644 1699 1861 1928 1926 1 1845 1 1945 1 2060 1748 1 1910 2357 2283 2090 1932 1 2082 2268 1864 2218 2232 1935 2187 2615 2355 2601 2128 2217 2131 2171 2452 2507 2279 2618 2405 2263 2255 2701 2308 2097 1 365.1034 *365.1063* 365.1063@8.289381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10649 11474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.1063 *365.2144* 365.2144@13.5044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2144 *365.2157* C15 H31 N3 O7 10532 10360 7549 7663 20205 19819 10568 11031 2731 3137 9202 8024 12356 11971 3855 4041 5122 5595 15826 15332 23575 24522 10627 9796 2498 3243 8214 7855 24381 16567 30191 29891 17273 16455 1 1 30970 33358 45791 38736 8063 6649 10512 14901 21012 21230 25207 23061 6453 5813 37180 41048 8479 5709 6587 10241 27999 21574 20147 16671 4370 6628 1 1 15137 15653 12241 9985 7629 9182 11286 9464 10350 12322 10960 11433 14615 14494 23505 21248 10066 10429 8000 8273 27824 25217 1 1 34019 40439 365.2157 *365.8828* C11 H4 Cl2 O6 S2 7422 7405 1 9058 10595 8188 8890 8861 14436 7695 4948 10257 8946 1 4868 4857 8368 8686 1 1 3772 8767 8666 5478 1 9268 8975 8857 8595 6042 8409 10924 8759 10095 8023 10950 10732 9248 8720 2812 1 8636 8905 8884 1 12490 8455 11377 1 1 11818 10605 1 8498 9870 9328 10426 10918 11340 8529 6985 7254 8469 7315 8627 8629 12441 10184 10250 1 9222 12107 8910 8810 9054 9215 9649 9707 8841 8541 1 9878 8446 8016 10787 9434 8247 1 9321 10798 365.8828 *365.8836* 365.8836@0.8309335 1 1 1 1 3021 1 1 1 1 1 1 1 1 16764 3832 3996 1 1 12611 11970 9033 1 1 3523 1 1 1 1 1 2882 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 1 1 9275 11628 1 1 8634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9824 1 1 1 1 1 1 1 1 1 1 13909 1 1 1 1 1 1 12414 1 1 365.8836 *366.0239* 366.0239@3.1414971 1 1 1 1 1 1 2342 2437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0239 *366.0332* 366.0332@6.588179 1 1 1 1 1 1 1 1 5470 4836 1 1 1 1 1 1 1 1 1 1 1 1 6464 6153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0332 *366.0666* 366.0666@8.37471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9639 1 1 1 1 1 1 1 1 1 1 2695 1881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0666 *366.0673* 366.0673@8.407143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23766 23518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10898 16034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9796 1 1 1 1 1 1 1 1 1 1 1 7124 7350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0673 *366.068* 366.068@0.93735856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22374 17004 1 1 1 1 13542 13365 1 1 1 1 1 1 5632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.068 *366.0681* 366.0681@0.9869361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0681 *366.0772* 366.0772@0.93414265 1 1 1 1 1 1 1 1 7286 9672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6876 8307 6390 8277 1 1 14844 15711 1 1 1 1 1 1 9880 10618 1 1 1 1 1 4814 7275 8947 9465 10521 1 1 1 1 12321 1 1 1 1 10721 4310 5696 8704 7202 1 1 1 1 1 1 7457 9857 1 1 1 1 1 1 366.0772 *366.0849* 366.0849@0.9295521 1 1 1 1 4950 10065 1 1 1 1 1 1 8096 7739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7297 7263 9756 10512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0849 *366.0891* 366.0891@0.9285267 1 1 6243 5952 2741 1 1 1 1 1 5082 1 1 1 1 1 1 1 1 2454 1 1 1 1 6281 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 7874 1 1 9598 9969 1 1 1 1 1 1 1 6627 7121 6677 1 1 1 1 1 1 1 1 1 1 1 1 6269 8001 3146 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.0891 *366.0934* 366.0934@0.9327981 1 1 1 1 1 1 1 2624 1 1 1 4905 1 1 4178 4324 1 1 5868 5622 1 3061 7149 6043 1 6737 4804 4910 5965 2930 1 7713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5328 1 1 1 1 1 1 1 1 1 1 1 1 1 2558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3511 1 2909 1 1 366.0934 *366.1062* 366.1062@3.4677913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21167 22012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1062 *366.1406* 366.1406@3.054043 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2524 3204 1 1 1 1 1 1 1 1 1 1 366.1406 *366.1406* 366.1406@3.6016035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1406 *366.1453* 366.1453@9.551665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1453 *366.1632* 366.1632@8.03058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 1 1 1 1 2586 1 1 1 1 1 1 1 1 1 1 1 1 2398 2256 1 1 3102 3324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3182 3366 3105 3203 1 2265 1 1 1 1 1 1 366.1632 *366.1633* 366.1633@8.460258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3959 4101 1 1 1 1 1 1 1 1 1 1 2863 3356 2920 2773 1 1 2246 2702 1 1 4271 4481 1 2417 4914 5096 1 1 1 1 2566 2916 1 1 6159 5906 1 1 4356 4761 1 1 2785 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2523 2604 2840 5272 4941 2475 2398 1 1 1 1 1 1 366.1633 *366.2352* 366.2352@13.231453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 1 1 1 1 1 1 1 1 1 3060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5335 6942 366.2352 *366.236* 366.236@13.236969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6772 2888 1 1 1 1 3618 3623 8233 7154 1 1 5838 4940 1 1 3394 1 1 1 6342 6198 1 1 1 1 2316 1 5605 5612 1 1 1 1 1 1 1 1 1 1 2238 2661 1 1 1 1 1 1 1 3048 1 1 1 1 2743 3309 1 1 6625 5615 366.236 *366.2509* C15 H35 Cl N6 O2 3096 5746 4917 5109 2261 4891 7395 7132 2131 4758 5937 5404 3029 5361 1 1 1 2428 5544 2944 6672 6176 4240 2305 1 1 1 1 8564 4997 10085 10204 11264 9915 1 1 7003 7332 10947 8551 5699 2668 2568 6384 5877 6446 6439 7455 1 1 16520 18520 6455 2896 2858 6231 10949 11538 7184 6025 5874 6750 1 1 11078 13621 12123 7452 6694 3794 4972 5225 7383 7472 8440 8316 7822 7682 9597 9262 2639 2974 3194 6906 8718 8675 1 1 12162 16121 366.2509 *366.2743* C11 H34 N12 S 1 1 1 1 4454 4280 1 1 3354 3275 4001 4302 1 1 1 1 1 1 1 1 1 1 4539 4438 1 2189 3691 3568 4081 3940 4359 4005 2936 3648 1 1 16943 17031 4011 4457 6738 6943 1 1 4109 4237 3790 3658 3151 3715 7405 8076 2354 2234 3020 3486 8510 8000 5146 5297 6238 6213 3809 3631 8787 8401 5060 5241 5044 4847 1 1 4222 4147 3053 1 6350 5786 2736 2653 1 1 5792 5252 6711 6435 1 1 1 2518 366.2743 *366.2753* 366.2753@12.282926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3085 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2753 *366.9925* 366.9925@3.1467264 12451 11496 1 1 1 1 7709 7485 1 1 1 1 10812 10233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5450 5686 1 1 1 1 1 1 1 1 1 1 5682 4268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3227 1 366.9925 *367.1139* 367.1139@0.9633511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8143 1 1 1 1 1 1 1 1 1 1 3640 1 1 1 1 1 8209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.1139 *367.1161* C22 H22 Cl N S 196432 194762 100184 99089 145652 149217 140301 141506 193067 190951 147708 135037 138559 135058 117737 113712 224057 220523 149596 152887 108701 102925 144123 143980 153785 152537 133540 132322 119005 118332 186408 191785 160486 163779 178451 170054 219768 220197 145679 148607 184178 182712 315702 309550 189602 198524 216899 225106 223009 221083 197009 195823 217233 217570 172085 173991 175583 175598 186469 190055 247644 249300 218624 211825 217893 217581 239742 240818 211634 216415 207338 211344 191452 191151 213534 213207 228645 231934 188954 188689 174430 172101 202430 198360 209898 208706 175815 179306 270783 266637 367.1161 *367.2312* 367.2312@14.186892 1 1 1 1 1 1 1 1 1 1 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2312 *367.2314* C27 H29 N 13007 12678 12000 11190 29228 28374 17227 17481 3397 3151 9043 13088 17257 16260 4585 5148 4681 4433 23804 22259 34527 34195 10779 9553 2975 1 10033 6291 33318 27722 48121 48850 31128 30903 1 2799 34498 37786 59521 56363 9584 6665 25286 26886 34523 35827 31897 34755 3876 4195 53921 53582 11061 8142 7876 10141 30445 27571 26849 22426 1 2390 1 1 18573 18123 9163 10267 12789 11800 13540 12319 14425 13793 7784 7842 14651 15317 28239 30515 11568 9464 6778 9750 23292 22170 1 1 44674 47891 367.2314 *367.3396* 367.3396@0.90493417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.3396 *367.3442* 367.3442@0.9038032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 1 1 1396 1393 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1975 1 367.3442 *367.8787* 367.8787@0.8484796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3138 1 1 1 1 1 1 4495 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.8787 *367.8805* C17 H Cl O2 S3 5311 5214 5790 5845 1 4868 5847 8279 7307 5004 4487 5019 1 1 5680 5863 5573 6220 6312 6477 5792 6169 1 5790 7477 6216 2422 5797 6161 1900 5566 8392 5654 5785 5218 2101 6930 8727 5072 5117 5309 5179 6094 5921 5966 5930 6232 5535 6213 6076 5542 5613 5524 5799 8188 6309 5531 5629 5372 2522 1 5326 4959 4952 2184 5464 2582 6527 6534 7744 5949 5849 6016 8462 5912 4039 6230 6872 6055 6224 6409 6202 5548 5672 5932 5397 5397 5374 5730 2380 367.8805 *367.9061* 367.9061@8.688507 1 1 1 1 1 1 63328 64150 1 1 1 1 4115 8444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18650 18850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.9061 *367.9933* C25 H4 O2 S 17219 20194 2339 1869 13999 12162 1 6245 1 12789 16605 3862 16461 13715 13894 2029 2839 11438 11138 1520 15957 1880 14475 2387 14770 12830 13817 17884 17679 16684 1820 12029 15773 3081 13906 14653 17529 2154 2408 17666 16214 14310 8969 11758 1693 1736 13109 13189 1 12857 13573 1759 10456 11355 7069 15374 10809 9893 1773 2163 15439 15029 2342 15007 1814 11603 11351 2060 1 10899 11243 2331 15882 12582 1913 12491 14709 13360 2554 7902 12820 1890 15692 14847 11644 13774 1 9506 13858 13782 367.9933 *368.0425* 368.0425@3.6657252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 2087 1 1 1 1 1 1 1 1 1 1 368.0425 *368.0581* 368.0581@6.149255 4908 4511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.0581 *368.11* 368.11@1.0854576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.11 *368.1137* C14 H24 O9 S 1023779 1029955 538562 541365 795842 796413 737179 738684 1010241 1018364 787790 725466 729678 727693 634903 630957 1166263 1152584 826960 826545 567116 551850 759067 761111 798614 800812 712831 717305 629612 617487 975184 971957 840845 843651 934580 918014 1157425 1113124 784139 778754 954560 944957 1606542 1618814 1049327 1066681 1140292 1150223 1159205 1163943 1018608 1025467 1140390 1138429 902570 891596 899556 894316 987583 986348 1294059 1289990 1116300 1125247 1177887 1182312 1277377 1257076 1109502 1125942 1108308 1118855 999058 991652 1111520 1113599 1215211 1216701 990022 999282 922055 919890 1050724 1038722 1079248 1087932 944096 940679 1402150 1407371 368.1137 *368.136* 368.136@6.792473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3314 3788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.136 *368.1551* 368.1551@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1551 *368.1638* Testosterone sulfate 17544 18541 1 1 4989 5157 20246 18581 9438 9393 18584 18571 5273 4689 11931 12101 4590 4293 9190 8451 32044 32132 34136 33503 20503 20573 17629 17752 61687 61500 4691 4512 123152 122520 7613 7097 41031 41285 23311 23036 26326 26144 39004 37751 13000 13933 5880 5589 11000 11245 61580 59629 16117 16112 19482 20744 96061 96724 52709 53521 12350 12081 6280 5791 51320 51185 8880 8586 21352 19730 78239 75569 11404 11675 8153 7885 22984 22009 73292 73499 18013 19079 62280 63012 42325 42043 27144 27173 9013 8529 HMDB02833 C00535 368.1638 *368.1652* 368.1652@7.073059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1652 *368.2502* C13 H36 N8 S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8744 2802 1 1 1 1 2341 1 1 4291 9158 3023 1 1 1 2464 1 3770 2640 1 1 2829 2288 9273 1 2562 1 2590 6860 6067 7042 1830 6079 4057 4234 1 2774 7210 5115 3113 2263 3387 7896 4928 5064 4143 6185 3736 2967 1 1 5797 2984 3293 1 4283 4345 7796 5032 3274 4699 3703 10045 1 4060 368.2502 *368.2509* C28 H32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4253 1 1 1 1 1 1 1 2160 1 1 2011 1 2208 5538 3674 3498 3256 2458 1 2285 1 2532 2382 1 1 4548 3361 2992 2573 3289 1 2424 2887 11526 7890 5569 6750 3738 2494 1 1 2553 3485 3777 3617 4552 3198 3009 3965 2475 4823 4073 4230 5461 3027 4218 4012 4220 3479 5768 3188 4074 2292 368.2509 *368.2719* 368.2719@0.8946037 1 1 9781 1 1 1 1 12045 1 1 1 1 1 1 7080 1 1 1 1 1 1 1 1 1 1 15419 12051 1 10443 8437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2719 *368.332* 368.332@0.89805615 1 1 1 3385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.332 *368.3409* 368.3409@0.89290905 1 1 4219 1 1 1 5375 5121 1 1 1 1 1 1 4140 4363 1 1 1 1 4748 2561 1 1 1 1 1 1 4000 4498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.3409 *368.4113* 368.4113@0.89907676 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.4113 *368.7395* 368.7395@0.8940356 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.7395 *368.7554* 368.7554@0.8982806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 2049 1 1 3245 1 1 2392 1 1 1 2153 1 1 1 1 1 1 1 1 1 1 1 368.7554 *368.7635* 368.7635@0.90215355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3143 1 2481 1 1 1 1 2094 4291 1 1 1 1 1 1801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.7635 *368.7804* 368.7804@0.8999988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 1 1751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.7804 *368.7915* 368.7915@0.9014512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 368.7915 *368.7996* 368.7996@0.897526 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.7996 *368.8094* 368.8094@0.904197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2194 1 1 1 1 2445 1 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3066 368.8094 *368.8202* 368.8202@0.90596426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2565 1 1 1 1 1 1 1 1 1 1 1 1 1 368.8202 *368.826* 368.826@0.9019939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1608 1 1 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3241 1 368.826 *368.8323* 368.8323@0.9015063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1604 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.8323 *368.8409* 368.8409@0.9023096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1606 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.8409 *368.865* 368.865@0.9004791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.865 *368.8725* 368.8725@0.9020448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.8725 *368.8849* 368.8849@0.9039444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 368.8849 *368.8946* 368.8946@0.9039396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 368.8946 *368.9001* 368.9001@0.9024449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 2155 1 3230 1 1 1 1 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 1 1 1 1 368.9001 *368.9136* 368.9136@0.89804125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.9136 *368.9196* 368.9196@0.89995253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 368.9196 *368.9206* 368.9206@0.9034549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.9206 *368.935* 368.935@0.9014585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.935 *368.9465* 368.9465@0.9039365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2461 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 368.9465 *369.0786* 369.0786@9.079807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6988 6819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.0786 *369.2755* 369.2755@0.89974517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 2094 1 1 1 1899 1 2108 1 1 1 1 1 369.2755 *369.3378* 369.3378@0.9022829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.3378 *369.3454* 369.3454@0.9020533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2547 1 1 1 2077 1 1 1565 1 1893 2505 1 1 1269 1430 2248 1899 1 1 1 1 2892 1 1 2345 1 1 1 1961 1922 1598 1 1554 1 2182 1 2342 1 1 1 2348 2478 1 1 1 1768 3494 2154 369.3454 *369.3501* 369.3501@0.9029266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.3501 *369.3668* 369.3668@0.9039663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.3668 *369.3906* 369.3906@0.90098643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.3906 *369.412* 369.412@0.9042799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1417 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2416 369.412 *369.4185* 369.4185@0.90494514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 369.4185 *369.4293* 369.4293@0.9069147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.4293 *369.8951* C12 H3 Cl N2 O4 S3 1 1 4077 3809 3883 2775 4945 1 3963 1 3441 3570 1 4528 4173 4673 3735 4570 4800 4202 3758 5219 3057 6056 4039 4012 4804 3877 3886 1769 2908 4030 4022 4295 2701 3141 4053 4005 4126 5694 3908 4319 3933 4370 3640 3508 3515 3003 4306 5202 4680 4448 4658 4338 1 2868 4356 4330 4130 3980 2607 3223 3204 1 1 3884 3909 4470 4543 6516 5735 4053 4335 3988 5123 5115 3429 5252 5574 4048 3689 5200 3656 3993 6269 4497 3179 4128 5923 1 369.8951 *369.9031* 369.9031@8.68047 1 1 1 1 1 1 1 1 1 1 1 1 4250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.9031 *369.9773* C14 H6 N6 O S3 1 1 4994 5162 4937 4163 59381 57987 1 1 1 1 1 1 1 1 1 1 2542 3011 2023 2045 1 1 1 1 18297 17908 27125 27444 8683 8306 35639 35141 7919 8232 117787 121494 1 1 17097 17068 13287 13322 5936 5514 31158 31417 1 1 49962 50217 24743 24698 22805 23103 2000 1918 3680 3925 60890 63268 11335 11683 4428 3710 27121 27626 1 1 1 1 1 1 5840 5948 2438 2463 24426 25074 44516 44151 3285 3331 9622 9119 26841 26358 14987 15747 369.9773 *369.9838* 369.9838@8.309154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3864 4152 1 1 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.9838 *370.1183* 370.1183@0.881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1183 *370.1213* 370.1213@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1213 *370.1272* 370.1272@0.9000081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196888 198153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1272 *370.1791* 5beta-Androstan-3alpha-ol-17-one sulfate - 7.384574 9747 1 4069 1 1 1 49074 50707 1 1 1 1 1 1 1 1 1 1 5262 5851 33221 34477 23510 23622 10371 1 11743 11569 22634 9749 1 1 24190 23591 8268 8108 32022 31499 6047 5935 27506 5217 1 12468 1 10261 1 1 8040 7321 24614 25258 1 7967 11780 11977 14183 12414 28732 30022 1 4380 103543 104679 53865 54115 1 1 1 2075 26022 26498 6337 6480 5762 6050 17333 17065 3165 32366 1 1 34718 34652 23378 22797 15466 15532 1 1 370.1791 *370.1794* 370.1794@6.3950877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3056 1 1 1 5966 6825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4750 4235 1 1 1 1 6719 7053 3886 3835 1 1 1 1 4025 4156 1 1 1 1 5153 5096 1 1 1 1 1 1 2760 2874 1 1 3302 3446 1 1 1 1 1 1 370.1794 *370.1795* 5beta-Androstan-3alpha-ol-17-one sulfate 5481 5649 1 1 1 1 30985 30267 1 1 1 1 1 1 1 1 1 1 3975 3360 7986 8590 10860 9979 5278 5692 4391 3886 9416 9654 1 1 6145 14624 1 1 7189 7425 1 1 6421 6812 5482 5216 3441 3496 1 1 1 1 10049 9625 1 1 5460 5181 6914 7451 7759 7649 1 1 31197 31324 25907 24381 1 1 1 1 13015 14158 1 1 1 1 9324 9555 10205 10773 1 1 11557 10464 10005 9024 5301 5465 1 1 370.1795 *370.1802* 370.1802@7.361421 1 10063 1 3747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11327 1 1 1 10929 1 1 8672 1 1 1 1 1 1 1 1 22862 13421 1 10353 1 1 1 1 1 1 1 7987 1 1 1 1 1 1 1 4686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31042 1 1 1 1 1 1 1 1 1 1 1 370.1802 *370.2488* 370.2488@13.807443 1 1 1 1 1 1 1 1 1 1 6643 7116 4384 4192 1 1 1 1 3928 4653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3492 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2488 *370.2791* 370.2791@0.90892214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2791 *370.3511* 370.3511@0.9009979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3511 *371.0838* C12 H17 N7 O3 S2 11994 12047 1 1 3266 3180 25131 25910 7576 7276 32809 33469 1 1 1 1 1 1 8452 8853 1 1 19567 19899 1 1 1 1 1 1 1 1 1 1 66265 67376 1 1 4896 4070 7508 7689 1 1 8447 8083 1 1 1 1 1 1 1 1 1 1 17956 16923 1 1 1 1 1 1 93608 91321 6154 6686 4579 4505 3612 4303 1 1 1 1 12013 12483 1 1 1 1 6966 6752 11450 10412 39836 41044 1 1 371.0838 *371.0889* C20 H18 Cl N O4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1706 1 1 1 1 1 1 1 3037 1 1 1 1 1 2910 2590 1 1 3259 3400 5704 1 1 2024 1 2784 5310 4812 2790 2544 1 1 1 4286 6709 1 6579 6781 3043 2477 1 3019 1 3284 2725 2283 1966 1 2786 1 2452 2029 3860 1 1 1 2220 2246 1 1 1 4563 5800 5098 1 3598 2965 3174 5047 4451 2821 3088 1 4706 371.0889 *371.1008* 371.1008@0.9281331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4015 1 1 1 1 4628 1 1 1 1 1 1 1 1 1 1 10855 1 1 1 1 1 1 1 1 1 1 1 1 1 5850 1 1 1 1 1 1 1 1 1 1 1 1 1 3386 1 1 1 1 1 1 1 1 1 1 4104 1 1 1 6831 1 1 1 1 1 1 1 1 1 371.1008 *371.108* 371.108@0.9100679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.108 *371.8354* C7 H7 Cl3 O3 S4 1 3793 3111 6624 3264 1 1 1 1 3679 3371 3248 5944 7308 1 1 9827 6658 1 7989 6448 6686 3741 1 3704 7115 7170 3619 1 3009 8767 1 1 9653 1 3511 1 10850 6462 5268 3481 3488 3673 5706 7431 1 3294 3529 3391 3336 1 7347 1 3291 1 1 5137 1 5477 2758 5813 3595 5743 3600 5821 1 1 3611 3296 3252 4103 3928 3963 6708 1 3899 9841 8000 4230 7216 4085 4101 6416 1 3922 3915 4371 1 3765 6805 371.8354 *371.8382* 371.8382@0.84400606 1 1 1 1 1 1 1 3707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3566 1 1 3440 1 1 1 1 1 1 1 1 1 1 1 1 1 9502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.8382 *372.0298* 6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-THIOBIUREA 6851 7197 7066 7195 6507 6791 5542 5560 6433 7066 7448 8693 6981 7122 7226 7913 7021 6411 6690 6592 7341 7919 7133 7947 6837 6928 7437 7231 7848 7780 7791 6648 7897 7610 8311 8531 7606 6911 8068 8483 7956 7346 7208 7411 7624 7997 8029 7504 8043 7830 7753 7207 6220 7044 21745 6973 7670 7679 7261 8458 8981 8789 8304 8929 7257 7438 6778 7059 18764 7320 7388 8137 8171 7582 7541 8192 8272 8385 8140 8396 7375 8122 9310 8624 8002 7140 8148 8061 8553 8459 372.0298 *372.0302* 6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-THIOBIUREA - 0.88713235 12751 12760 11162 11906 13106 12871 6360 5400 13095 12969 12080 12649 14014 12754 20259 13004 7591 10918 12524 12445 14071 10068 16212 13744 14016 12679 11641 15509 14829 13902 29377 32525 33552 14775 15929 15991 14738 14904 16143 36985 15176 27548 20734 30260 35431 38009 14730 30017 7020 33774 15244 34796 29863 35001 13843 26235 32082 32934 29451 14476 16321 16460 29463 16421 34018 15667 31617 12676 31637 23562 30911 24868 25579 5478 10238 33288 15922 14843 20941 20325 32391 15029 36656 39283 30238 34045 21653 40183 37884 10491 372.0302 *372.0313* 372.0313@0.9058828 1 1 1 1 1 1 4130 5580 1 1 1 1 1 1 1 1 20565 2695 1 1 1 3078 1 1 1 1 2759 1 1 1 1 2058 2289 1 1 1 1 1 1 2596 1 1 1 1 1 1 1 2639 8046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2929 1 3686 29469 5823 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 6169 372.0313 *372.1048* 372.1048@4.2340136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1048 *372.1102* 372.1102@0.92801464 1 1 1 1 1 1 1 1 1 1 1 4641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1102 *372.1174* 372.1174@0.92811924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4205 1 1 1 1 1 1 1 1 1 1 1 1 1 4395 5046 1 1 6282 5132 1 1 1 1 372.1174 *372.1193* 372.1193@8.38944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7935 7505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12377 12165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3675 3407 1 1 1 1 1 1 1 1 1 1 15609 15471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1193 *372.1232* 372.1232@0.9079756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2837 3196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1232 *372.1258* 372.1258@3.0679479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3554 3432 1 1 1 1 1 1 1 1 1 1 372.1258 *372.1315* 372.1315@0.90744233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4675 5143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1315 *372.1955* 372.1955@7.2563796 1 1 1 1 1 1 1 1 3682 2979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1955 *372.2254* 372.2254@13.277378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 4594 372.2254 *373.042* 373.042@3.3518505 1 1 1 1 1 1 2891 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4821 5019 373.042 *373.1166* 373.1166@4.776371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3491 3652 1 1 2507 2997 1 1 1 1 373.1166 *373.3164* C17 H39 N7 O2 1 1 1 1 1 1 1 1 1 1 9386 9241 1 3409 3187 3071 3952 3518 2134 1 1 1917 2842 3580 1 1 1 1 9742 9592 7181 7084 1 1 1 1 20917 19432 19643 19849 1 1 6346 6161 12465 12459 8050 7539 3312 3146 5156 5326 6975 6423 3269 2654 7318 6696 5714 6226 1 1 2288 1 10846 10581 5746 5428 1 1 1 1 14380 13737 1 1 3253 3635 10490 10720 1 1 4457 4308 2815 3679 1 1 5632 5709 373.3164 *373.8285* C10 H5 Cl3 O S4 3495 3399 3541 3659 2993 6362 3786 6557 3396 3107 3513 3429 3786 3752 3187 3426 1 5479 5798 3461 3264 7003 7757 3548 3586 3668 3530 3745 8710 3673 3668 8580 4440 3414 3797 3398 3424 3563 3519 3485 3597 5707 3399 3647 5111 3364 4934 3542 3004 3279 3163 3264 3346 3854 5676 3644 3741 3552 3621 8536 3838 3983 3766 3584 4045 3511 3948 3799 6157 3367 3678 6190 3752 1 5846 4032 4274 6163 4158 4067 3513 3712 1 6632 6770 4077 3819 6002 3629 4157 373.8285 *373.9072* C7 H8 Cl2 N6 S4 3220 3322 4056 4172 4600 7598 5767 6794 4683 4141 4498 4148 4778 5010 4628 4944 4313 4702 1 5426 5270 6481 5148 1 4344 4542 5138 5136 4181 4370 1 5954 5027 4789 3964 4689 4534 5296 5082 5451 5161 1 7504 5166 1 1 4980 5248 4969 5045 5737 1 1 4882 5659 1 5776 5899 4825 5211 4092 4220 4459 1 5475 5802 6153 6082 6370 6720 5718 5157 5218 5330 8942 5821 5574 5475 5473 5235 5056 5355 4017 4460 4691 4862 4916 4767 4983 5060 373.9072 *374.0119* C11 H14 N6 O S4 28832 24008 25704 1 28470 29895 25288 19498 24044 1 25095 14036 24869 1 24351 25708 1 16262 1 1 27153 27190 24691 25170 20824 8429 10314 27364 22065 18819 1 1 1 1 1 1 23331 9255 11918 1 1 1 6778 1 1 1 10315 1 1 1 1 1 1 1 1 1 1 1 6587 1 30982 28005 1 32262 1 12782 1 7583 1 1 1 6951 6339 1 1 1 14232 17052 1 1 1 14963 1 1 1 1 1 1 1 1 374.0119 *374.0122* C14 H14 O8 S2 32450 25017 22105 21893 18735 22862 12453 13902 19194 15661 27124 28337 17035 16555 18476 16804 15053 15157 13966 14130 18222 17612 17856 17517 17460 17090 17432 18604 20832 20576 17089 17686 20070 17542 19897 19359 19744 18216 19642 18739 17164 17481 16686 17308 18016 15931 16340 17156 13156 15313 14718 14825 13596 13631 1 13473 14829 15183 17915 19761 22997 25812 23967 1 16498 16361 13576 13839 1 11616 19103 20903 16518 15573 15827 16493 15880 14800 15865 15174 14184 14154 19273 20054 15781 16321 17565 18405 15736 16029 374.0122 *374.0128* C15 H18 O3 S4 1 4148 2384 24459 1 1 1 4407 1 26953 1 11389 4544 27372 1 3784 5624 8361 22296 23005 1 1 1 2912 4159 16594 12107 1 4556 8754 3286 1 1 24834 29366 29904 2059 9788 16159 1 25846 9479 5812 3283 1 1 13792 3187 23169 1 21519 1 3907 1 20589 7876 1 1 1 19923 1 1 11446 27663 1 9558 1 8820 1 8587 1 1 1 1 18699 1 8862 6780 16623 17423 1 2761 1 1 3174 1 22227 1 1 25855 374.0128 *374.0178* 374.0178@0.93305945 1 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.0178 *374.0526* 374.0526@1.1381226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4695 4690 1 1 4580 4665 1 1 1 1 1 1 3556 3877 1 1 1 1 1 1 1 1 1 1 1 1 3143 3237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.0526 *374.0583* 374.0583@1.1391369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.0583 *374.0629* 374.0629@1.2091202 1 1 1 1 1 1 1 1 4587 4563 1 1 1 1 2841 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.0629 *374.0933* 374.0933@7.707624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3489 3400 2583 1 2868 1 1 1 1 1 1 1 374.0933 *374.1928* 374.1928@8.492404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2301 1 1 1 3026 1 1 1 1 1 1 1 1 3617 3625 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2236 1 1 1 1 1 1 1 1 374.1928 *375.0768* 375.0768@1.7221352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7141 1 1 1 1 1 1 1 1 1 4159 1 1 1 1 1 1 1 1 6292 1 1 1 1 1 1 1 1 1 375.0768 *375.0874* 375.0874@6.832224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3843 4779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.0874 *375.0924* 375.0924@2.8679018 1 1 1 1 1 1 8565 8692 1 1 1 1 1380 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4549 4674 375.0924 *375.1002* C9 H25 N7 O S4 2548 2384 1 1 2079 2119 1 1 2712 3011 1803 1 1851 1 1 1 2189 2386 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1755 1614 1 1 1993 1 1934 2302 1 1890 2331 2396 1991 1894 1 1371 1 1 1 1 1 1 2387 2152 2161 1849 1591 1622 1 1 1 1496 1962 2164 1647 1 1 1 1836 2046 2135 1923 1 1668 1 1 1 1348 1 2009 1639 1768 2154 2678 375.1002 *375.8237* 375.8237@0.8519331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.8237 *375.9106* C9 H5 Cl N6 O S4 4363 1 1 1 3492 7071 3455 1 3769 1 4339 3621 4326 1 4034 1 4360 4346 1 1 4537 4842 4222 4415 7750 1 6886 1 4786 4629 1 1 1 4375 1 1 1 4611 7311 4147 1 6487 4562 3972 1 1 4391 1 1 4468 4440 1 1 3408 1 1 1 1 3837 1 3810 4332 1 3848 3541 4470 4441 5352 1 4059 1 4267 4853 4090 4140 3856 9047 1 4731 3764 1 1 3934 4874 1 4082 3960 4311 1 4131 375.9106 *375.9121* C11 H Cl O13 3785 10679 9200 4924 4434 4048 5373 14156 8062 10443 6338 3547 4958 6304 7577 5016 6743 4794 9636 9609 5294 10115 5061 5273 5259 12175 8663 12014 4703 6140 9398 7269 9023 4767 7490 4220 7468 4737 6076 4027 8768 10022 8557 5393 14144 10108 8734 15495 11774 7486 4778 5003 15517 5745 11565 7506 8718 5192 5482 7893 4435 3843 14917 4775 7925 7777 7704 5698 12501 8057 9402 8156 4988 12314 4926 4869 9703 10582 4437 8737 9781 4925 4393 5689 5530 5351 7663 8612 8003 7544 375.9121 *376.0038* 376.0038@0.81991017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 1 1 1 376.0038 *376.0262* 376.0262@4.798847 1736 1 1 1 1 1 1 1 1 1 1 4316 1763 1930 1 1 2225 1879 1 1 1876 2229 1 1 1 4755 1681 1 1760 1642 1 1 4062 4198 2652 1 1 1 1 1 1 1 1 1 5039 1 1 1 1 1 1 1 1 1 1 1 4635 5692 1 1 1 1 1 1 1 1 3541 1 1 1 1 1 1 1 1 1 1 2591 2616 1 1 1 1 1 5266 4945 1 1 1 1 376.0262 *376.0722* 376.0722@7.7031074 4137 1 1 1 1 1 1 1 1 1 1 2330 1 1 1 1 1 1 5893 5090 1 1 4714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.0722 *376.097* C22 H17 Cl N2 O2 7277 7048 1 4596 1 1 1 1 7500 7394 7265 6057 6567 1 6700 6669 5828 6211 1 5175 4450 7241 7411 7103 6661 6567 6799 6644 5996 4557 4701 1 4854 3098 3997 6279 6409 5981 4359 4425 4886 1 6983 7200 5917 5971 7764 8881 6719 6177 1 7389 1 5083 3708 2672 4755 1 5699 1 5550 6173 3477 7225 5871 5640 5014 4767 5217 1 6067 5656 4986 4553 5112 5787 5712 5166 5146 5218 2818 4803 3352 1 3745 6095 5673 5685 1 6928 376.097 *376.122* Asp Asn Glu 5173 4989 2353 2291 4798 4484 2223 1 4649 4243 2845 2424 2002 2395 4034 4405 7565 7615 5135 5704 5276 5051 2641 3260 7974 8098 7294 7259 1985 1825 4753 4420 7477 8072 5719 5171 8013 8264 9598 9700 1 1770 6601 6656 11572 12198 1 1 1527 1599 14784 15370 3048 2557 6190 6235 11712 12418 1 1 2795 3122 3754 3685 10989 3048 5669 6498 4312 4152 7469 6987 8854 9326 3297 3432 11068 11461 13973 14457 3673 3614 5782 5914 9172 9649 14884 15106 5206 5243 376.122 *376.1228* 376.1228@4.31279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1228 *376.1317* 376.1317@4.1596103 1 1 1 1 1 1 1 1 1 1 1 1 3151 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1317 *376.1433* 376.1433@0.8311641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5988 1 1 1 1890 2081 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1433 *376.1896* 376.1896@8.390254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7996 6586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1896 *376.2275* 376.2275@13.466434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1570 2970 2445 1 2609 1 1 5903 5289 7724 8773 1 1 1 1 4423 4088 2970 3300 1 1 9300 7639 1 1 1 1 3361 3979 3626 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3280 3423 1 1 1 1 4747 5569 1 1 12968 11564 376.2275 *376.2792* 376.2792@13.632057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2792 *376.2803* C24 H40 O S 3235 3447 4617 4797 3997 3550 7142 5754 4452 4375 3892 4024 4405 4250 1 1 3018 3471 2952 3039 4366 4252 3168 5695 1 1 1 1 4682 4150 5420 5933 8251 9670 4693 1 8489 7621 6897 8143 6856 7188 5752 4999 8949 8651 6822 9307 4829 5560 16730 15221 6172 7110 8506 7563 10840 10417 6748 7013 5515 4795 3697 3828 8139 7853 7991 8639 6306 6176 4854 5431 7815 6945 9161 9353 9425 7511 9723 9739 4807 4959 5980 5657 6805 7488 1 1 10275 10114 376.2803 *376.2804* C24 H40 O S - 13.598203 41774 44441 39501 36855 33605 28462 52423 50333 35060 28842 38410 39861 36910 36576 13411 16361 25996 27422 32551 32898 37866 39149 35866 32471 16140 14083 22822 21427 34558 20592 55304 57499 77843 78242 22568 21428 58412 57388 73197 66815 47477 46933 48747 46965 55882 56169 54687 53607 37500 37055 121057 117630 45328 47060 53809 52976 76468 75606 51623 49133 50735 52677 28434 27888 70981 69976 57523 58359 53366 47047 39955 39742 60831 60401 62687 63241 52501 53745 70514 72294 42887 45074 45413 47399 65582 68373 12531 13956 96440 96500 376.2804 *377.1012* 377.1012@6.214218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3543 3221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.1012 *377.1024* 377.1024@5.8644743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3458 3762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.1024 *377.1025* 377.1025@6.0528383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8538 8137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.1025 *377.9071* 377.9071@0.8609695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 1 1 1 1 1 2386 1 2332 1 1 1 1 1 2408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 2529 2460 1 1 1 2420 1 1 1 1 1 377.9071 *377.9112* C8 H7 Cl O11 S2 1592 1673 3851 1832 1872 1548 1866 2620 2142 1874 1 3306 1905 1907 1996 1829 1917 2028 4019 1964 1936 1839 2049 1975 1521 4942 3952 4106 3929 2008 1977 1 3700 1995 5549 3319 2159 1824 1 1524 1971 3895 1504 1467 1 1795 1704 1 2138 3656 2185 2116 4068 1957 2245 2110 2146 1964 3718 2274 5519 1714 2084 1749 2100 2214 6387 2335 2589 2405 2084 1 2257 3759 4423 2241 3782 1928 1 3523 3969 5572 1388 2162 2198 2212 1677 1915 1 4481 377.9112 *378.0599* 378.0599@1.121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.0599 *378.0672* 378.0672@8.500841 1 1 1 1 1 1 8726 9392 1 1 1 1 1 1 1 1 7080 6300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3737 4523 378.0672 *378.0907* 378.0907@1.0026174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9859 9273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.0907 *378.1033* 378.1033@4.3255253 1 1 1 1 1 1 1 4057 1 1 1825 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 2111 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1033 *378.1526* 378.1526@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1526 *378.166* 378.166@7.3263173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.166 *378.1667* Cys Thr Arg 6604 6757 6745 7563 7034 7224 6933 6742 6393 5541 3698 7148 7809 6911 7803 7805 7947 7412 8966 9794 9367 9526 9362 9326 9506 9626 9750 10371 10527 11490 11029 10248 10486 10934 10218 9316 10977 12466 13443 13684 12760 12454 11463 12659 11712 12740 12970 12515 12711 12246 11635 12634 11400 10909 12163 12783 12949 8800 8368 2533 7382 8140 7290 7392 8140 8496 8611 8559 6270 7333 7945 7693 7714 8265 7919 7771 7848 7571 8277 6809 8375 9036 9447 8782 8687 8730 8856 8523 8417 9113 378.1667 *378.1675* 378.1675@9.627531 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1675 *378.2056* 378.2056@8.844155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18733 21845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2056 *378.2455* 378.2455@10.630861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4442 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2455 *378.2699* C24 H39 Cl O 1 1 1 1 8218 1 1 1 1 1 8139 1 1 1 1 6486 1 1 6145 5531 10219 8534 1 1 1 1 6398 1 9072 7626 16677 15823 8683 8797 1 1 12000 12466 20836 19154 1 1 9467 9128 11071 10710 11227 10702 1 1 17301 18308 1 1 1 1 10658 11918 10854 9406 1 1 1 1 7086 21192 1 1 6322 1 5941 1 1 1 1 1 6648 6672 13061 12750 1 1 1 1 11101 12558 1 1 27000 27195 378.2699 *378.2773* 378.2773@13.464538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7525 1 1 1 1 1 1 1 6154 1 7599 8862 1 1 1 1 8601 8717 13720 11517 1 1 3290 1 1 7227 7079 6330 1 1 10975 12713 1 1 1 1 7710 7217 7337 6134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4820 8454 7096 1 1 1 1 9173 9888 1 1 14570 15664 378.2773 *378.2776* 9-deoxy-9-methylene-16,16-dimethyl -PGE2 6882 7500 9879 7235 8994 10676 11407 8757 1 1 7083 14096 1 8696 1 7966 1 1 9629 1 12257 10238 1 8047 8816 1 9366 12723 14447 7103 14794 13971 13307 12467 9460 1 10944 11499 15426 17299 7641 8921 12014 12189 10437 13064 10907 10585 1 10896 14725 14861 13507 8842 10396 7942 10082 11130 10938 11405 9977 1 1 8591 10105 10913 8810 11808 11162 10935 9550 8698 11533 16842 6638 8879 10286 9292 13078 13575 10135 11541 9465 10094 10369 18569 1 1 14633 24849 378.2776 *378.2778* 378.2778@14.629087 1 1 1 1 14454 1 14572 1 1 1 9748 1 1 1 1 1 1 1 13934 1 13224 1 1 9526 1 1 1 1 1 1 20363 1 12510 1 7947 1 9841 1 1 17832 1 1 1 11784 13739 12746 15631 17566 1 1 14093 22530 1 1 1 1 16786 18483 13797 12830 1 1 1 10361 15736 1 1 14507 17443 1 15078 1 18143 1 1 1 16839 15344 16438 15530 1 1 1 1 19454 11229 1 1 20165 20756 378.2778 *378.2779* 378.2779@14.87873 1 1 1 1 1 1 1 1 1 1 5469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2779 *378.2779* 378.2779@13.2113695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3160 1 1 1 1 1 1 1 1 1 6371 5337 1 1 1 1 1 1 7179 6910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6747 378.2779 *379.0666* 379.0666@1.2274883 1 1 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 379.0666 *379.0701* 379.0701@1.2300462 1 1 1 1 1868 1935 2537 1 1975 1900 2612 2848 1 1 1 2140 1935 1 2147 2331 2067 1 1 1 2105 1 1 1 2369 2546 2512 1 1 1 1 1 1 1 1 1 1 1 3121 1 1 1 1 1 1 1 2258 2359 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 1 2009 2413 1 1 1 1 2201 379.0701 *379.0796* 379.0796@0.94932795 1 1 1 3789 1 1 1 1 1 1 1 1 1 1 3285 1 5347 5955 1 1 3900 4019 1 1 1 1 1 1 1 1 3160 3449 1 1 1 1 1 1 1 1 1 1 4791 4270 1 1 1 1 1 1 12767 13035 1 1 3227 4298 14082 14090 1 1 1 1 16059 15537 1 1 1 1 1 1 1 1 1 1 1 1 1 4187 1 1 1 1 1 1 1 1 1 1 5508 5548 379.0796 *379.0891* 379.0891@0.93455714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2868 6512 6123 1 1 1 1 1 1 1 3774 1 1 1 1 1 1 1 2707 1 1 1 1 1 10574 1 1 9588 9334 2467 1 1 1 1 1 1 1 5722 5345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8771 1 1 1 1 1 1 1 1 1 1 1 1 8992 9143 1 1 1 1 3864 4034 379.0891 *379.0913* 379.0913@0.94759053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3430 1 1 3718 1 1 1 4322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6000 1 1 1 1 1 1 1 5408 1 1 1 1 1 1 1 1 1 1 1 1 1 379.0913 *379.0983* 379.0983@0.9523483 1 1 1 1 1 1 1 1 1 1 2379 1 1 1 1 1 1 1 4572 1 3774 1 1 1 1 3119 1 1 1 1 2841 1 1 1 1 1 13477 14715 1 1 1 1 1 1 1 1 1 1 1 15712 1 1 1 1 1 1 1 1 8676 9719 1 1 1 1 1 1 1 1 1 1 15728 1 1 1 15944 12670 1 1 5207 1 1 1 1 1 1 1 1 1 1 1 379.0983 *379.1101* 379.1101@0.93229175 7309 7370 1 1 13829 13810 18146 18217 19693 17783 20537 19411 9134 9486 1 1 1 1 1 1 1 1 12745 15415 1 1 1 1 10221 8394 1 1 1 1 9223 8895 1 1 1 1 13610 15704 1 1 9048 11574 22990 20448 16068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12460 11688 19686 20040 1 1 1 15844 14293 13658 1 1 1 1 1 5216 22560 21940 1 1 33747 34219 13154 12538 1 1 379.1101 *379.1593* 379.1593@8.959011 1 1 1 1 1 1 1 1 1 1 6394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.1593 *379.1597* Ser His His 6623 6701 7463 8198 8010 8787 10520 10627 9402 9374 3338 10420 11332 10237 11150 11658 10643 10117 11818 11088 11866 12251 11600 12663 12291 12155 10593 9949 12786 12781 13620 13393 13285 13686 14068 14439 14732 14122 12878 13279 12866 12865 15266 13600 12777 13599 10526 10057 14196 14827 12730 13876 15357 15300 15110 14876 12483 10629 1 1 10236 9841 7981 7752 9397 8057 10214 10466 10406 9321 10118 9979 10720 11024 11417 11585 11244 10482 10369 11035 9940 9773 10287 10438 8580 8447 10947 10507 5446 1 379.1597 *379.162* 379.162@10.811971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.162 *379.1672* 379.1672@8.971668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5148 3471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5865 379.1672 *379.2477* 379.2477@9.883519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3466 1 1 1 4499 379.2477 *379.291* 379.291@9.02129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6272 5976 1 1 1 1 1 1 379.291 *379.9237* C13 H4 N2 O6 S3 5492 5241 6749 5953 7070 1 6367 6246 7003 6524 6822 1 7840 8051 6698 7121 7316 7274 7995 7258 8135 1 7659 7848 7403 7154 8436 1 6871 6853 8451 8306 7618 7733 6913 6629 7124 7470 6842 1 8299 8122 7179 7192 1 7706 7241 7770 9455 8539 7828 8403 8106 7640 8743 8181 8161 7798 7848 8144 6806 6350 7246 8093 8738 8546 8768 8323 9178 8495 8517 8435 8356 7954 7881 8584 8277 8391 7961 7678 9356 7838 8359 7461 7481 7968 8127 7575 8265 9172 379.9237 *380.0626* 380.0626@1.2272266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10075 10186 9548 1 1 1 1 1 1 1 1 1 380.0626 *380.0689* C9 H16 N8 O5 S2 9911 11372 8254 7730 8072 1 11757 11322 9732 9990 12290 13078 7548 1 11641 10646 1 1 11020 10999 9707 1 10814 1 1 9840 8803 9458 1 12084 1 1 9096 8269 6998 6856 1 1 7141 6659 6494 6265 1 1 6932 6842 1 1 1 1 1 1 6053 1 6643 7136 6756 6410 5936 1 1 1 6722 7188 6745 6799 8833 8773 6474 1 7931 7425 7435 7652 1 1 4558 1 1 1 1 9039 8573 9232 11555 10783 7996 7973 11477 1 380.0689 *380.0765* C16 H28 S5 1 1 21212 5363 1 1 4970 4032 8771 3826 1 1 1 1 12626 7453 31180 22695 1 1 19342 18607 1 1 7888 8557 1 1 1 1 15993 17237 5680 4982 1 1 1 1 56688 56870 1 1 14964 13405 5923 1 8141 5715 1 1 11937 42570 1 1 19085 19639 59335 62964 8913 1 14369 16695 11251 75562 1 1 11663 10915 9976 1 8399 4877 15308 12054 11461 1 15708 16988 1 8764 1 1 46570 45349 1 5333 1 1 19974 16952 380.0765 *380.079* 380.079@0.9437424 1 1 1 19268 1 1 1 1 1 1 1 1 1 1 7609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41043 1 1 1 1 1 1 1 1 1 1 1 77979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.079 *380.0875* 380.0875@0.96554005 7798 1 6522 1 1 1 1 1 1 1 1 1 1 1 1 12647 35320 36147 1 1 1 1 1 1 1 1 1 8767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45295 45529 1 1 1 1 1 1 1 1 1 1 1 1 1 9029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9751 12830 1 1 20663 19531 380.0875 *380.0962* 380.0962@0.9627354 1 1 1 1 1 1 1 1 1 1 1 1 9726 8188 1 1 1 1 15805 16010 1 1 1 1 1 1 9513 1 9630 6072 14275 13704 19959 19936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24399 23734 1 1 10632 1 43559 46011 46142 46099 1 1 1 1 1 1 29220 27713 1 1 1 1 67122 68449 24649 25363 1 1 1 1 1 1 1 1 1 1 1 1 380.0962 *380.0962* C15 H16 N4 O8 1 1 3468 3690 4592 4841 14280 15476 1 1 11880 12545 10850 11689 1 1 1489 1 2159 1953 1 1 1 1 1 2302 1 1 12639 13689 1 1 5634 5633 3140 3315 1403 1 1 1 13245 13206 1 1 1835 1780 2643 2339 25547 26046 1 1 1 1 1 1 1 1 1 1 7854 7719 1 1 10172 9370 22493 22419 1 1 8603 9091 1 1328 1 1 2697 2951 1 1 37980 38724 1 1 6789 6194 3414 3195 1 1 380.0962 *380.0964* 380.0964@3.654791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.0964 *380.1011* 380.1011@0.95895654 1 1 1 1 1 1 1 1 1 1 8170 1 1 1 1 1 1 1 28065 29542 12477 11628 1 1 15508 14701 16934 18025 1 2799 1 1 1 1 1 10293 66878 63912 1 1 1 1 1 1 1 1 1 1 73001 70255 1 1 8652 12179 1 1 1 1 1 1 1 1 1 1 76418 76313 1 1 1 1 1 84380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.1011 *380.1045* 380.1045@1.044063 1 1 1 1 1 1 1 1 1 1 9725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.1045 *380.1066* 380.1066@0.9315403 1 1 1 1 56172 61543 1 1 92986 100965 97780 112195 1 34176 1 1 1 1 1 1 1 1 65974 65715 1 1 1 1 35468 35311 1 1 1 1 49234 1 1 1 1 1 1 1 1 1 47281 48173 1 107148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107505 103641 1 1 69491 1 72442 70434 1 1 1 1 24214 24190 110712 1 1 1 1 1 55952 59886 1 1 380.1066 *380.1607* C19 H20 N6 O3 1 1 1 7036 10014 1 13894 1 10576 1 1 6437 1 15182 14691 9314 12568 1 1 1 14390 1 1 11621 1 13502 1 11393 1 2085 7479 13693 1 8596 1 12098 12869 12136 11299 11798 6835 10272 1 6001 1 1 8144 9940 1 1 1 6023 5662 14208 8082 12377 12288 11303 1 6713 4842 6553 1 8987 1 1 1 1 8308 9619 9169 7322 1 8672 1 5595 10521 1 1 9795 1 5741 1 8365 5245 6588 4725 5172 1 1 380.1607 *380.1607* 380.1607@10.196826 1 1 1 1 2290 5087 1 3978 3722 1 5057 3698 1 4212 3902 4286 1 5794 1 1 1 6999 3468 1 5132 1 1 1 4531 3597 5316 1 4279 1 1 1 1 1 1 1 1 1 3787 1 4417 1 1 3953 1 4889 7187 1 1 1 3431 1 1 1 1 3957 1 1 3481 1 1 1 1 3912 1 1 1 1 1 1 1 1 1 6113 1 1 1 1 1 1 4573 1 4482 1 1 1 380.1607 *380.1613* 380.1613@10.0904255 13770 11487 12532 5948 1 1 1 1 1 15483 7183 7672 6596 1 1 1 1 8334 1 12140 1 5201 1 1 1 1 10514 1 8019 2217 1 1 1 1 11802 1 1 1 1 1 1 1 12526 1 1 6027 1 1 1 7788 1 1 4855 1 1 1 1 1 8396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 1 3707 1 1 1 1 1 1 1 1 1 380.1613 *380.1616* 380.1616@10.138802 1 1 1 1 4743 9580 1 1 4768 1 1 1 1 1 1 4483 1 1 11901 1 1 1 12091 1 7847 1 1 1 1 1688 1 1 8710 1 1 1 1 1 1 1 1 1 1 4289 6895 3943 1 2644 11363 1 1 5973 1 1 1 1 1 1910 3430 1 1 1 6508 1 5403 1 9061 1 1 1 1 1 1 1 5965 1 1 1 5574 1 1 1 5018 1 1 1 1 1 8448 3338 380.1616 *381.8614* 381.8614@0.85862446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 381.8614 *381.8638* 381.8638@0.8243359 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 2098 1 1 1 1 1 1 1 2737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.8638 *381.865* C9 H4 Cl2 N4 O S4 8848 4564 7288 2945 9974 3904 2297 2722 4118 15358 12677 8231 8502 4170 2292 2852 4824 3282 4837 4461 4304 7261 1983 4687 3247 5105 3046 1 1664 1 2446 7564 4672 2598 4990 13495 4738 4649 1811 2996 8414 2795 4928 5135 1 4119 3000 18750 1 2678 2566 4683 4525 4578 4932 5648 4524 4710 4874 4329 2026 4940 4622 8382 4705 4422 4170 3026 4550 2877 1 5228 9638 5139 3255 4598 5340 5407 5384 10844 4946 4543 5103 4314 5551 2935 3137 5455 4650 4240 381.865 *382.0293* 382.0293@5.746493 1 1 1 1 1 1 11958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0293 *382.0314* 382.0314@5.783469 3694 3071 1 1 1 1 1 10688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3687 4088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4763 5242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0314 *382.0365* 382.0365@1.2584567 1 1 1 1 1 1868 1 1 1515 1 1 1 1 1 1775 2136 1 1 2133 2251 1731 1 1650 1657 1 1 1 1 1 1 1 1 2154 2384 1 1 1 2005 1 1 1 1 1 1 1642 1 1 1 2065 2054 1784 2304 1 1 1 1 1 1 1 1 1 1844 1624 1909 1 1 1 1 1 1 1 1 1 1 1 1 2196 2207 1 1 2223 2503 1803 1 1 1 1 1 1 1 382.0365 *382.0597* 382.0597@6.884737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3667 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0597 *382.0911* 382.0911@0.91875434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4424 4196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5550 7219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.0911 *382.1003* 382.1003@2.7766623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4623 5457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1003 *382.108* 382.108@0.918052 1 1 1 1 1 1 1 1 1 1 16882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.108 *382.1597* 382.1597@7.771002 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1597 *382.1671* 382.1671@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1671 *383.1092* 383.1092@0.91851264 1 3656 1 1 3767 3471 4903 4616 3013 2938 1 1 1 1 1 1 1 4671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 1 1 1 3102 1 1 1 1 1 6376 3350 3780 1 1 1 1 1 3928 2527 1 1 1 5335 5518 1 1 1 1 1 3865 7253 7160 1 1 1 1 1 3589 1 1 1 1 3728 1 6287 6402 4206 3827 3814 1 1 7291 4354 4514 1 1 383.1092 *383.2282* C17 H25 N11 2943 3037 3108 3712 3242 3674 3546 3531 2996 2681 1 3589 2908 3220 3694 3661 3388 3857 4613 4686 5330 5170 5189 4661 4523 4831 5129 5676 6239 6005 5300 5394 5622 6165 4959 5386 6137 7129 8079 8261 7793 7521 6804 6963 7149 6685 7611 7179 7179 6667 7108 6694 6453 7327 6811 6671 7921 7971 8406 7936 8153 9006 7492 8201 4775 4953 9455 8606 8956 8937 7928 8928 9026 9350 8584 7828 8418 7809 9482 8657 10220 9792 8923 9279 10046 9368 9642 8087 10188 10096 383.2282 *383.8524* 383.8524@0.8549402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.8524 *383.8591* 383.8591@0.8461843 2857 2823 1 1 1 1 1 1 1 1 1 1 1 8683 1 1 1 1 1 1 1 1 1 1 9014 1 1 1 10882 1 14321 1 1 10638 1 7724 8468 1 1 1 1 8855 1 3240 1 1 1 1 1 10078 1 1 1 1 1 1 1 1 7979 1 3185 12863 1 1 1 1 1 1 10482 1 9974 8599 13750 3169 1 8356 1 5708 1 1 6616 1 9207 2563 1 1 1 11797 2200 8806 383.8591 *384.0349* 384.0349@0.89005303 1 1 1 1 1 1 1920 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.0349 *384.0755* 384.0755@2.883098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2778 2842 1 1 1 1 2312 2348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.0755 *384.082* 384.082@3.6695797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.082 *384.1062* 384.1062@0.9172959 1 1 1 7802 15401 1 20159 20694 1 1 1 1 1 1 7206 1 1 1 1 1 5077 5173 6384 5483 1 1 1 1 3178 1 1 1 1 1 1 1 1 1 1 14956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1062 *384.1265* 384.1265@1.6993579 1 1 1 1 1 1 1 1 1 1 5679 1 4029 1 1 1 1 1 1 1 1 1 1 3018 1 1 1 1 1 2733 1 4472 1 1 1 1 8223 1 1 1 1 1 1 13556 1 5606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5533 1 384.1265 *384.1275* C15 H20 N4 O8 1 1 1 1 4340 4350 1 1 1 3846 1 1 1 6497 6257 4701 1 1 1 5970 1 1 2788 1 8600 8080 14899 14411 12183 3564 4490 1 1 3305 1 1 1 11785 8437 8781 5630 4641 10394 1 5320 1 7792 6610 31561 27583 3250 7590 5989 7093 1 8158 9132 1 1 4901 16922 16753 5937 4930 9169 11726 10247 9391 1 1 20925 13170 1 1 1 1 4030 5689 1 1 1 1 1 1 1 1 14642 12322 1 1 384.1275 *384.1275* 384.1275@1.7677542 1 1 1 1 4698 6083 1 1 1 1 4733 1 6565 1 1 7947 1 4297 1 1 1 1 1 1 1 1 1 1 1 4234 1 3827 1 1 1 1 4720 1 1 1 3494 4383 13531 11505 1 4711 7584 9664 1 1 4826 1 1 1 1 8310 1 10610 1 12377 20371 24473 4370 4465 9708 1 14339 14282 1 1 19868 21988 1 1 17603 18133 1 5973 1 1 1 28290 1 1 28173 25921 11095 12526 9414 12612 384.1275 *384.1279* 384.1279@1.7523403 1 1 1 1 1 1 1 1 1 1 1 10659 1 4871 6379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5074 1 1 1 1 1 1 1 7019 6836 1 1 1 1 15135 1 1 1 1 1 1 8420 1 1 19236 19529 1 1 21640 19673 1 1 1 1 17579 17352 23788 1 34712 28237 1 1 1 1 1 1 384.1279 *384.1588* 19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate 1 1 1 1 8897 8168 1 1 7220 8309 14654 13841 1 1 4688 4818 8580 8094 1 1 1 1 5576 5794 1 1 1 1 17892 18013 1 1 26129 25734 1 1 12980 13318 1 1 3940 3599 1 1 1 1 3459 3456 1 1 9394 9204 1 1 1 1 24105 23752 2578 3251 1 1 1 1 1 1 6263 6091 1 1 3488 4022 1 1 1 1 1 1 20090 20341 24703 25064 8076 6850 3251 3154 3307 3025 1 1 384.1588 *384.1975* 384.1975@4.384399 1 1 1 1 1 1 1 1 1 1 1 1 44106 44105 1 1 10934 10765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3602 3604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1975 *385.0756* 385.0756@4.946159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2615 2430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.0756 *385.1299* 385.1299@1.7039288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.1299 *385.1301* 385.1301@1.7573732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.1301 *385.9378* 385.9378@0.8343819 2244 1 1 2470 8105 1 1 1 1 1 1 1 1 1 4849 2157 1 1 1 1 6586 2283 1 2105 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6163 1 1 1 1 1 7065 1 1 1 1 1 1 1 1 1 1 1 1 1 2202 2107 1 1 6269 2400 1 7491 1 1 1 2125 1 11886 1 5294 7813 1 1 385.9378 *385.9396* C8 H7 Cl N4 O8 S2 5443 9711 8085 5431 1 5124 1 5000 4925 8095 4916 5223 5441 8117 1 9025 5600 7263 10684 5836 2364 6983 6077 6160 10354 8396 8758 7921 7915 5965 8474 11234 7436 5757 5471 8468 11875 6278 5523 8275 5711 5975 5743 6064 5935 6263 5596 1 11178 6024 8648 1 7959 12072 12657 6308 7698 1 6174 5820 8148 5926 10833 9331 7276 5964 9117 6403 11008 6587 6298 9243 7241 11385 5636 2217 6737 8585 1 1 5841 6052 5843 6242 1 1 1 1 6582 10792 385.9396 *386.0952* 386.0952@3.6901245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1298 1 1 1 1 1 1 1 1 1 386.0952 *386.1315* 386.1315@11.262083 1 1 3802 3557 1 1 1 2336 3272 3216 1 1 1 1 2986 3354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1315 *386.1728* 386.1728@13.477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1728 *386.1729* 386.1729@6.0248556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1729 *386.1736* 386.1736@5.263454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 1 1 4779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2793 3232 1 1 1 1 1 1 1 1 1 1 1 1 4458 3768 1 1 1 1 2709 3446 1 1 1 1 1 1 1 1 1 1 2409 1 1 1 1 1 1 1 386.1736 *386.1741* 386.1741@5.212857 1 1 1 1 5102 5487 1 1 1 2638 6865 8229 1 1 1 1 1 3313 1 1 1 1 3605 4403 1 1 1 1 10628 5661 1 1 7212 11995 1 1 5994 5774 1 1 1 1 1 1 1 1 1 1 1 1 2644 3107 1 1 1 1 12501 14474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16707 16301 11025 11617 3479 5610 1 1 1 1 1 1 386.1741 *386.1965* C20 H34 O3 S2 5258 5083 4960 5401 6033 5740 6095 6640 5755 5644 7004 6967 6646 6899 7203 6764 6598 6601 7485 7225 7793 7668 7595 7650 7613 7810 7519 7847 8969 8262 8572 8537 9687 10752 9211 8920 9313 10586 10286 9762 7536 10040 9782 9315 8750 9286 10420 9978 10334 10394 11259 10234 10106 9641 10615 10500 9651 5686 5367 5774 4550 4500 3690 1 5499 4960 3468 5307 5272 5028 4705 4453 4530 4392 4760 4677 4746 4392 4666 4686 4492 4761 4078 4560 5605 5101 4786 5135 5834 6242 386.1965 *386.1974* 386.1974@9.605033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1974 *386.207* 386.207@11.286835 1 1 6264 5950 2287 2899 3147 2940 4068 4120 3542 3754 3572 3178 5751 5743 1 1 2651 3038 1 1 1 1 1 1 1 1 5132 4884 1 1 1 1 1 1 4331 4065 1 1 3465 3125 1 1 1 1 1 1 1 1 3685 4429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 386.207 *386.2643* 386.2643@11.411842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5012 4533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2643 *386.9931* 386.9931@4.0729356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4368 4007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.9931 *387.2373* 387.2373@13.466235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2967 3168 1 3213 1 1 4540 4551 4501 5196 1 1 2537 1 3763 4225 3203 3886 1 1 6012 5135 1 1 1 1 3913 3719 3474 3647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3294 3403 1 1 1 1 4442 4437 1 1 3069 4025 387.2373 *387.9317* 387.9317@0.784995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2682 1 1 1 1 1 1 1 1 2747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 2984 1 1 1 1 1 1 1 1 1 1 1 1 3739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9317 *387.9411* 387.9411@0.77892655 5041 2490 5896 3308 4748 2700 7098 8105 5115 5686 3838 4046 2523 2654 4463 4480 3274 4962 4523 4270 1 1 4427 4338 4781 4944 4864 4789 5627 5312 1 1 5292 4969 3386 6208 5237 3015 5895 3514 5390 5720 6016 5721 5527 5296 6308 6553 3626 5882 1 1 3155 1 1 5100 4610 5012 5721 5839 7015 6690 5511 6198 1 1 4906 4693 1 4412 5102 3426 6692 6167 3179 5663 4537 4962 5298 1 6919 6311 6887 7446 5357 5699 8126 7186 5652 1 387.9411 *387.9427* 387.9427@7.0324345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5355 4883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9427 *387.9766* 387.9766@3.4760613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2462 2517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9766 *387.9972* 387.9972@0.8759377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.9972 *388.0021* C9 H18 Cl2 O10 S 6795 1 5813 8934 10321 1 5295 4820 3468 1 1 1 3522 5806 5877 1 2822 5531 3035 2283 9807 1 3213 3013 6404 10652 10885 6253 11785 2805 11115 11645 7111 12631 7471 1 11131 11503 1 7286 10838 10400 10366 6532 10080 1 7402 2716 8292 8563 7862 2854 7009 10085 3384 1 3312 3428 6291 4007 15043 15016 14213 14952 6832 6101 3217 7350 2925 2264 10218 6232 3118 5424 1 1 4085 10128 3839 4082 1 9213 1 11972 7258 1 7993 1 7141 5459 388.0021 *388.0028* C17 H8 O11 4614 8768 1 5151 3678 3736 4273 2366 1 2538 13167 11588 1 1 1 6333 1 3825 1 1 3124 5922 1 3217 3167 3190 2991 1 6737 4296 7991 3701 1 9946 1 4430 6334 5482 6998 1 6777 3686 6134 3623 3475 6060 3750 5773 5323 3477 3227 1 4479 5898 1 1 1 1 1 4683 8602 8624 8570 8769 1 1 1 5621 1 1 9625 7260 1 1 3310 3532 5449 5626 1 1 3460 5985 8283 4349 7098 3492 4174 4295 3858 3586 388.0028 *388.0031* C18 H10 Cl2 N2 O4 1 7179 5543 1 1 10134 1 1 8509 10716 5596 13764 6144 10488 7259 10109 9778 1 5637 5672 1 6426 10585 4012 1 1 1 7247 1 3817 1 1 11634 1 13843 13668 1 1 13559 12241 1 1 1 1 1 10030 4190 5715 1 1 1 6879 1 1 6609 9978 10413 12185 7829 8522 1 1 1 1 11344 4239 4623 1 9500 9850 1 1 11185 8894 8045 10340 4268 1 7216 10860 9158 1 7846 1 1 9894 5422 9036 1 1 388.0031 *388.0127* 388.0127@4.7964444 1 1 1 1 1 1 8126 8659 1418 1 1792 1634 1 1 1 1 1 1 2530 2396 1 1 1 1 2304 2327 1 1 1 1 1 1 1695 1592 1 1 1 1 1 1 1 1 1 1 2759 3232 1 1 1 1 5327 5541 1 1 1 1 3315 2939 1 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2169 2379 6813 6646 1 1 388.0127 *388.0859* 388.0859@2.8347187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3582 3791 1 1 7279 7500 1 1 1 1 1 1 1 1 22642 23693 388.0859 *388.1187* 388.1187@1.0000644 1 1 1 1 1 1 4014 4191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1187 *388.1519* 388.1519@7.4977436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2507 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1519 *388.1704* 388.1704@5.653393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5053 4845 1 1 1 1 1 1 1 1 3761 3559 1 1 1 1 1 1 1 1 3216 3102 1 1 1 1 4887 4799 1 1 1 1 1 1 4206 4429 1 1 1 2406 1 1 1 1 1 1 1 1 1 1 388.1704 *388.1782* 388.1782@5.7805724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1782 *388.1872* 388.1872@5.7868485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 2930 1 1 1 1 1 1 1 1 1 1 1 1 2815 1 1 1 1 3745 1 1 1 1 1 1 1 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3104 3437 1 1 5088 4742 1 1 1 1 1 1 388.1872 *389.2139* 389.2139@13.284515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3063 389.2139 *389.252* 389.252@14.242953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.252 *389.2524* 389.2524@14.213118 1 1 1 1 1 3563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1 1 1 1 1 1 4519 1 1 1 1 4252 4100 1 4338 4026 4845 1 1 1 1 1 1 1 1 1 3849 4312 4461 1 1 1 1 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 4925 4932 1 1 1 1 4218 4354 1 1 2971 3176 389.2524 *389.9904* C22 H2 N2 O6 4241 3722 2176 1 2119 2913 1 2045 2034 1 1 1 3099 1 1 2471 1 1697 1903 1573 1810 1 1 2643 3244 1 2410 3273 1 3290 1 2354 1 1 1 2928 1 1 1 1 1 2319 1 1842 1 1 1 3374 1 1 2449 1837 1777 1700 2438 2125 2228 1 3346 2419 1 1 1 1 1 1 2134 1802 1450 2011 1 1 1814 1 2716 1 2213 1 2798 1 2270 1 1 1 2898 1808 1 3384 3480 2428 389.9904 *389.9917* 389.9917@0.8375956 5755 1 1 1 1 1 1 1 1 1736 1 1 2042 2310 1 1 2036 1 2416 2657 1 1 2246 1986 1811 2409 1 1 1 2684 1 1 1 1 1 1 1 1 2804 1 1 1 1 3781 1739 1 2038 1 1976 2252 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 2558 1 1 1 1 2227 1 3954 2354 1957 1 1 2106 2592 1 1 2700 2891 1 1 2340 2513 1903 1 389.9917 *390.0434* 390.0434@0.7947881 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1366 1400 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1164 1 1353 1 1 1 1723 1546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1729 1334 1 1 1 1278 1 1618 1 1 1433 1 1575 1495 1583 1576 1367 1459 1836 1594 1426 1336 1657 1 1031 1082 390.0434 *390.058* 390.058@0.9207286 1 1 1 1 1 1 1 1 1 1 4953 1 1 1 1 2575 1 1 1 1 1 1 1 1 1707 1 1 1 2457 1 1 1 1 1 1 1 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4866 1 1 1 1 1 1 1 1 1 1 1 1 1 390.058 *390.0584* 390.0584@1.1969233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3972 1 1 1 1 1 390.0584 *390.0595* C11 H22 N2 O7 S3 10624 10464 10664 10989 11287 9378 17416 17552 12389 11681 3255 12572 8821 7908 10861 8498 9085 7144 11757 11921 12824 14167 10666 9270 8852 9821 10011 10967 8256 1623 11843 13022 10563 10237 11807 12165 7807 10739 10871 13404 11146 13441 1 13772 13056 11577 12055 12813 13023 13222 13317 12506 12483 13370 8156 10329 19672 20765 11734 12834 14407 13617 15071 6216 14731 14265 1 18308 14641 13429 25226 21249 14171 16215 14311 13387 12785 16479 25193 21850 20426 13971 19804 17550 20078 33473 20809 19875 13190 14316 390.0595 *390.0595* 390.0595@1.0159798 1 1 1 1 1 1 1 1 1 1 3872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 1 1 1 1 390.0595 *390.0902* 390.0902@2.8731704 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 390.0902 *390.1031* 390.1031@4.932729 4114 4539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1031 *390.1242* 390.1242@8.494384 1 1 2489 2599 1 1 1 1 2057 1 1 1 1 1 4385 3587 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1242 *390.1289* 390.1289@5.9239492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3695 4077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1289 *390.1981* 390.1981@13.238834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4640 5153 1 1 1 1 1 1 5071 4427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 3878 390.1981 *390.2351* 390.2351@12.789262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5217 5320 1 1 1 1 1 1 2273 2838 1 1 2921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 4363 1 1 7301 7143 390.2351 *390.2997* 390.2997@14.132033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2626 1 1 1 1 3263 2921 1 1 1 1 1 1 1 1 1 1 4675 4545 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7598 1 1 1 1 1 4421 4668 390.2997 *391.0423* 391.0423@1.2446289 1 1 1 1 1729 1 1 1 1568 1 1685 1 1 1 2346 2262 1 1 2014 1 1 1 1 1 1 1 1 1 1436 1504 3230 2398 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1195 1 1 1427 1 2536 2440 1 1 1 1 1 1 1 1 1 1 1 1224 391.0423 *391.8893* 391.8893@0.8562278 2628 2725 1 2400 1 1 1 2219 1 1 2611 2387 1787 1 1 2160 1 2300 1 1 1920 1 1 1 1 1 2638 1 1 1 2039 1 1 2173 2298 1 2104 1 1 1 1978 1 2314 2341 1 1 2242 1 1 1 1 1 1 1 1 2289 1 1 2160 1 2546 2772 1 1 1 1 1 2313 1 1 1 2174 2453 1 2311 1 2765 1 2392 1 1 1 1 1 1 1 1 1 2042 1 391.8893 *391.8963* C6 H13 Cl O7 S5 2269 2118 4600 2083 2123 2317 2970 2938 3120 2268 2146 3693 2393 1 2149 2085 2325 2388 4505 2469 2874 2255 4887 2411 2592 4728 2208 4426 2568 2337 2748 2800 4797 2361 2100 2364 3861 4176 2248 2117 2274 2390 3480 2494 4226 2769 2643 4638 1 2040 2453 2362 6004 2479 4405 2263 4409 2601 3718 4094 2107 2399 2166 2449 2622 2466 2865 2441 2234 1766 2788 3215 2290 2318 2406 2625 2443 6729 3029 5038 1 2392 2458 2339 5900 3821 2249 3835 2620 2659 391.8963 *392.0386* C17 H12 O11 2726 2274 2901 1 7884 7961 2600 2682 6723 6377 6916 6612 2516 2175 10459 11149 3787 1 9001 8835 6638 6737 5393 4701 4268 3388 1591 1627 6609 6867 13854 12983 6441 5782 2627 2594 4582 4618 4094 3581 1 1 1 1 1 1 1 2241 7051 8126 7944 7906 1644 1752 1947 2396 3101 2769 1 1 6703 6911 3723 3245 2784 1 1 1734 1999 1 5282 5543 4392 3892 7041 6966 11702 10954 4341 4068 6758 7152 1 1 3896 3485 3884 1 5377 5948 392.0386 *392.106* 392.106@0.94463867 1 1 1 1 1 1 1 1 1 1 1 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5011 3975 1 1 1 1 392.106 *392.1081* 392.1081@5.2411847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8188 6621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11780 11094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24847 24777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1081 *392.14* 392.14@2.8470204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 2202 1 1 1 1 1 1 1 1 1 1 392.14 *392.1535* 392.1535@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1535 *392.1672* 392.1672@8.402143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1672 *392.1739* 392.1739@8.398339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1739 *392.1848* 392.1848@8.294874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22353 18524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1848 *392.2167* Phe Ala Arg 10481 9916 7157 7264 10669 9716 8831 8328 6508 6817 7334 6804 7147 7252 5529 5669 6129 5948 6903 6518 6851 7222 5455 5559 5112 5334 5441 4909 6646 5348 7002 6595 6075 6599 4552 4667 5691 5304 7491 6793 3409 1 4739 5325 4607 4876 4894 4320 1 1 5396 5585 3772 3342 1 2901 1 3834 1 3832 1 1 1 1 1 3472 1 1 1 2807 1 1 1 1 1 1 1 1 4268 3817 1 1 1 1 2954 3483 1 1 3852 4720 392.2167 *392.2514* 392.2514@13.584971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9208 7031 392.2514 *392.2515* C18 H36 N2 O7 4575 4282 4367 4208 1 1 4040 5512 1 1 2523 4222 1 1 1 1 1 1 4391 1790 1797 3250 4545 7050 3760 1 4311 4555 3449 2836 3909 2830 3561 6913 4958 4973 5483 5168 5359 3854 10345 11221 13539 11207 5167 11575 5583 6373 8201 8852 6013 3701 8730 9312 10751 8868 3496 3927 5870 7121 10994 9096 1 1 9854 3680 8255 11405 11814 9621 10103 11876 13144 10564 12363 13039 10679 10132 4125 4721 12586 11819 10868 10218 4773 6800 4134 3955 6579 6184 392.2515 *392.2518* 392.2518@13.461238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 2903 1 1 1 1 1 1 1955 1 2372 2194 4737 4766 1 1 3848 3127 3427 6794 1 1 1 1 7110 1 4175 4840 1 1 4331 4914 1 1 1 1 5417 6595 4495 5278 1 1 1 1 1 5682 1 1 1 1 1 1 1 1 1 1 1 1 6303 7370 1 1 1 1 6412 5085 1 1 5228 3507 392.2518 *392.2879* C20 H44 N2 O S2 1 1 1 1 5648 5973 1 1 3574 1 4976 4507 1 1 1 3264 1 1 1 1 3978 3805 4688 5146 1 1 1 1 5576 4473 6180 5269 5098 5602 1 1 8006 7908 6830 7059 6251 7495 1 1 5121 4624 8270 8768 3395 1 8845 6658 3376 3921 4787 4337 4498 1 3868 3939 4898 4522 4112 3894 3863 4878 9460 9390 6634 6867 1 1 4879 4893 4123 4776 6286 5882 4471 4642 1 1 8359 7520 7210 6992 1 1 4876 4688 392.2879 *392.2888* 392.2888@12.766497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 2940 1 1 1 1 1 1 1 1 1 1 1 1 2702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2888 *392.2891* 392.2891@12.995065 1 1 1 1 4503 4787 1 1 1 1 2967 3841 1 1 1 1 1 1 1 1 1 1 1 2498 1 1 1 1 4866 4598 1 1 1 2557 1 1 7215 6658 1 1 5904 6838 1 1 3227 1 3951 3434 3804 3482 4814 4926 1 1 1 3824 4986 5223 1 1 3288 3469 1 1 3415 3255 5443 6350 3575 4159 1 1 1 1 1 1 3258 3360 1 1 1 1 4628 5064 5868 6384 1 1 1 1 392.2891 *392.2891* 392.2891@9.21259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5391 5383 1 3974 1 1 1 1 1 1 1 1 1 1 1 1 392.2891 *392.2897* 392.2897@8.847053 3208 3520 1 1 1 1 1 1 3967 3869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5331 5253 1 1 8979 9187 3828 3525 4677 4973 1 1 1 1 4720 4317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4731 4203 3907 2669 1 1 1 1 3928 3978 1 1 1 1 5265 5333 392.2897 *392.2899* 392.2899@9.9094095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29175 28179 1 1 1 18020 1 1 1 1 1 1 1 6758 1 1 9486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59293 58777 53750 53583 1 1 1 1 9494 9647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2899 *392.2899* Murocholic acid 7264 6973 1 1 1 1 6431 6301 1 1 1 1 1 1 2898 2935 8673 8846 3458 3006 1 1 9363 9113 14363 14249 4233 4350 22649 24359 4999 4772 37604 37477 3702 2861 1 2414 11541 11139 6037 6176 5376 4923 9719 9758 1 1 1 1 9292 9048 1 2187 1 1 1 1 7523 7381 2789 1 1 1 90852 88594 31326 30092 1 1 1 1 29182 29125 11190 11639 4266 4076 6919 6968 3300 3399 1 1 3447 3338 10189 10069 5335 5171 HMDB00811 392.2899 *392.2914* 392.2914@12.54071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3418 3295 1 1 1 1 1 1 1 1 1 1 1 1 2235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2914 *393.0529* 393.0529@4.79756 1 1 1 1 1 1 6280 6672 1 1 1 1884 1 1 1 1 1 1 2069 2089 1 1 1 1 1992 2650 1 1 1 1 1 1 2010 2057 1 1 1 1 1 1 1 1 1 1 3058 2501 1 1 1 1 3745 4383 1 1 1 1 2416 2316 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2951 2425 5095 4946 1 1 393.0529 *393.0657* 393.0657@3.4848976 1 1 1 1 1 1 1 3707 1 1 1944 6112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9728 9651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11871 13127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7233 7687 1 1 393.0657 *393.1112* 393.1112@0.9057378 1 1 5886 5705 4058 4623 8390 8496 4289 3988 4294 4303 5693 5806 6834 6606 1 1 5032 4672 6950 7186 6876 7133 6511 7079 6236 5900 7514 7426 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.1112 *393.1307* 393.1307@3.6642087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.1307 *394.0109* C10 H11 Cl N6 O7 S 26828 37486 29995 40098 40338 38940 31212 34791 39484 40539 14694 6204 42146 40279 40803 41159 39953 37557 37087 39278 40740 40959 42051 44030 38348 13955 40747 42677 42142 29344 40222 38772 44866 42959 44939 43073 42702 42276 43348 44680 45200 44920 28202 41438 43700 44443 30511 42094 17463 43134 45569 43702 41741 39726 40660 44500 40420 42918 41379 42052 42501 44082 44786 45562 39706 41012 37818 38877 40850 40701 36924 37413 41012 35699 40300 43939 41773 44739 33046 39990 41893 41212 38610 45363 41327 41698 46219 46870 45172 45086 394.0109 *394.0117* C14 H15 Cl O9 S 36414 36595 32539 32060 33147 32382 28640 27044 31488 32003 36414 34981 30371 32942 35001 34705 31966 32560 34035 29351 35940 34055 35036 33412 35008 32004 36601 35291 36921 36783 32778 33703 33279 35136 36498 36233 35950 33440 38279 35775 34155 34663 35376 33253 35842 34262 34263 35756 35984 33785 32657 31011 30689 33837 31374 33710 32885 30301 34187 36097 38546 37578 39695 37337 34718 33519 32104 31162 33237 32929 32372 32953 35262 35174 35668 35011 34718 33611 33566 32886 34838 36780 38155 35825 35930 33974 36761 34082 39445 37359 394.0117 *394.012* 394.012@0.9004145 13438 1 8770 1 1 1 1959 1 1 1 13142 31178 1 1 1 1 1 1972 1 1 1 1 1 1 1 27214 1 1 1 1 1 1 1 1 1 2477 1 1 1 1 1 1 12479 1 1 1 14070 1 13422 1 1 1 1 1 2712 1 1 1 1851 1 1 1 1 1 2937 1 2088 1 1 1 3133 1 1 4370 1 1 1 1 7572 1 1 1 3582 1 1 1 1 1 1 1 394.012 *394.0902* 394.0902@1.2206424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3364 3475 1 1 2146 2162 1 1 1 1 1 1 2433 2401 2457 2472 1 1 2472 2121 1 1 1 1 1 1 1 1 2433 2234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 2287 1 1 1 1 1 1 1 1 4102 3644 2196 1 1 1 3917 4293 1 1 394.0902 *394.1003* 394.1003@0.9101258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3207 1 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4447 1 1 1 1 1 2724 2768 2335 1 2466 2378 1499 2779 1 1 1 1 1 1 2783 1 394.1003 *394.1062* C15 H26 N2 O4 S3 5837 5575 15030 14454 12754 12065 23233 24094 11016 9764 8307 7109 14333 15257 19845 17260 12209 12542 13039 12562 17966 16586 18158 18536 18632 18510 16049 16479 19384 18514 1 1 1 1 1 1 1803 1 1 1 4823 3979 1 1 2681 2932 1 2849 2265 1 1872 3034 1 2758 1 1 1 1489 4072 3691 1 1 1 1 1 1 1 1 1 3370 1664 2008 1 1 1 1 1 1 1 1 1 1 1 1 2991 2350 3188 2788 1 1 394.1062 *394.1235* 394.1235@5.3747153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10105 10629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.1235 *394.1574* 394.1574@6.030954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3871 4761 1 1 6701 6827 1 1 1 1 1 2770 1 1 5772 5651 1 1 1 3037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 3474 1 1 1 1 1 1 1 1 394.1574 *394.1764* C17 H34 N2 O2 S3 5846 6961 8547 10812 7284 7474 6463 7446 11339 3147 1630 8196 8159 12857 7696 8726 14873 10702 7555 7358 11091 2673 9432 9505 7339 9248 4751 7165 4179 3020 6505 5658 6196 6565 14038 12398 4662 5217 1 9199 5844 7116 5929 8755 1 6659 1 5357 5705 11055 5672 4922 8034 12809 6742 4391 5034 4829 4636 4863 5175 5077 3615 4719 4498 1 5193 1 1 1 1 1 1 1 1 6027 1 1 1 1 4047 1 1 1 1 1 1 7425 1 1 394.1764 *394.1765* 394.1765@10.701335 6966 1 4103 2621 4292 5387 1 1 3927 9078 4595 1 6413 1 6223 5582 1 1 5236 1 1 7114 1 1 1 1 3337 6428 8156 3484 1 1 1 5796 1 1 5332 5910 1 1 1 1 1 1 4909 4543 1 5629 1 1 5612 1 1 1 4989 4997 3832 1 1 1 5260 1 1 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 1 1 1 1 2876 394.1765 *394.1775* 394.1775@10.83534 3830 1 1 1 2812 1 1 1 1 4689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.1775 *394.1776* 394.1776@10.739116 1 1 1 1 1 1 1 1 1 4179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.1776 *394.2665* 394.2665@14.209137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2870 1 1 1 1 1 1 1 1 1 3876 1 1 1 3773 4000 3547 3871 3777 2847 3582 1 5746 1 1 3973 3684 1 1 1 1 394.2665 *394.267* 394.267@14.226703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4265 2333 4605 5947 3459 3977 1 2788 1 1 4428 4205 1 1 5022 5133 5489 5706 1 1 2565 2479 4235 4315 1 1 2909 3041 4379 6304 3938 2885 8221 4820 8478 4721 3556 4837 3609 3233 2447 3346 8819 3886 9109 8803 3507 3213 1 1 6491 3813 394.267 *394.2816* 394.2816@14.44165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 1 4550 3223 4688 1 1 1 1 1 5067 1 1439 1 1 1 7230 7062 1 1 1 1 7675 8350 1 1 1 1 1 1 1 4959 1 1 1 1 1 1 2885 1 1 1 4802 5375 6598 4769 1 1 1 1 1 4492 1 1 6666 7289 394.2816 *394.2825* C17 H39 Cl N6 O2 23250 24830 22610 23178 31978 31411 30064 32014 18380 18345 25778 25259 21848 20416 13782 12750 17399 17096 31954 32606 34707 33994 16657 15474 12238 13078 20515 20825 49868 46459 51998 52050 40125 17412 6798 7312 21030 57184 69175 42499 11812 9339 13936 20177 41494 45297 36894 31831 10724 8692 41616 76037 20707 11910 13012 20353 63517 71338 35744 26253 16429 27762 19331 22729 75160 76458 25636 21513 37579 46051 37068 34515 41308 45124 31556 36588 49913 50489 74976 74268 26335 23637 32680 37294 50364 49486 7495 1 25421 107510 394.2825 *395.0612* 395.0612@3.6646194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1897 1 1 1 1 1 1334 1 1 1 1 395.0612 *395.0749* 395.0749@0.934991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.0749 *395.0805* 395.0805@2.875736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6578 395.0805 *395.0947* 395.0947@8.393325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.0947 *395.1085* 395.1085@1.0520637 1 1 1 1 1 1 1 1 1 1 3241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.1085 *395.1432* 395.1432@3.1624362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 1 1 1 1 1 1 1 395.1432 *395.8946* 395.8946@0.80593866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.8946 *395.8952* 395.8952@0.8029187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 1 1849 1 1 1 1 1 1 2309 2935 1 1179 1 1 1 1 1 2287 1 2330 1 1 1 1 1 1 2142 1 1 1021 1 1384 1 1 2646 1182 1 1 1 1303 1 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 1 1 1 1 2461 2414 1 1 395.8952 *396.0082* 396.0082@0.87234837 1 1 1 1 1 1 1 1 1 1 7839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.0082 *396.0092* 396.0092@0.892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.0092 *396.0713* C19 H8 N8 O3 1 1 1 1 4469 4725 1 1 5346 5614 9581 8896 4588 3506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 3491 1 1 1 1 6043 6080 8057 8023 3435 3609 15053 14652 5485 4622 4323 4643 6327 5790 5633 5212 1 1 3814 4165 10422 13470 10103 11729 6395 6689 12636 12522 13284 14197 1 9417 5712 5981 9352 8188 9199 11292 7271 8334 3675 1 1 1 1 3802 10244 8387 5486 6003 3310 3202 1 1 396.0713 *396.1053* C20 H28 S4 1 3777 1 1 1 1 1 1 1 1 14549 15434 1 1 1 1 1 1 14135 13052 6041 10124 4452 4430 1 1 7755 7013 5584 4727 15143 14873 4857 1 13291 11816 1 1 1 1 1 1 3226 4587 1 1 1 1 1 1 5694 5017 7807 8035 1 1 4883 4947 1 1 1 1 4512 1 1 1 1 5054 1 1 1 1 1 1 1 1 1 1 1 1 4504 3978 1 1 10994 9822 8470 7493 1924 8782 396.1053 *396.1054* 396.1054@1.0369785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6571 1 396.1054 *396.1217* 396.1217@0.9060217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1217 *396.1335* 396.1335@5.250678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1335 *396.1337* 396.1337@5.210907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46163 49294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1337 *396.1642* 396.1642@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1642 *396.1948* 396.1948@7.8698306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3406 3796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.1948 *396.2528* 396.2528@13.236331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2979 2883 1 1 1 1 1 1 3051 3188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 2774 396.2528 *396.282* 396.282@11.212228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5533 5943 1 1 1 1 3340 1 1 2417 5996 8059 8068 1 1 1 6083 5890 8719 1 1 1 5738 1 1 1 1 1 1 1 1 1 4851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5661 1 1 1 1 1 1 1 1 4977 396.282 *396.2823* 396.2823@11.212195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6067 1 1 1 1 1 1 1 1 5666 3726 1 1 1 7519 1 1 1 1 1 11258 7749 4894 1 8237 7821 7655 8554 8548 4868 1 7541 9505 1 1 5707 6866 8560 8317 6708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7086 1 1 1 1 1 1 1 1 1 3921 396.2823 *397.0042* 397.0042@3.3465602 1 1 1 1 1 1 2508 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0042 *397.0907* 397.0907@0.93103474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0907 *397.1501* 397.1501@10.098012 1 1 1 7391 1 1 1 1 1 1 2508 1 1 1 8439 1 6267 1 1 1 1 1 1 1 1 8123 1 5306 1 1169 6920 1 1 1 1 1 5270 3335 1 1 1 1 1 1 1 1 1 1 1 1 5751 1 2604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1501 *397.1511* 397.1511@10.104891 1 5145 7736 1 7926 5797 1 7686 9638 9075 1621 8248 8487 6323 1 8761 1 5588 1 4671 7768 7987 7653 5330 7079 1 6224 3526 3514 2122 1684 1 5895 1 6062 8151 1 4133 1 1 1 7669 4876 7680 7104 1 5128 8114 4380 4979 1 7067 6459 1 5938 7496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1511 *397.2233* 397.2233@14.043028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2502 2844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.2233 *397.2819* 397.2819@14.647783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.2819 *397.8405* 397.8405@0.8419931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.8405 *397.8456* 397.8456@0.8494611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.8456 *398.0077* 398.0077@4.8412733 1 1 1 1 1 1 1 1 1 1 3014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.0077 *398.0088* C11 H14 N2 O10 S2 97158 96428 68073 66707 102996 1 73556 70970 103366 1 68601 66737 1 1 1 99557 1 1 78596 109197 104186 103595 98078 99838 79513 1 101386 99719 1 76606 101957 101210 112849 73362 1 1 1 96020 99818 98897 66641 67491 1 1 53158 61559 3751 1 101797 100968 68463 76938 44158 44268 100831 103607 80899 76118 59713 1 1 1 55529 53886 109671 110792 82856 117594 96007 97085 115443 113359 99538 97748 79286 79932 122212 121173 85872 69883 103733 106203 69474 68415 126572 127025 86413 86916 43225 42170 398.0088 *398.009* 398.009@4.789725 1 1 1 1 1 101016 42045 41469 1 52424 37035 39592 94548 95921 99076 1 97210 96997 31820 1 1 1 1 1 28835 58066 1 1 103057 26515 1 1 1 39658 107683 106082 96908 1 1 1 1 1 102412 100994 61353 49356 1 4226 1 1 46501 38965 1 1 1 1 36848 40801 1 60099 2509 2193 1 1 1 1 35896 1 1 1 1 1 1 1 1 1 1 1 35459 53850 1 1 1 1 1 1 44308 43313 1 1 398.009 *398.0148* 398.0148@0.8019582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.0148 *398.0709* 398.0709@5.1415625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4918 4980 1 1 1 1 398.0709 *398.0864* 398.0864@0.9310515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49118 49119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.0864 *398.0935* C28 H14 O3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1547 1 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1617 3406 3117 1 1 2162 2406 3400 2521 1327 1 1669 1590 2951 2973 1996 1772 3182 3310 3713 3744 1650 1517 1 1 1978 1860 2850 2843 3170 2980 2939 3272 2717 2145 2909 3047 2306 3389 2835 3046 3440 3188 2177 2016 3035 3295 1338 1 398.0935 *398.0942* 398.0942@0.9267165 1 1 1 1 1 1 1 1 3683 3248 3545 3602 1 1 1 1 1 1 4816 4463 1 3230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4856 1 1 1 1 1 1 1 1 4558 1 1 1 1 3224 4901 1 1 3506 3685 1 1 1 1 1 1 1 1 6199 5799 1 1 1 1 398.0942 *398.1038* 398.1038@0.9243018 1 1 1 1 3427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2934 1 1 1 1 1 1 1 1 1 1 2724 4854 4921 1 1 1 3140 3696 1 5956 4709 3736 3501 1 1 1 6159 1 1 1 1 7443 8356 1 1 4648 4834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 1 1 3905 3583 3320 3769 398.1038 *398.1063* 398.1063@0.9186977 2214 1 1 1 1 3330 1 4017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4502 1 1 2910 1 2540 3549 5139 4109 1 1 1 1 3248 2883 1 1 1 3430 1 1 1 1 3653 3446 1 1 1 1 4436 4947 1 1 1 1 1 1 1 1 1447 1 2767 1 1 1 1 1 1 1 3646 3213 4438 1 1 1 1 1 1 1 398.1063 *398.1136* 398.1136@0.915327 1 3526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 1 1 1 1 1 1 1 398.1136 *398.1208* 398.1208@0.9131425 3164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4533 1 7228 5250 1 1 1 1 1 1 1 1 1 1 398.1208 *398.1553* 398.1553@5.34965 1 1 1 1 1 1 1 1 1 1 1 1 26924 26710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1553 *398.1772* 398.1772@4.369128 1 1 1 1 1 1 1 1 1 1 1 1 38340 38923 1 1 18399 18410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1772 *398.1829* 398.1829@6.677054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4475 4808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3251 3226 2389 1 1 1 1 1 1 1 1 1 6260 6643 3754 3784 1 1 4092 4165 1 1 1 1 1 1 1 1 2320 1 1 1 2311 1 1 1 4958 5042 398.1829 *398.2094* 398.2094@7.2244005 2675 1 1 1 1 1 1 1 1 1 6260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3863 1 1 1 1 7543 1 1 1 5704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7635 7352 1 1 1 1 8039 1 1 4413 1 3466 398.2094 *398.2098* Pregnanolone sulfate 1 2616 1 1 1 1 1 1 1 3354 1 5705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2797 1 5728 3763 1 1 15179 16655 1 1 6641 7562 1 1 7890 7254 4875 4845 4422 1 6819 7063 1 1 1 6868 4352 4472 1 6026 1 3102 12563 13148 1 1 1 1 6013 5442 6108 7179 1 3209 12665 13410 4758 4591 1 1 1 1 1 1 6765 7096 8181 7452 1 7242 4362 1 3801 1 398.2098 *398.2284* 398.2284@9.234106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5056 5422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2284 *399.138* 399.138@3.6457906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 3824 4187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4104 3900 1 1 1 1 1 1 1 1 399.138 *399.8305* 399.8305@0.84197783 5182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.8305 *399.9421* C11 H4 N4 O9 S2 2386 2616 6610 6567 1 1 11002 11356 11302 11109 7418 7737 1 1 4019 3820 1 1 1 1 4097 4425 3522 3269 5523 5363 2995 3179 10081 9847 5233 5118 1 1 1 1 4851 5118 5808 6098 1 1 1 1 4145 3888 5385 5856 1 1 4214 4225 1 1 4644 4955 1 1 1 1 1 1 1 1 2602 3176 1 1 1 1 1 2861 4685 4650 1 1 5057 4365 1 1 1 1 1 1 4167 3757 1 2725 5433 5981 399.9421 *400.0836* C26 H12 N2 O3 4152 4262 2154 1928 4727 4592 3829 3985 2484 2612 3807 3434 1 1 1 1791 4632 4129 2622 2454 1 1 1 1 4923 4910 2122 2224 1 1 1 1 4310 3611 1 1 2396 2434 1 1 1 1 1 1 3459 3582 1 1 1 1 4093 3971 1 1 1 1 1768 2125 1 1 1 1 1 1 2697 2798 1 1712 1 1 1 1 1 1 1 1 1 1 1920 2112 1 1 1 1 1 1 2419 2319 1 1 400.0836 *400.0858* 400.0858@0.9540595 1 1 1 1 1 1 3546 3953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.0858 *400.1519* 400.1519@3.6807017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.1519 *400.1805* 400.1805@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.1805 *400.2221* 400.2221@10.915641 1 1 4760 4542 1 1 1 1 3922 3832 1 1 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4069 3852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2221 *400.2224* 400.2224@12.356554 1 1 2595 1 1 1 1 1 4048 3861 1 1 1 1 3474 3713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3700 4473 1 1 1 1 1 1 1 1 3746 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2224 *400.2229* 400.2229@11.8467655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 3491 1 1 1 1 1 1 1 1 5294 4803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2229 *400.2258* 400.2258@7.3862247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3850 3487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2258 *401.2543* 401.2543@11.18791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2543 *401.9144* C9 H4 Cl2 N2 O12 10674 1528 4316 1 1520 1 1220 3367 1467 4441 1894 3323 2688 1534 1439 1675 1322 3445 4707 1277 1584 2896 1520 3876 1546 4594 1500 5460 4197 4251 2022 1864 4844 1927 1619 1600 2527 2713 1840 1 1 1633 5909 6825 2771 1521 4615 1 1 1485 3999 4553 2050 1372 1543 1507 2530 3775 2815 1816 1794 2725 4950 1961 2066 4503 1740 2851 1607 4164 1863 1797 3566 4167 6389 1 1964 2504 1775 3971 3291 2350 2856 2376 6021 1714 4267 7429 3768 5851 401.9144 *402.1272* 402.1272@9.614414 4058 3691 4825 4002 4086 3915 4235 4208 3605 3898 4298 3779 3834 1 3357 3255 1 1 3370 3452 2779 2693 1 3057 1 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.1272 *402.1844* 402.1844@7.810963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3502 4016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.1844 *402.2484* 402.2484@6.649908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2484 *403.2173* 403.2173@6.610198 1 1 1 1 3941 4436 1 1 1 1 1 1 1 1 1 1 1 1 2691 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.2173 *403.7826* 403.7826@0.84301263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.7826 *403.9228* C16 H8 N2 O S5 29210 29216 33905 35287 32674 31442 39512 38738 34637 35415 27630 27823 32799 33981 31235 33950 33107 33631 32810 32579 23298 22933 30952 31779 32430 32776 32798 32981 35447 33365 27589 27203 34043 32943 39186 39422 35041 34338 38997 38802 32045 35389 37122 35066 33385 33920 39610 40301 37658 38457 30325 30702 35614 37566 34960 34111 37516 35849 36560 38824 35730 36066 35279 32714 26287 28984 34258 35341 32265 32256 35804 35395 38052 37996 36927 37435 32995 34767 37222 36307 41912 40534 38094 37502 36929 34797 44221 42137 35625 37932 403.9228 *404.0292* C14 H20 N4 S5 3065 2597 1 2397 2348 2133 1791 1 2085 1 2853 2391 1 1968 2551 2129 1876 2509 1 1730 1815 1742 1869 2053 2270 2329 2630 2146 3176 2300 1682 1835 2501 2996 3278 2607 3060 2119 2488 1 2445 2156 2358 2233 2287 2272 2363 1 2502 3047 1 1 1986 2472 1 2082 1980 1 1 2956 1 4035 3244 3558 1891 1565 2169 2710 1752 1742 2286 2046 3160 2508 2145 2078 2544 2368 2601 2703 3214 4447 4450 3283 2086 2567 4191 3324 2783 2901 404.0292 *404.0717* 404.0717@4.4937973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7092 6703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.0717 *404.0732* C23 H17 Cl N2 O S 5853 3636 1 2926 3825 2770 1 1 2686 1 3274 1 6091 3110 3689 1 1 1 2569 1 9950 1 3387 1 3292 3201 3903 3237 4880 3359 1 1 1 1 1 1 1 2723 2864 2642 1 2561 2373 1 2168 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 3350 3365 3343 4481 4593 3099 3343 3348 5556 2693 1 3117 2749 3569 4096 3371 3733 1 3348 1 2755 1 1 2794 2616 3086 1 1 3020 3979 3893 404.0732 *404.0809* 404.0809@0.91469264 1 1 6258 1 1 1 1 1 1 1 1 8866 1 1 1 9389 1 1 1 1 1 8890 1 10784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.0809 *404.0879* C17 H21 Cl O9 1 4035 1 3533 4566 5409 7491 9523 5597 8230 2064 1 2691 5461 5505 1 7768 4870 5904 8270 1 1 6674 1 6057 5769 5552 5964 2651 4951 1 1 1 1629 1 1 1 2183 1 1561 6091 3818 3941 7097 3976 4014 6704 1 4310 5754 4323 4289 5876 2827 1 1 4654 3612 4069 3673 3597 2426 1 1 3466 2535 2739 1 4614 4448 2086 2046 2973 1 4013 4381 5890 4144 3963 3821 2830 3367 1 2042 3992 4132 3814 2397 6189 5682 404.0879 *404.1709* 404.1709@3.5972366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16092 15777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.1709 *404.2539* 404.2539@11.816802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7546 7102 1 1 1 1 1 1 8000 8398 1 1 1 2450 1 1 1 1 1 1 1 1 9292 9388 1 1 3410 3477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2539 *404.2697* 404.2697@13.969489 1 1 3311 1 1 1 1 2570 1 1 1 3354 1 1 1 3463 1 1 1 1 1 3580 1 1 1 1 1 1 1 1 1 2687 3821 4107 3602 1 3627 3599 1 1 1 1 1 1 3551 3883 3802 3427 3964 4092 1 3681 3643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2697 *404.3112* C26 H44 O S 13742 13629 17841 17147 19628 19355 16860 17112 13585 13598 14555 13491 14401 14095 9297 11681 12171 11765 17826 17321 21198 20649 13223 13557 11628 11405 13406 13631 24239 24211 27110 29523 26503 26495 13486 12880 33158 33562 28973 28144 17536 19447 22905 22625 33446 32182 31427 31224 14722 13681 44775 44912 18317 17883 21361 22006 46654 45178 27971 27911 15538 14473 17731 18915 36031 35441 28182 26919 28387 27316 23800 22904 34016 33229 28063 27763 36414 36200 45833 46729 24613 24833 27631 26074 33671 34243 9249 9732 47193 48745 404.3112 *404.3118* C18 H40 N6 O4 140977 144210 142360 143778 167416 177154 167364 181797 107675 106186 128733 129813 120378 121419 77776 79336 95171 95259 158635 154156 196011 196480 108967 115063 78965 81999 104435 100263 217064 218310 271461 277986 261955 227123 100447 95702 263284 288096 356613 340353 142738 136622 205479 210111 268468 273991 271934 265109 105988 104099 381106 398896 148568 136491 149502 152365 350820 363568 243064 227602 154246 159501 131636 121459 337675 336809 189739 191880 232740 236804 206750 196204 278088 276834 205517 210931 253800 248301 363182 367382 214475 201179 209423 215189 322518 322216 59774 58731 425285 511721 404.3118 *404.3118* 404.3118@14.71557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9855 1 1 1 1 1 1 1 1 4167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10083 1 1 1 1 1 1 1 1 4630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.3118 *405.0475* 405.0475@4.9335146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9366 9517 1 1 405.0475 *405.162* 405.162@3.160292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3741 3937 1 1 1 1 1 1 1 1 1 1 405.162 *405.223* 405.223@4.0863514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5908 5660 1 1 1 1 1 1 1 1 1 1 1 1 405.223 *405.7795* 405.7795@0.8464358 1 1 2846 4772 2587 1 2936 10088 1 3050 1 1 2916 1 1 2760 1 1 2993 2997 2925 2758 2818 3014 3027 1 2733 3040 2912 2781 3455 2675 2756 2867 1 2898 2937 2910 2999 1 2794 2778 2962 3102 3182 3549 2965 1 3505 3670 3052 3090 3368 3596 3109 3086 2973 2962 2839 3161 2396 2683 2826 1 3038 2983 3363 3296 3730 3640 2983 2878 3005 3352 3405 8801 3250 3698 5607 3077 3449 3718 2822 3341 3539 3026 3121 3223 3538 3255 405.7795 *405.9621* 405.9621@0.8723051 1 1 1 1 1 1 1 1 1 1 18467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19096 1 1 1 1 1 1 1 1 1 1 405.9621 *406.0181* 406.0181@0.7938243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1442 1 1329 1 1 1249 1 1 1 1 1 1357 1 1 1 1136 1 1 1 1 1 1 1 1 1 406.0181 *406.0338* 406.0338@1.2404281 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1649 1735 1 1 1847 1685 1 1 1 1 1 1 1 1 1311 1 2422 2375 1482 1567 1 1 1 1343 1 1 1 1 1 1 1 1 1 1 1943 1813 1744 1898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1 2305 2065 1 1 1 1 1 1 1 1 1128 1393 1526 1605 406.0338 *406.1242* 406.1242@6.7690034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1242 *406.1243* 406.1243@6.424373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24972 5573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1243 *406.1245* 406.1245@6.6407647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13200 13133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27749 27458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172568 169187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1245 *406.1246* 406.1246@6.578173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1246 *406.1249* 406.1249@6.3369513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10497 10910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1249 *406.1249* 406.1249@6.553778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6938 6721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14041 14300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92393 20937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1249 *406.1489* 406.1489@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1489 *406.1598* 406.1598@9.85666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4770 5155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1598 *406.1943* 406.1943@9.020985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6478 1 1 406.1943 *406.1944* C18 H34 N2 O4 S2 16369 15531 18190 17842 19666 19969 18936 18037 19098 18358 18312 20712 20723 21065 22794 22631 22070 22894 23481 26884 24199 23764 25340 25731 26638 27175 28876 36769 31267 24594 28419 26867 28216 30050 28768 28203 28759 27851 28650 28721 31937 32775 36077 33770 35151 36039 18288 17297 26253 31934 26408 24725 35780 40805 34789 36816 41924 41775 12836 12901 37131 36807 41337 38341 29615 24644 33184 33188 33055 36739 44937 45293 38939 46256 44687 43622 42136 37388 46802 47051 50686 49277 48718 48898 25728 24220 44307 33795 19859 18082 406.1944 *406.1971* 406.1971@6.706548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1971 *406.1981* 406.1981@10.8164425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 1 1 1 1 1 1 3521 3569 3263 1 1 4108 3203 1 3295 3291 4155 4282 4415 4253 1 4065 3817 3989 1 3792 3979 3940 3784 3524 4046 1 3926 3948 3933 4407 4446 4666 1 3453 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 3422 1 1 1 1 1 3196 1 1 406.1981 *406.2695* 406.2695@7.935636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4371 4478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13991 13426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2695 *406.3138* 406.3138@14.687612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 406.3138 *407.1895* C28 H25 N O2 4764 4444 4123 5304 4696 4576 5392 4592 4443 4080 4321 4654 3965 3776 3551 3470 2908 3195 3166 3767 3813 3266 3594 3577 1 2639 1 1 2499 2609 1 3134 1 2616 2372 1 2291 2369 1 1 2593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.1895 *407.1974* 407.1974@8.945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.1974 *407.3224* 407.3224@10.280717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1 1 1 1 1 407.3224 *407.7797* 407.7797@0.84400403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.7797 *408.1297* 408.1297@6.6272483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1297 *408.138* 408.138@6.474329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3093 3289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.138 *408.1394* 408.1394@6.3024817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6178 5815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1394 *408.1401* 408.1401@6.726096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73939 74334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1401 *408.1772* 408.1772@3.648685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13486 1 1 1 1 1 1 1 1 1 1 1 1 1 9135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1772 *408.1777* 408.1777@8.96333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8039 6948 1 1 1 1 1 1 1 6196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1777 *408.1916* 408.1916@11.179934 4228 1 4619 7800 1 1 3530 6288 1 6165 2528 1 4404 1 3714 5522 1 4265 1 1 1 1 1 1 3998 7113 5208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1916 *408.2124* Phe Arg Ser 12228 12327 11002 11021 7766 8179 6380 6572 12687 13024 5779 5919 9666 9331 10696 10773 8836 8752 8695 8356 7808 7492 4104 4059 8970 8972 8503 8582 4596 4853 9718 9858 6908 7101 8056 8071 18178 18346 9704 9872 10601 11328 9697 10912 6926 6837 10155 9733 8554 8138 10467 10760 15000 14273 11864 12152 9622 9555 6923 7080 10734 10034 8451 8529 12647 12207 14531 15455 8318 8320 17547 17844 5762 6030 5884 6219 11881 11887 4384 4396 13675 13285 10049 10448 14203 13893 9356 9992 20496 19997 408.2124 *408.2848* 408.2848@8.599634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4502 5286 1 1 1 1 68637 70071 1 1 9031 8760 1 1 1 1 1 1 10299 11309 1 1 9291 9296 1 1 1 1 1 1 1 1 3305 4023 1 1 11421 11160 1 1 1 1 15625 16751 116917 114033 1 1 1 1 18637 19091 1 1 1 1 1 1 1 1 1 1 1 1 5925 5751 1 1 408.2848 *408.2849* 408.2849@7.702732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4471 4813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13836 14015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2849 *408.2849* 408.2849@7.4253645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4242 4363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2849 *408.2854* 408.2854@7.320185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2854 *409.038* 409.038@4.935873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3386 3097 1 1 409.038 *409.9833* C13 H7 Cl N6 O6 S 34689 17347 16646 17062 18048 16677 14729 12798 16340 14181 23617 16118 16125 17903 16917 18124 15330 13650 14551 13279 16644 18497 11666 17301 18455 14630 10392 21723 23617 19157 11862 18602 18088 18764 20458 22124 20290 19022 19897 17280 19721 17793 17464 17870 15879 16332 15273 17302 16362 15472 10749 15707 14136 16632 18895 15945 14829 16734 18485 18571 22221 23236 22117 21113 16476 13085 14815 15183 14362 14739 14864 16665 18674 16416 17304 11373 18690 15544 18117 16673 15976 17304 19849 20510 17605 17324 17657 19321 16805 15496 409.9833 *409.9841* C14 H11 Cl N6 O S3 1 15771 1 14003 19679 14285 8695 10374 17635 13858 23648 14095 18721 16218 17791 16338 13569 15032 1 17010 18947 11015 20242 18842 16501 18196 13949 15148 11836 13235 13276 19963 20573 19889 22903 22035 17651 1 22531 21359 18140 19723 15814 17189 21548 15842 20613 18976 17452 17747 21921 16907 17193 16172 16754 14361 18501 20049 20399 21100 23954 19450 23522 24401 18827 18354 15565 10152 14516 14779 16975 15466 16982 18126 18937 13055 16115 18209 18322 18730 1 16047 22316 20607 16849 18059 21831 20729 19628 18586 409.9841 *409.9842* 409.9842@0.9060064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.9842 *410.1311* 410.1311@0.90680695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2302 2107 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 2012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1311 *410.1716* ROTENONIC ACID, METHYL ETHER 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6214 1 1 6248 1 1 7422 7104 2900 1 6117 1 6496 1 3196 6689 6059 7570 7118 7387 7020 2697 7575 6823 7015 7375 6610 7662 7189 6674 3848 2758 3231 6944 4374 7145 6336 1 1 1 1 1 1 1 1 1 1 5732 1 1 1 1 1 1 1 1 1 1 5752 1 1 1 6570 1 1 1 1 1 5723 410.1716 *410.9556* 410.9556@4.075012 18683 19309 1 1 1 1 1 1 1 1 8409 8456 1 1 1 1 1 1 1 1 13205 13881 8832 8126 7539 5298 1 1 1 1 1 1 1 1 3189 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13584 14243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.9556 *410.9852* 410.9852@0.83200103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.9852 *411.0414* 411.0414@5.5789866 1 1 1 1 1 1 3821 3284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.0414 *411.1117* 411.1117@5.493712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2433 2283 411.1117 *411.1165* 411.1165@0.907555 1 1 1 1 1 1 2868 2750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.1165 *411.1662* 411.1662@10.6328335 1 1 1 1 1 1 1 1 3406 1 1 1 1 1 1 3549 3978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4083 3712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.1662 *411.1849* 411.1849@3.1619153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 1996 1 1 1 1 1 1 1 1 1 1 411.1849 *411.7378* 411.7378@0.8449693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.7378 *411.9835* 411.9835@0.8514049 1 11152 1 1 1 1 3267 3340 1 4708 1 6299 1 1 1 1 3201 1 2814 1 1 4101 6046 1 1 1 4821 1 1 1 5241 1 1 1 1 1 1 4491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9835 *411.9844* 411.9844@0.8548693 1 1 1 1 1 3650 1 1 1 4681 1 6141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4962 1 4029 1 4454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.9844 *412.036* 412.036@0.8073249 1 1 1 1 1 1 1 3293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3507 1 1 1 1 1 1 1 1 1 1 1 412.036 *412.0409* 412.0409@0.88196653 1 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4009 1 1 1 1 1 1 1 1 1 1 412.0409 *412.0428* C13 H20 N2 O7 S3 3528 11077 6268 1 9194 12775 17376 1 1 1 2175 12955 11223 1 11512 11607 1 1 10982 11318 1 1 12274 11064 1 11472 11446 10811 9039 2767 12295 12950 11188 10628 11142 11795 1 10027 13845 1 5321 10221 10948 1 11104 10012 1 1 12758 9077 1 12399 10192 11774 1 10543 16180 16121 10166 1 4377 10514 1 1 11277 1 1 1 1 1 1 1 9708 1 1 1 12864 13110 19351 18570 11702 1 13241 13147 17301 19256 17067 13376 11172 11376 412.0428 *412.0448* 412.0448@0.93045014 1 1 1 10693 1 1 1 16576 8278 12715 4133 1 1 9328 1 1 11054 9826 1 1 10826 10750 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 9498 1 1 12429 4088 1 1 11168 1 1 1 10401 1 1 11875 1 1 1 1 1 1 1 1 9319 1 1 5610 8007 1 11264 7941 10442 7801 10792 12848 13473 1 10262 11222 11834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.0448 *412.0589* 412.0589@0.9130314 1 1 3165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.0589 *412.086* 412.086@4.936455 21535 22152 1 1 1 1 1 1 1 1 18336 19054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35031 36070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5702 5795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65520 65431 1 1 412.086 *412.1055* 412.1055@0.9006152 1 1 1 1 2656 2345 5301 3278 1 1 1915 2177 1 2977 1 1 1 1 3400 3415 1 1 1 4755 1 5088 1 1 4162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1055 *412.1345* 412.1345@0.9830014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1345 *412.1346* 412.1346@5.450153 1 1 1 1 1 1 1 1 1 1 1 1 44507 45516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1346 *412.2059* 412.2059@9.149228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3553 3327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2059 *412.2945* 412.2945@14.500164 1 1 1 1 1 1 1 1 1 3696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2945 *412.3517* 412.3517@14.322239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4173 3704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.3517 *412.3534* 412.3534@14.105601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3808 1571 3046 1 4948 3719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5288 1 1 1 1 7120 7400 1 1 1 1 1 1 1 1 3847 3826 1 3952 1 1 1 1 1 1 3660 1 1 1 1 1 1 1 1 1 1 1 5922 1 412.3534 *412.3561* 412.3561@14.21965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2458 5549 3273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4755 1 1 1 1 1 4188 5791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5140 412.3561 *412.3601* 412.3601@14.15937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.3601 *412.3884* 412.3884@13.604089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7615 6831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.3884 *413.2179* 413.2179@13.73034 1 1 1 1 1 1 1 1 4912 4971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2179 *413.8111* C5 H9 Cl3 O5 S5 1 2809 6612 11133 7077 1 6439 3381 3123 1 1 1 3352 3267 3377 5588 3600 3570 7764 3383 3535 3413 6047 11649 3651 3500 3232 3256 1 3113 1 12361 3032 3377 1 1 16308 3187 3149 1 3277 9157 3406 6291 3494 3526 3260 5221 3762 3474 6259 3579 3729 3396 8325 3899 3293 3181 3114 6085 7820 7200 1 1 3132 3580 6468 7360 3813 6742 5769 3112 6033 3314 3797 1 7892 3693 3584 3211 3784 4053 1 3642 3892 3356 8591 3378 3792 3454 413.8111 *413.9895* 413.9895@0.80312854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1 1 1295 1 1 1 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1 1 1 1 1 1 1 1 1 1737 1 1 413.9895 *413.9925* 413.9925@0.80346286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 413.9925 *414.0659* 414.0659@5.2474933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10240 12293 1 1 1 1 414.0659 *414.1685* 414.1685@5.681813 1 1 1 1 1 1 1 1 1 1 1 1 2883 2933 1 1 1 1 1 1 1 1 8587 8190 1 1 1 1 1 1 1 1 8134 8274 3544 3207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3983 4173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1685 *414.1851* 414.1851@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1851 *414.2046* Met His Lys 1 1 1 1 1 1 1 1 1 1 3739 3655 1 1 1 1 1 1 1 1 3031 3622 5013 4930 1 1 3297 3335 7358 7370 1 1 13029 13186 1 1 7669 8110 1 1 5313 5443 6677 6669 1 1 1 1 1 1 3691 4088 4194 4570 3307 1 1 1 4802 4580 1 1 1 1 1 1 1 2488 4077 3542 4480 3954 1 1 1 1 1 1 6017 5470 5370 5530 6953 7004 4386 4429 3805 3684 1 1 414.2046 *414.2238* methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate 3596 3818 4704 4894 5138 4560 5945 5994 4902 4455 5698 6515 5368 5258 6219 6363 5319 5099 5608 5727 7451 7141 7062 7388 6618 6932 5514 5206 7065 7782 7617 7737 8286 8081 7267 7741 8388 8576 7891 7940 8620 8510 8531 7526 7333 7553 8629 8189 8895 8525 9558 8869 7353 7904 8353 7906 8192 7739 8084 7499 8824 8183 5529 4434 9446 9400 8176 8847 9158 8853 8471 8851 8288 8137 8867 8895 8568 9132 7474 8141 8076 7319 8271 8206 9660 8854 9088 8043 8356 8798 414.2238 *414.2274* Pro Trp Ile 1 1 3392 3019 1 1 3264 3712 1 1 1 3812 1 1 1 3953 3909 3968 3471 4245 4486 4234 1 4229 4699 4534 4719 4892 4231 3099 4992 4851 4735 5505 5336 5355 5461 5357 5069 5380 5887 6195 6085 6420 5253 6373 6533 6238 6358 6338 6292 6505 5766 5510 5945 5790 6153 5904 5069 4978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2274 *414.2764* 414.2764@12.873466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 2425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2764 *414.332* 414.332@12.952446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4640 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.332 *415.06* 415.06@5.165547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8532 5593 1 1 1 1 415.06 *415.0601* 415.0601@5.124074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3343 4408 1 1 1 1 415.0601 *415.327* 415.327@12.886935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3396 3424 1 1 3142 4003 1 3126 1 1 3086 3200 3321 3512 1 2798 3690 3159 1 1 1 3511 3426 1 3323 3416 1 1 3441 1 1 3721 3916 3490 1 1 4169 3500 1 3069 4132 3537 3715 3728 3757 3435 1 4030 4037 3841 3861 3687 4465 4005 3781 3954 4232 4267 415.327 *415.8091* C8 H Cl N2 O6 S5 3215 5759 3754 6784 6243 3382 1 6882 5566 9410 2800 9997 5855 4202 6431 4244 6718 4285 3991 4354 5306 10845 3959 3949 4000 11626 8754 3948 12026 9925 9178 3662 7432 4055 3803 3667 4096 5922 3476 3299 3811 3933 3892 4350 4246 6988 3855 4244 4208 8262 1 4102 4335 4414 4493 10106 5527 7763 6898 3967 3281 3315 5872 3492 4044 4142 4517 4383 8242 5054 11924 8325 6490 4381 4200 7267 4442 7039 4207 6485 7980 4748 4118 4379 4323 4444 16525 3900 4312 4460 415.8091 *415.9924* 415.9924@0.8741679 1 1 1 1 1 1 1 1 1 25077 18777 1 1 18004 1 1 17690 1 1 1 1 1 1 1 17089 1 17204 1 1 24015 16407 1 16010 1 1 18959 1 1 1 1 26986 1 15177 1 18278 1 1 1 1 19098 1 1 1 15344 1 14975 1 14531 1 1 1 1 26230 1 16583 1 1 1 24791 1 1 1 1 1 14054 1 22633 1 1 1 21429 1 17318 25710 1 1 15778 1 17527 1 415.9924 *415.9937* C12 H17 Cl N2 O6 S3 70120 69868 61885 62021 62176 55280 52420 45737 43799 34003 41550 58873 48565 33900 53187 53489 38489 40058 55627 55074 55065 61866 45336 61127 40871 51707 39077 60073 56001 38886 40070 64733 37325 59445 54854 37604 62237 24294 59590 39640 32162 53644 43040 57853 41237 49630 52913 56201 53805 40162 51749 58320 48252 31731 49700 40930 50923 32291 51583 57842 54094 61928 37063 62284 40352 56252 53913 54664 28522 34179 62709 48357 57877 55220 41482 36522 35674 52598 46925 54881 34903 33490 50014 36148 55284 54464 36068 35420 40278 58489 415.9937 *416.0766* 416.0766@5.3177557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5540 5235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.0766 *416.1048* 416.1048@8.297289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.1048 *416.1178* 416.1178@2.841506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 1 1 1 1 1 1 1 416.1178 *416.1414* 416.1414@2.8946612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 2753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.1414 *416.2029* 416.2029@6.7859926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2029 *416.2132* Arg Asn Gln 7569 8222 5237 5366 10644 10994 5976 6333 1 1 4775 4994 6050 5751 1 1 1 2482 5865 6291 8507 9434 3867 3484 1 1 2740 2502 7586 4715 8864 8799 6260 6014 1 1 8760 8112 11676 9778 2388 2377 3758 4172 6879 6820 5961 5774 1 1 9301 8892 1 1 1 1 5727 6037 5799 5325 1 1 1 1 3563 3416 2722 1 1 1 1 1 1 1 2558 2513 3164 2744 5457 4999 1 1 1 1 5813 5277 1 1 8202 9529 416.2132 *416.2509* 416.2509@13.278575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4944 4819 416.2509 *416.2532* 416.2532@12.044846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3712 4111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.2532 *416.3254* 416.3254@12.603989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4135 1 416.3254 *416.9963* 416.9963@0.8259913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.9963 *417.1528* 417.1528@5.084337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6566 6999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.1528 *417.1532* 417.1532@5.158873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 2438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.1532 *417.8127* 417.8127@0.84468204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5213 9787 1 1 1 1 1 1 7048 1 1 1 1 1 2945 1 1 1 1 1 1 1 1 1 417.8127 *417.9363* 417.9363@0.77858716 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1674 1 1 1 1 1 1 1 1 1 1 2199 1 1 1 1 1 1 1 1 1 2262 1 1 1877 1 1 1 1 2194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1847 417.9363 *417.9918* 417.9918@0.8714226 1 1 1 1 1 7509 1 5880 1 1 1 1 6360 7004 6258 6045 1 1 1 1 7270 1 1 1 1 1 5971 1 5933 1 1 1 6091 1 6508 5543 1 14920 1 5497 1 6572 1 1 1 7207 6113 1 6387 1 6575 1 1 5996 5834 1 1 5821 5888 1 6633 1 1 1 1 1 1 1 1 1 1 4341 1 1 1 4030 1 5756 5615 1 1 6014 6765 1 1 1 5837 5989 1 1 417.9918 *418.0794* 418.0794@3.162852 2389 1770 1 1 1 1 1 1 1 1 1 1 2609 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 3684 1 1 1 1 1 1 1 1 1 1 6288 6371 1 1 1 1 1 1 2931 3336 1 1 1 1 1 1 1 1 1 1 1 1 3648 3445 1 1 1 1 1 1 3923 3524 418.0794 *418.0874* 418.0874@1.1840084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 2303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0874 *418.1179* 418.1179@6.024932 1 1 3585 2843 1 1 1 1 1 1 1 1 1 1 3147 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.1179 *418.1877* 418.1877@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.1877 *418.2004* 418.2004@9.586028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2004 *418.2011* 418.2011@9.569474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7590 1 1 1 4696 1 7187 7162 3757 1 1 1 6012 1 6872 7258 7317 6976 7092 7697 4773 6932 1 6712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2011 *418.2189* 418.2189@7.5839915 1 1 1 1 1 1 3079 3821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2189 *418.228* C23 H34 N2 O3 S 8904 8164 7188 7124 13797 13865 8355 8829 1 1 5776 5736 7113 6841 1 1 1 1 7827 7952 11320 10816 1 1 1 1 2727 1 9863 8936 14021 14004 9026 8458 1 1 9688 9155 14573 13475 1 1 6440 7053 7641 7819 7390 6788 1 1 11592 12080 1 1 1 1 6714 5722 6901 6534 1 1 1 1 4975 4269 1 1 1 1 1 1 1 2886 1 1 3457 3706 6628 6223 2374 1 1 1 4639 4921 1 1 11553 11271 418.228 *418.3054* 418.3054@12.67608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4501 4563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2903 1 1 1 1 1 418.3054 *419.1896* 419.1896@7.0671005 1 1 1 1 1 1 1 1 1 1 1 1 3263 3497 1 1 1 1 1 1 1 1 4213 4624 1 1 1 1 1 1 1 1 3822 3718 3545 3806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.1896 *419.1925* 419.1925@3.7800875 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.1925 *419.9001* C15 H4 N2 O5 S4 38914 37587 47429 46942 52446 53299 51180 52327 54731 55601 51165 48560 54701 58513 58409 58269 53187 54642 62267 58302 52263 52012 58742 58368 51083 50840 53437 54508 49501 48542 60671 59949 56079 57951 54132 53337 52915 52538 59338 59686 54801 56509 58025 55263 54612 53789 60658 60842 59027 58160 61147 62308 55522 59071 57722 58179 69662 67844 57166 57950 45465 46654 46375 45710 61795 61070 65230 64344 65403 63504 60503 60309 57022 55399 63513 63229 60770 60024 62038 60434 59493 58196 49880 48426 59734 62906 58456 60513 53854 53947 419.9001 *420.005* C12 H12 N4 O9 S2 13738 12790 1 9625 10505 9637 6799 6893 8925 8629 12072 12150 8198 9626 10198 9943 8928 8531 7559 8175 10795 10109 10188 10850 9525 9625 11078 11138 12311 11900 10022 1 10880 11710 11189 12199 11247 9851 12156 11859 10034 9900 10965 10291 10462 9892 11318 10485 10320 9662 10268 9629 7498 8004 9179 8558 8470 8428 9322 9356 12795 13337 11190 10936 9191 9365 9279 9010 7552 7499 1 9383 10283 9735 10518 11274 11282 11936 10036 10065 9917 10346 1 12289 8831 9121 12271 12263 10609 10127 420.005 *420.0938* 420.0938@5.2114067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11256 11200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.0938 *420.1582* 420.1582@4.3730984 1 1 1 1 1 1 1 1 1 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.1582 *420.2488* 420.2488@10.770954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 1 1 1 1 1 1 1 1 1 1 1 5756 6119 8894 8815 1 1 1 1 1 1 5387 6936 1 1 5217 2806 1 1 1 1 1 1 1 1 8285 12438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2488 *421.0565* 421.0565@8.288301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.0565 *421.084* C20 H23 N O3 S3 4200 4279 1 1 4983 5172 7766 8045 5167 5064 5552 6131 3768 4192 3745 3529 4086 3764 5885 5901 4091 4404 3682 3408 5373 5823 3566 3580 3602 3736 3726 3421 5189 5752 4878 4683 2136 2599 2134 2094 1 1 2269 1948 5112 5773 1 1 2582 2411 6431 6081 1 1 2386 2798 4907 5272 1 1 1 1 1 1 2989 3010 4351 4735 1 1 3747 3553 1314 1 1 1 1 5108 5034 5149 1482 1467 1 1 5895 5243 6286 6802 1 1 421.084 *421.1903* 421.1903@5.409134 1 1 1 1 1 1 1 1 1 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.1903 *421.2413* 421.2413@14.1366625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4621 3559 1 1 1 1 1 1 1 1 1 1 2911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.2413 *421.7578* 421.7578@0.847042 1 1 1 1 1 1 2396 1 1 1 1 1 2631 2514 1 1 2557 2673 2547 1 1 1 1 1 2601 1 1 2587 1 1 1 1 2590 1 2390 1 1 1 2778 1 1 1 1 1 2633 2553 2332 1 1 2373 1 1 1 1 1 2608 1 2580 2701 2750 1 1 2552 1 1 1 1 1 1 2782 2551 1 1 1 2685 2920 1 2749 2740 3002 2823 1 1 2803 2787 1 2794 2902 2677 1 421.7578 *422.0648* 422.0648@6.641306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29422 28575 1 1 1 1 1 1 422.0648 *422.0963* 422.0963@3.6680772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1643 1 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 2295 1 1407 1 1 2430 1976 1970 1861 1 1 422.0963 *422.12* 422.12@5.3647227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2599 2781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.12 *422.1201* 422.1201@1.1777399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5923 5166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9819 9240 422.1201 *422.1588* 422.1588@7.902423 1 1 1 1 1 1 6622 6757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20961 19555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.1588 *422.1915* 422.1915@6.7584524 1 1 1 1 4814 5095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 5030 1 1 2598 3234 1 1 3674 4054 2805 2650 1 1 1 1 1 1 1 1 3268 3182 1 1 1 1 1 1 2905 2890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.1915 *422.3027* 422.3027@14.643556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5017 1 1 1 1 1 1 1 6570 1 1 1 1 1 1 1 1 1 1 1 1 4533 5804 1 5341 1 1 1 1 1 5677 1 1 5144 1 1 1 1 1 1 422.3027 *422.3066* 422.3066@13.59507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4023 4663 1 1 1 1 1 1 1 1 1 1 1 1 1 4963 1 422.3066 *422.3151* 422.3151@13.565337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4991 3333 5142 3377 3898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5163 5586 1 1 1 7823 422.3151 *422.3237* 422.3237@13.47122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5165 3337 1 1 1 1 1 1 7756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5049 1 1 1 1 422.3237 *422.3271* 422.3271@13.483207 1 1 1 1 1 8771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6950 1 1 1 1 1 1 1 8657 11129 1 5011 1 1 1 1 1 1 6750 8131 1 1 6602 9793 1 1 1 1 1 4306 1 1 1 1 1 1 11338 10238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.3271 *423.7543* 423.7543@0.84392613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.7543 *423.8401* 423.8401@0.8239702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.8401 *423.841* C9 H7 Cl3 N2 O3 S4 3937 7393 4860 4799 7481 4233 5199 5388 4401 4325 3436 5592 4613 4833 4756 4580 5734 4929 5897 1 5751 4549 4854 4835 4783 1 4636 6045 4542 3993 4314 4676 4534 4474 4267 4406 4941 6284 4443 4076 4571 4794 4777 4521 7558 4948 4711 4629 5248 5444 7543 4679 7486 4871 5204 5001 4439 4861 4502 4753 6118 12829 4149 4247 6367 4370 5288 5585 5544 3524 4979 5057 5466 1 5139 4679 5476 5520 6755 6650 5246 5141 4531 4601 5416 1 4385 6190 1 4893 423.841 *423.8944* C18 H4 N2 O S5 1 1 1 1 1 2009 1 2108 2028 1 1821 1 2016 1 2052 2251 1 2180 1 2194 1959 1875 2038 2072 1948 1 1826 1 1 1856 2229 2480 1889 2350 1 1749 1 1877 1929 2503 2047 1 1 1902 2077 2001 2272 1 2379 2630 3038 2448 1888 1 2165 1894 1 3323 2680 2243 1 1779 1 1 2593 2318 1 2263 1 2272 2314 2215 1 1854 2113 2415 2374 2287 1 1885 1 1 2056 2287 2596 1 2458 2242 1 1 423.8944 *423.9805* C10 H16 O12 S3 16670 17199 12556 12527 19412 18854 23479 23369 17758 17045 20666 19779 15223 16099 17425 17256 17334 18186 19297 19953 17693 18533 16528 16148 20560 21121 17805 17824 16723 15825 18622 20393 22943 24381 21411 22128 18818 19276 18864 19269 14952 14250 18539 18250 25192 25349 2233 2524 19284 19333 27242 26660 8885 9476 21045 20503 26434 26919 11234 10625 1 1 11178 10945 21780 21309 25005 24975 18857 18683 23410 23664 17666 17105 16279 16801 24841 24787 24176 25319 18461 18513 14269 14749 26582 23633 27036 28143 9975 9563 423.9805 *424.074* 424.074@5.0222144 1 1 1 1 1 1 16369 16243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.074 *424.0985* 424.0985@3.163972 1 1 1 1 1 1 1 1 1 1 1 1 1898 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3024 3379 1 1 1 1 1 1 1 1 1 1 3120 3790 1 1 1 1 1 1 1976 2436 1 1 1 1 1 1 1 1 1 1 1 1 2244 2343 1 1 1 1 1 1 3576 3214 424.0985 *424.1136* 424.1136@2.8681204 2540 2627 1 1 1 1 10370 10470 1 1 1 1 3634 3333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4668 4864 424.1136 *424.1346* 424.1346@6.5029583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15929 14559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1346 *424.1866* DIHYDROMUNDULETONE 1 1 1 1 1 1 3641 1 1 4088 5377 3452 1 1 1 1 1 1 4359 4674 3663 4969 1 1 4711 6012 6213 5597 4563 2874 1 1 1 5190 4989 1 4723 1 2727 5044 5751 5108 4943 5435 5065 5425 4791 5356 4727 5455 4460 4978 1 4591 5612 1 5186 6442 4738 5525 5913 4669 1 5158 1 4351 4266 4161 1 4635 4670 1 1 1 1 4474 4250 3242 4835 5495 4798 4960 4823 5019 4805 6472 1 4801 3609 3699 424.1866 *424.1867* Arg Cys Phe 1 1 10666 1 1 14797 10484 4807 1 1 5088 11702 3542 14581 15247 1 11189 10978 8803 4784 16816 17704 1 1 12879 11263 7169 1 1 4910 12935 16704 1 13550 14183 13777 13851 17598 1 22076 8635 1 1 21919 14519 21270 8704 10882 1 20750 12756 1 19772 1 1 14906 16675 1 1 1 11284 10976 4525 17120 16598 1 1 1 1 1 12639 6341 1 1 16460 1 1 13957 5369 1 1 13148 1 8289 1 6382 8721 17753 5664 12674 424.1867 *424.1873* Arg Cys Phe - 10.132811 12686 10324 3909 13261 14754 1 3242 9109 13101 8099 3035 3066 8389 1 1 14732 1 4834 7978 8329 1 1 1 4272 4321 6073 11536 19555 16643 4578 6090 1 17660 6571 1 1 5211 1 19871 1 12423 21327 20412 1 6671 1 9820 5800 20224 1 7791 19667 1 19114 21166 5586 4540 23017 9748 17799 4017 5302 12838 1 1 16888 13912 11853 16865 17618 4228 8402 1 13457 1 17372 5060 1 12304 18187 18960 6478 17809 5837 12496 5102 8187 1 12801 5231 424.1873 *424.188* 424.188@10.327442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4762 1 1 1 1 424.188 *424.3457* 424.3457@14.22032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4742 4777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.3457 *425.1107* 425.1107@2.8681011 14447 14912 1 1 1 1 46041 47149 1 1 1 1 18235 18797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5977 6008 1 1 1 1 1 1 1 1 1 1 9981 10530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6329 5960 1 1 1 1 1 1 25318 25755 425.1107 *425.2019* 425.2019@3.9006548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.2019 *425.2021* Leu Tyr Met 4043 4014 3731 4169 3041 3052 1 2097 4850 4244 2422 1 4347 4777 4239 3931 3633 3893 3782 3303 3455 2722 1 1 3629 4075 2743 3367 1 2356 4231 4211 3271 3583 3743 2980 7435 7250 4275 4671 4867 5018 4836 4671 3053 3220 4751 4557 4044 3734 5241 4795 6771 5694 5784 5978 3737 3078 1 1 3134 3178 2864 1 7922 8371 4341 4252 2647 2601 4596 4551 1 1 1 1 3811 3498 1 1 4012 3934 2631 2969 4069 4382 3130 3298 6000 5851 425.2021 *425.8374* C16 H Cl3 O4 S2 3511 3623 4821 4957 8400 3903 5823 8506 3855 4265 3316 1 7109 3995 4280 7736 7550 4799 4587 4365 4645 4727 4420 4814 8540 4585 1 4382 4539 3941 6835 3835 4520 4229 2573 4060 7907 5101 4000 3968 4372 7931 4190 4483 4696 4910 1 1 8474 4660 4671 4454 4673 1 7839 4887 1 4230 4099 1 3894 1 3791 3770 4220 8907 5131 5288 5086 5067 2361 4453 4521 1 4695 8777 5389 5203 1 4395 1 7677 7284 1 4818 4279 4218 1 4588 3253 425.8374 *425.9159* 425.9159@0.7964366 1 1 1 1 1 1 1 1 1 1 1 1 1 2194 3191 1 2847 2286 1 2146 1 1980 2341 1 1 1 1 1 1 1 1 1 1 2436 1 1 2337 1 1 1 1 2534 1 1 1 1 1 1 1 1 1 1 1 1 2263 2502 1 1 2393 1 1 1 1 1 2025 1 1 1 2501 1 1 1 1 1 1 1 1 1 1 1 2379 1 1 1 1 1 1 1 1 1 425.9159 *426.0163* 426.0163@0.8757896 1 1 4820 1 5995 5254 1 1 4806 1 5279 1 1 4237 1 1 4783 1 1 1 5936 1 5833 5060 1 4645 1 1 1 3180 1 1 1 1 1 5650 5061 1 1 5024 4294 1 1 1 1 1 4953 4765 1 1 1 1 1 4265 1 1 2521 1 4363 1 1 5302 1 4874 3323 1 1 1 1 1 4397 1 1 1 1 1 1 1 1 5377 4015 1 1 1 4458 1 5170 4284 1 1 426.0163 *426.0205* 426.0205@0.88027024 1 1 1 1 1 1 4079 1 1 1 1 1 1 1 1 1 1 4185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5274 1 1 1 1 1 1 1 1 1 1 1 1 426.0205 *426.0219* C12 H14 N2 O13 S 27625 28930 17928 17795 17370 16786 11519 12104 13966 15769 21338 23065 16848 14748 15890 18559 13798 14344 13828 13336 17749 18762 16598 16432 18747 17174 17495 20381 21347 19795 15380 15317 17687 18854 16568 17229 18751 17428 19129 18304 15954 15118 17812 17422 15170 17958 15941 15353 14984 15220 14512 14261 14125 13473 15334 15699 11928 12800 15345 16508 20872 21498 20144 21362 16157 15469 14695 13909 12550 12791 14191 15120 17944 17584 15987 15669 18315 18355 14542 14429 15270 16297 19991 19674 15651 14880 16556 17005 17267 18359 426.0219 *426.0256* 426.0256@0.88532734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 5834 1 1 1 1 1 1 4563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.0256 *426.0672* 426.0672@4.256561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3478 3179 1 1 1 1 426.0672 *426.0802* 426.0802@0.9384793 1 2270 1 1 1 1 1 1 1 1 1 1 3044 1 1 1 1 1 1 1 1 1 1 1 4110 3361 1 1 4971 5874 1 1 1 1 1 1 1 1 1 1 1 5508 1 1 3503 3730 1 1 1 1 2724 1 1 1 1 1 1 1 1 1 1 1 2623 3497 3226 5813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 4364 1 1 1 1 1 1 1 1 426.0802 *426.0938* 426.0938@2.8659186 1 1 1 1 1 1 12446 12428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.0938 *426.1468* 426.1468@0.9862343 1 1 1 1 1 1 1 1 1 1 1 1 2494 2494 1 1 1 1 1 1 3297 3322 2581 2603 4560 4976 1 1 3426 3262 1 1 1 1 1 1 1 1 1 1 4061 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1468 *426.1497* 426.1497@0.98874825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4797 6550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1497 *426.1864* 426.1864@8.019212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5187 5197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1864 *426.1868* 426.1868@8.37727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104219 98778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1868 *426.1876* 426.1876@8.318844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374035 328246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1876 *426.1881* 426.1881@8.222963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863386 864963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1881 *426.3111* 426.3111@14.706629 1 1 26360 25104 1 1 28715 30597 91319 91404 1 1 24958 25380 53286 54024 1 1 18916 19192 1 1 1 1 1 1 4627 5087 1 1 1 1 22498 22502 1 1 34807 32242 15202 15586 1 1 1 1 1 1 1 1 1 1 3886 1 1 1 25492 26633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3111 *426.3219* 426.3219@14.705083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4860 4912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3219 *426.3684* Hexacosanedioic acid 4337 4726 4489 4473 10160 11099 4676 4826 12037 10908 14045 13774 1 1 5495 5986 1 1 7540 8088 7833 7284 8383 7791 4793 1 5863 6178 20997 19936 15968 15665 14588 14394 1 1 21987 20351 9429 9543 13378 13898 1 4085 11460 11423 6410 6680 8336 9754 22137 22155 1 4056 8350 8968 29347 30538 10904 11037 8827 9145 3903 4033 17971 16585 15532 16509 14772 13840 3494 3739 12672 12864 10022 9189 16222 15561 11155 10450 7547 7329 8123 8311 7666 8759 3641 3800 10241 10170 426.3684 *426.3694* 426.3694@14.759532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4671 1 1 1 1 1 1 1 1 4336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3694 *427.0748* 427.0748@3.406429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6623 6332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7282 7276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.0748 *427.8456* 427.8456@0.825455 1 1 1 1 1 1 2709 2314 1 1 1 1 1 1 1 1 1 1 4428 2807 1 1 1 1 1 1 1 1 1 1 1 2408 1 1 1 1 1 1 1 1 1 2431 1 1 2505 1 1 1 1 2506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.8456 *427.9465* 427.9465@0.82632136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40663 1 1 1 1 1 1 1 1 427.9465 *427.9701* 427.9701@4.8460517 1 1 1958 1 1 1 7090 7366 1 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 2601 1 1 1 1 1 1 3375 1 1 1 2009 1 1 1 1 1 1 1 3832 4139 1 1 1 1 4179 4402 1 1 1 1 2972 2832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3153 3083 1 1 427.9701 *428.1301* 428.1301@3.6377196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7072 7658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1301 *428.1309* 428.1309@3.5947375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6020 5725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1309 *428.1453* 428.1453@3.1962347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15850 16463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1453 *428.1986* 428.1986@8.339406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1986 *428.2013* 428.2013@7.8798766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3096 2959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2013 *428.2025* 428.2025@7.9452996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5541 5935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2025 *428.2237* 428.2237@4.5698013 1 1 1 1 1 1 1 1 1 1 1 1 26678 27323 1 1 9681 9269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2237 *428.2899* 428.2899@12.578599 1 1 4449 4519 1 1 1 1 3440 3485 1 1 1 1 3883 3825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4835 4326 1 1 5064 5708 1 1 1 1 1 1 1 1 6315 5661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2899 *428.2903* 428.2903@13.599843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13080 1 1 3391 5699 1 1 9149 1 6759 6882 1 1 1 1 1 1 1 1 1 1 11316 11383 1 1 9053 9564 7805 7537 1 1 1 1 1 1 1 1 3091 1 1 1 1 1 1 1 1 1 1 1 3605 4339 1 1 1 1 1 1 1 1 4999 5657 428.2903 *429.0949* 429.0949@7.032552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5143 5141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.0949 *429.2125* 429.2125@10.864223 1 1 4175 4651 1 1 3752 3839 4970 4867 2585 1 4293 4111 5021 5147 1 1 1 1 1 1 1 1 1 1 1 1 3552 3908 1 1 1 1 1 1 4430 4666 1 1 1 1 1 1 1 1 1 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.2125 *429.7929* 429.7929@0.8473937 1 2312 1 1 1 1 1 2814 1 1 1 1 1 1 1 1 2479 1 1 1 1 1 1 1 1 2683 1 1 1 1 1 2707 1 5472 1 1 2397 1 1 1 1 1 1 1 1 2764 1 1 1 2734 1 1 1 7176 1 1 1 1 1 3294 1 1 4217 7520 1 1 1 1 2750 6282 2657 1 3133 6724 5343 2705 8025 2924 1 1 8417 1 5132 1 1 4619 6011 1 1 1 429.7929 *429.9971* 429.9971@4.0548067 1 1 1 1 1 1 2495 2760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.9971 *430.0844* 430.0844@0.8987825 1 1 3370 1705 1 1 5192 4543 1 1 1 1 1 1 3874 1 1 1 2135 1 3831 4027 3560 4030 4354 4473 3716 2332 2807 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.0844 *430.1556* C22 H26 N2 O5 S 37149 32954 37900 35971 36522 35228 36458 37289 37400 34975 33533 34461 33968 34774 33600 32740 29137 28041 30028 26437 24477 25512 27646 28381 27435 26842 25173 21100 25082 20654 21935 22103 21553 20569 21680 22602 18420 17878 16756 15972 17642 17489 16808 17113 17542 17499 9106 7028 12024 14546 12053 11668 17574 17554 17715 16553 2950 14744 4068 3980 14644 13562 14088 13028 10267 8765 12222 11866 10116 10324 12030 12246 11968 12702 13172 2922 11823 11206 13618 12862 12136 11687 4238 12052 7138 5847 10816 10445 4824 3868 430.1556 *430.1557* 430.1557@8.982371 1 1 1 1 1 1 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10079 1 1 1 1 1 1 7919 1 1 1 1 1 1 1 430.1557 *430.1594* C19 H22 N6 O6 12614 12634 29429 29170 13139 13623 10043 10327 22204 23735 24882 24408 16409 17196 33311 32952 15849 14844 26525 27518 20226 20520 32008 31842 26622 26391 30609 31082 25077 25404 25309 25210 10165 10136 13100 13583 23641 23981 18574 18879 28545 28280 40710 42894 21505 21192 37879 37127 44501 43569 24077 23471 30902 31980 42905 42482 32734 34902 48481 48970 63865 65366 30688 30876 20907 20060 33920 33875 43804 43768 55166 55462 45486 45367 43337 43799 52586 51979 36888 37293 45983 47337 58933 57908 35467 36268 49272 48562 23030 24101 430.1594 *430.165* 430.165@4.7240176 1 1 1 1 1 1 1 1 1 1 2600 2983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.165 *430.181* 430.181@6.5363364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.181 *430.1819* 430.1819@7.2325916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4677 4253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.1819 *430.3054* 430.3054@10.712716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6044 6400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.3054 *431.018* 431.018@3.1254926 1 1 1 1 1 1 7265 8331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.018 *431.0206* 431.0206@4.928958 2635 2779 1 1 1 1 1 1 1 1 2937 2975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3748 4047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5524 5041 1 1 431.0206 *431.0547* 431.0547@5.274975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7392 7839 1 1 1 1 431.0547 *431.0549* 431.0549@5.223509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3341 3000 1 1 1 1 431.0549 *431.7869* C10 H2 Cl2 O5 S5 2834 2718 3171 3252 1 3149 1 3349 2974 10348 2782 2977 4604 3424 3320 8266 6337 4825 3382 3163 3266 3659 3557 3260 3557 3618 3309 3403 8503 3286 5802 3394 3203 3646 6102 3222 4987 5316 3116 3079 3394 3062 5892 3443 3636 3548 3286 3515 3285 5343 3036 3131 3297 3509 3571 3812 6777 5670 5667 5315 4539 3381 3406 3246 3492 6018 3593 3587 8041 6206 3476 3437 5409 3692 3375 6827 8954 8280 3677 7561 3928 3747 3258 3744 3780 7137 5349 3884 3746 3781 431.7869 *431.9663* 431.9663@0.8697919 1 1 1 1 1 1 6847 1 11715 1 12007 1 1 1 1 9084 1 10047 1 1 1 1 1 1 1 1 1 1 1 5545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8924 1 1 6331 1 10205 7633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6271 1 8327 1 1 6874 1 11226 1 1 1 1 1 1 7087 1 431.9663 *431.9671* C12 H12 N6 O2 S5 33101 34312 29150 21040 31244 24700 9918 22098 13598 22139 26743 34404 20888 21591 21824 14005 24699 12191 22724 18075 24011 20411 21369 24597 17967 24770 18709 21172 23122 19830 23618 19978 24818 24388 23560 28607 23814 22095 24069 22249 21967 17144 21858 22927 20653 18921 20987 21529 14018 17886 21170 17593 28267 9954 18270 20704 16130 18799 12956 18918 30260 30058 24737 28631 13214 13952 18544 14999 18189 17105 22201 26600 19608 20956 9474 11331 24395 20996 14847 10149 21893 10463 18178 27342 17004 15442 19289 22381 12171 21158 431.9671 *432.0556* 432.0556@4.0901785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1765 1968 1639 1637 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4391 4982 1 1 1 1 1 1 4999 4213 4435 4847 1 1 1 1 3217 2836 1 1 4012 3620 1 1 3199 2842 4079 3975 432.0556 *432.1438* 432.1438@6.7645597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7187 6695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.1438 *432.1883* C19 H20 N12 O 4445 4256 6140 5703 4330 4416 6725 6686 7655 7266 5628 6228 4767 4433 4027 4045 5424 5334 3654 3332 3460 3318 8401 7944 3925 4184 3591 3607 4680 5091 2851 2493 5821 5953 1 2381 1 1 1 1 6254 6553 1 1 1 2463 2329 1 4344 4393 8295 8099 5551 5652 4637 4507 1 2911 1 1 5420 5139 3442 3638 2696 1 7781 6903 1 1 4305 4037 4244 4282 6418 6449 1 1 4945 4893 1 1 4870 5170 3804 4448 4498 4557 5380 5650 432.1883 *432.1955* 432.1955@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.1955 *432.2163* 6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide - 10.308402 1 1 4004 1 1 4616 4335 4463 5214 4948 4991 4775 4837 1 5162 5401 1 1 4896 5545 5035 5068 4693 5172 5394 1 6138 6143 1 4155 6607 6121 5254 6049 6619 5697 1 6509 6031 6340 6507 1 6032 6679 6281 6144 7233 7356 6678 6047 6646 6790 6439 6215 6913 7737 7015 5881 6039 5642 4505 4877 4803 3324 1 5147 1 3771 3882 1 1 1 4270 1 4189 1 1 1 5983 1 4016 1 1 4298 1 1 1 5448 1 1 432.2163 *432.2165* 6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide - 10.120011 1 3915 9121 24175 1 25023 5470 1 1 1 7572 1 1 27626 1 27247 28834 1 29475 30599 1 24956 1 32883 31431 7601 6677 30358 1 4244 1 1 1 36817 1 1 36156 36753 1 35431 36701 37105 35817 35416 36822 1 37448 38447 1 1 39801 39025 36908 35098 1 1 1 1 21725 1 21070 19147 14499 17713 4415 23077 1 21255 20489 20779 21072 4613 20467 20368 1 14662 15595 5037 12188 20553 15278 7203 8101 1 5477 22663 21646 15314 21566 21652 432.2165 *432.2169* 432.2169@10.240214 4209 4150 1 1 4802 1 1 1 1 1 4615 1 1 4413 1 1 5669 4412 1 1 1 5095 1 1 1 6519 1 1 5043 5203 1 1 1 1 1 1 5752 1 1 1 1 7293 1 1 1 7955 1 1 1 1 1 1 1 1 7190 1 1 1 8641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5384 5319 1 1 1 1 1 1 7109 1 1 1 1 1 1 1 432.2169 *432.217* 6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide 21916 18154 13264 1 25086 1 20777 26509 24489 26142 16012 27180 27260 1 28120 1 1 29058 1 1 29584 1 31100 1 1 25696 25235 1 31985 18796 33152 33215 32191 1 34252 33269 1 1 35760 1 1 1 1 1 1 30322 1 1 34367 37742 1 1 1 1 31858 38647 38780 33692 1 25030 1 1 1 1 17904 1 17971 1 1 1 1 14013 1 1 13640 1 1 13936 1 1 1 12916 1 20879 16929 1 1 1 1 1 432.217 *432.3211* 432.3211@10.377801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15742 16192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3211 *432.3213* 432.3213@13.026419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4557 4817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3213 *432.3218* 432.3218@12.923996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6258 6940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 432.3218 *432.3417* 432.3417@13.461157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6790 1 10573 6220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9396 5736 1 1 1 1 1 1 1 1 1 1 9310 1 1 1 1 1 5562 11511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10994 16046 1 1 1 1 1 14582 5737 1 1 20095 432.3417 *433.1478* 433.1478@5.099335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4057 2401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.1478 *433.1498* 433.1498@5.136399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.1498 *433.2075* 433.2075@3.8220985 1 1 1 1 1 1 1 1 1 1 1 1 4889 4762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2075 *433.2183* 433.2183@10.137077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2183 *433.2207* 433.2207@10.077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2207 *433.8685* C12 H9 Cl3 O5 S3 1 4641 1 4030 4767 1 1 1 2639 1 1 1 1 1 2844 2890 1 2844 1 1 1 7663 3192 1 3432 1 2919 1 5749 3885 5771 7222 1 3413 2912 2622 1 6160 2585 4732 1 3184 6283 5749 1 1 1 1 1 1 3307 3039 1 1 1 3601 1 1 1 1 2382 1 5044 4593 2572 1 3193 6962 1 1 1 8367 3117 6637 3123 5596 1 6422 5352 2811 1 3299 1 3004 3142 7325 5258 1 3683 3418 433.8685 *433.8695* C10 H8 Cl2 N2 O5 S4 4907 1 6531 1 1 4844 5868 1 2338 5056 4436 4128 1 5623 2545 2650 5741 2879 6454 6037 2980 1 2821 5815 1 6196 2592 1 1 2307 1 1 1 1 2277 1 5970 1 2477 1 5832 1 1 1 5993 6196 1 5057 6449 6155 1 1 6093 6108 1 2869 5410 5661 1 6076 2164 1 1 1 1 5242 1 1 6624 6669 5597 1 1 1 2950 1 6395 1 1 2645 1 3049 5384 2232 2860 1 1 2928 1 2523 433.8695 *433.9154* C15 H2 N2 O10 S2 2794 2662 3688 3932 3727 4232 4684 4935 4333 4200 3563 3268 4279 3828 4041 4309 4327 3940 4337 4496 3568 3701 4146 4294 3484 3672 4105 4015 4081 3927 4010 4359 4160 4273 4302 4231 4110 4023 4636 4740 3813 4666 4222 4000 4135 4124 5076 4657 5192 4734 4099 4390 4068 4351 4097 4202 5133 5366 4069 4523 3894 4146 3565 3524 3799 4328 4476 4582 4204 4519 4625 4947 4496 4419 5154 4843 4364 4615 5099 4731 4545 4544 3649 4341 4583 4496 5314 5132 4232 4073 433.9154 *433.964* 433.964@0.86510915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 1 1 1 1 1 1 1 3331 1 1 1 1 3562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1 1 1 1 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 1 1 2764 1 1 1 1 1 1 1 1 1 1 1 1 1 2273 1 1 1 433.964 *433.9678* 433.9678@0.86124855 4316 1 1 1 1 1 1 2553 1 2300 1 1 1 1 3067 3270 2339 1 1 1 3219 2986 1 1 1 1 1 2529 1 3592 2278 3059 1 1 2651 3128 1 2714 1 3354 1994 2898 1 1 1 1 2098 2577 1 1 1 1 1 1 1970 1 1 1876 1 1 1 1 8207 1 1 2080 1 3840 1 1 2194 2195 1 1 4882 1 1 1 1 4212 1 1 1 4903 1 1 2841 2343 2800 2561 433.9678 *433.9803* 433.9803@0.83616304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6041 4875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 4557 1 1 1 1 433.9803 *434.0061* 434.0061@0.81350505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.0061 *434.0158* 434.0158@0.8990268 4142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.0158 *434.0182* 434.0182@5.4279156 7840 7449 1 1 1 1 1 1 1 1 4902 4943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.0182 *434.0198* C24 H6 N2 O7 4606 4040 1 1 5470 3432 3980 3972 5678 1 1 3313 5152 1 3189 4293 3339 1 1 1 1 1 3126 1 1 1 5001 4857 3352 3040 1 1 3594 2015 1 3384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5281 1 1 1 4256 4808 1 4102 1 4150 3650 1 4557 1 1 2603 1 4939 1 1 1 1 1 1 3324 1 3770 5266 1 1 4753 1 4777 1 1 4416 1 1 1 434.0198 *434.0216* C11 H22 N4 O4 S5 1 4166 4359 1 1 6264 6403 8505 1 6040 1 1 1 1 4861 1 4756 4503 5183 1 4944 4939 1 3599 4313 3969 1 1 3436 1 4789 4980 1 1 4719 4821 1 2438 1 5305 4180 3376 5569 4127 3913 3608 5157 4633 3780 4804 1 1 3919 3974 1 1 1 5961 1 3501 1 1 4165 1 4670 4902 4289 3802 1 4236 5783 5311 2678 3557 4297 4754 4775 3530 8596 7981 3819 1 4387 1 6472 5768 1 5214 1 1 434.0216 *434.0315* 434.0315@0.9204575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4066 4038 434.0315 *434.1134* 434.1134@1.1200436 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.1134 *434.1496* 434.1496@3.8955786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3548 3835 2269 2695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 2320 1848 1 1 1 1 1 1 1 1 1 1 1692 1 2024 2543 2802 2255 1 1 1 1 1 1 2189 1 2792 3022 1780 2082 1781 1 3373 3414 3925 3880 3770 3926 1916 1822 3811 3340 1 1 1 1 2870 3026 434.1496 *434.2396* 434.2396@9.894152 1 1 1 1 1 1 1 1 1 1 1 1 4392 4653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2396 *434.2652* 434.2652@13.614833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3362 3331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2652 *434.335* 434.335@11.568926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.335 *434.3365* 434.3365@11.675882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49474 49862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.3365 *435.2255* 435.2255@8.708752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420275 419407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2255 *435.866* 435.866@0.856437 1 1 1 1 1 1 3188 2418 2108 1 1 1 1 1 2507 1 1 1 1 1 1991 2334 1 1 1 1 2376 1 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 2609 1 1 1 1 1 1 2068 1 1 1 1 1 2397 1 2765 1 1 2504 1 2432 1 2499 1 1 1 1 1 2766 1 2831 1 1 1 2374 1 1 2692 1 435.866 *435.8673* C18 H6 Cl2 O S4 1 5778 5687 4327 3587 1748 2296 2257 1882 3676 3472 1 3816 3780 1696 1753 4186 2369 5813 4585 2178 1906 2797 4301 2705 4273 1719 4245 1593 1407 1674 4053 4077 1667 2572 1 1876 3948 1671 3497 1 4321 2758 5621 1 3981 6467 4181 1 2863 2223 2295 1 4179 4309 1 6138 4229 1978 1968 1 7914 1657 1 1850 2062 1992 4901 1 2035 1 1924 4333 1943 2700 1 3128 1 6588 4000 1 3748 4089 1524 4097 1818 1 1618 1838 4350 435.8673 *435.8781* C12 H Cl O14 S 16279 15326 20565 23824 26648 28329 23142 22725 27468 26591 28278 27624 28234 30886 32314 34357 29789 26725 32769 35620 38672 36284 32997 32335 29765 24169 27205 25512 21173 21191 39753 42703 28238 28943 23365 23697 25837 24101 28814 30593 27347 26791 30878 26573 26075 26397 32101 28381 31642 30218 36755 41873 26602 26915 33211 28644 37301 37587 26478 26004 18646 19203 21323 19969 40869 42304 33784 35940 41979 37627 30644 31891 24396 24743 35624 36631 31097 32064 31273 30449 26214 24193 23458 20657 31020 33978 30077 24954 24809 23357 435.8781 *435.9784* C14 H4 N4 O13 1 2571 1650 1790 1 1931 1 1 1627 1575 1 3847 1585 1665 1795 1735 1 1 1 1 1 2074 1 1944 1677 1864 2234 1777 2109 1 1 2033 1 2071 2395 1 2134 1931 2046 2475 1875 1 2069 1627 1 2317 1969 1829 1 2826 1817 1620 1 1539 1590 1423 1681 1536 1779 1 1 2696 2577 1 1789 1834 1556 1613 1 1535 1 1692 1695 2100 2028 1966 1 2323 1952 1990 1780 1711 2679 1 1819 1611 1 2771 1832 1790 435.9784 *436.1387* 436.1387@8.196066 1 1 1 1 1 1 10490 10317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9552 9014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.1387 *436.2017* 436.2017@13.476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2017 *437.1136* 437.1136@0.91607916 1 1 1 1 1 1 10690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.1136 *437.8814* C15 H2 O10 S3 1 1 2946 1 3127 1887 2735 2699 1 3674 2024 1 3323 1 2535 1 1 2306 4953 1 1 2062 3805 3573 1 2580 2224 3337 2250 1222 3008 1 3264 2403 1 3017 1 4425 3190 1 2514 3467 1 2219 3800 1 1 2719 1 1 4390 1 4377 1 1 3507 1 2959 3280 3256 1 2649 1889 3935 2681 1574 2906 3445 1 2809 3461 4200 1 3431 1 1 1 2267 1 2754 2496 1 1 3090 2380 1 1 3242 5834 3144 437.8814 *437.8829* 437.8829@0.8081636 1 1 1 1 1 1 1 1 2484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1 2930 1 3237 1 1 1 1 1 1 1 1 3335 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 3663 1 1 1 1 1 1 1 1 1 1 1 3658 1 1 1 3383 1 2344 1 1 3339 1 1 1 1 1 1 1 1 437.8829 *438.0593* 438.0593@7.060431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12560 12203 1 1 1 1 1 1 438.0593 *438.0902* 438.0902@5.0327196 1 1 1 1 1 1 9018 8869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.0902 *438.1173* 438.1173@1.1926681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1961 2838 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2858 2700 438.1173 *438.1532* 438.1532@7.0350294 1 1 1 1 1 1 7557 7790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3169 4885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.1532 *438.1543* 438.1543@6.363112 1 1 1 1 1 1 11794 10981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9576 8875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1 1 1 1 1 1 1 438.1543 *438.2017* Pro Trp His - 10.727135 1 1 1 1 1 1 1 1 1 1 2499 1 1 1 1 1 1 1 1 1 1 5276 1 5620 5142 7011 1 1 6118 1 1 4310 6031 1 1 3388 5542 1 7946 7488 2713 6534 7848 6830 7135 7924 4538 1 6217 2256 1 1 3098 1 6807 6983 5345 4964 7422 6467 1 4354 4546 1 7179 6983 5840 4476 4855 7049 1 1 1 1 1 1 1 5826 1 1 4756 5520 1 6041 1 1 5317 1 1 1 438.2017 *438.2022* 438.2022@10.843333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3934 1 1 1 1 1 1 1 1 4584 5015 1 1 1 1 1 1 1 1 1 4132 1 1 1 1 1 1 1 1 1 1 1 1 1 3491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2172 1 1 1 1 1 1 1 1 438.2022 *438.2024* Pro Trp His 5423 6703 5983 8760 9196 7160 6109 5346 6737 7293 4007 6882 7138 6597 7411 6292 10109 9173 5856 7443 6850 6930 6294 7224 7612 5270 7138 13332 8400 5743 5996 6668 7565 6869 12939 9647 5909 5872 6637 6657 6870 7137 6453 7310 7419 7377 5930 6029 7771 8132 5366 4999 9034 12472 6845 6728 5388 5840 5378 5137 5072 5063 7070 6033 5882 6288 5350 4730 5786 4619 5610 3785 3425 6795 1 5020 1 3950 1 6192 7845 4809 4586 4367 3030 1 6205 4577 1 1 438.2024 *438.2947* 438.2947@9.909603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 3425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15332 1 1 1 1 1 1 1 6464 1 1 1 1 8042 1 1 1 1 1 1 1 1 1 1 1 1 5482 5328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2693 1 1 1 438.2947 *438.2959* 438.2959@8.693471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7553 7223 1 1 1 1 1 1 1 1 1 1 2735 1 1 1 1 1 1 1 1 1 1 1 438.2959 *438.2959* 438.2959@9.1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2796 3168 2953 3046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.2959 *438.3307* 438.3307@12.72348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3389 3335 1 1 1 1 1 1 3544 3651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 4478 4234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2945 1 1 1 1 1 1 1 438.3307 *438.9983* 438.9983@4.104275 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.9983 *439.1085* 439.1085@2.8728087 1 1 1 1 1 1 1 1 1 1 1 1 1 3387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2891 3310 1 1 1 1 1 1 1 1 1 1 3832 4347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4395 3782 1 1 1 1 1 1 3752 3414 439.1085 *439.1468* 439.1468@0.9084875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.1468 *439.2175* 439.2175@3.9724047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8390 8204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.2175 *439.8239* C11 H2 Cl2 N2 O5 S4 3417 9547 3378 3502 3338 6671 1 3594 3469 3165 3494 10094 1 3673 3370 3683 4135 1 5389 11426 3655 10278 6308 3348 3755 3801 6160 5614 1 2776 3991 3628 1 3450 3328 3770 3782 6067 11541 1 3479 3500 3469 1 1 6258 1 10062 3558 3770 3585 3848 4356 1 1 3867 1 3419 9269 4106 3770 3843 1 5545 3526 1 3981 4041 3833 4795 4018 3668 3692 6585 4258 3756 4134 3954 3967 1 1 3728 4056 4157 4061 1 1 7045 3431 3563 439.8239 *439.8715* 439.8715@0.7809489 1 1 1 1 1 1 1 1 1746 1 1 1 1 1 1 2120 1 1949 2273 1966 2078 1953 1823 1 1 1 1 1 1 1 2889 2640 1 1 1 1 1 1 1 1787 1 1 1 1 1 1976 1 1 1 1 2338 1833 1 1 1 2146 1 2734 1 1 1 1 1 1 2218 2680 1932 2346 2735 1 2211 1774 1 1 2046 1 2333 2114 1 1 1 1 1 1 1 1 1 1 1 1 439.8715 *440.1646* 440.1646@5.706052 1 1 1 1 1 1 3780 3989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.1646 *440.251* 440.251@13.033136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.251 *440.2542* 440.2542@11.461237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4351 4007 1 1 1 1 1 1 1 1 3433 3659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2542 *440.2909* 440.2909@14.408425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3863 3641 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 1 1 1 1 1 1 4186 4488 1 1 1 1 1 1 1 1 1 1 1 1 6267 6250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2909 *440.3064* 440.3064@14.106236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3064 *440.3334* 440.3334@13.475041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3334 *440.3468* 440.3468@13.363672 1 1 1 1 1 1 1 1 3453 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3642 1 1 4863 4060 1 1 4894 4131 1 1 1 1 1 1 6469 5619 1 1 1 1 1 1 1 1 1 1 9317 8979 1 1 1 1 1 1 3283 1 5786 4998 5278 3531 1 1 4095 3661 1 1 4303 4316 1 1 1 1 1 1 1 1 1 1 1 1 440.3468 *440.3479* 440.3479@13.461913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5736 6752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3479 *440.348* 440.348@13.974029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6365 6457 1 3375 4684 4729 1 1 3168 3899 1 1 1 1 1 1 3611 1 1 1 1 1 1 1 1 1 1 1 4099 4561 1 1 1 1 1 1 1 1 6807 6394 4620 4249 1 1 1 1 1 1 3680 3464 1 1 1 1 1 1 1 1 1 1 1 1 440.348 *441.0466* 441.0466@6.135915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16406 17390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4093 4717 1 1 1 1 1 1 12029 12560 1 1 1 1 1 1 1 1 1 1 2497 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.0466 *441.0861* 441.0861@2.8645883 5050 5622 1 1 1 1 22737 23286 1 1 1 1 4812 4867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3815 1 441.0861 *441.8155* C16 H Cl3 O3 S3 3453 3395 7068 3290 5734 3024 5959 5546 1 3302 3289 8089 9978 3278 5934 3527 6287 1 6549 3799 3299 6024 3475 3281 3717 3597 3553 3630 3334 5430 3751 5877 6174 6608 4590 3387 3711 3460 1 10760 3357 6575 3886 3444 3653 6521 13173 10910 6541 1 3422 7403 3797 1 3527 5847 3534 3528 3446 7127 3293 5446 3381 3635 3690 10847 4001 3966 1 5192 3691 3772 3973 6684 5385 4415 7091 4037 7175 3905 4025 8254 7387 3891 3788 3991 3691 3646 3733 3922 441.8155 *441.894* 441.894@0.79748935 1 1 3354 1 1 1 1 1 1 1 1 1 3663 3514 1 1 1 1 1 1 1 4116 1 1 1 1 1 1 1 3316 1 3928 3595 1 1 1 1 3843 1 1 1 1 1 1 1 1 3975 1 1 1 8116 1 1 1 4209 3992 1 1 1 1 1 1 1 1 1 4228 1 4277 1 1 4294 1 1 5186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.894 *441.9956* C16 H14 N2 O7 S3 13680 9989 4471 4175 6396 4582 2744 2912 3749 4371 9190 9799 4181 4366 4471 4482 3564 3095 2979 3115 5540 5160 5808 4163 5623 4972 4719 6337 5350 6509 8180 4589 5419 6334 5806 7596 5930 4986 6713 1 3888 4252 5012 5301 4505 3953 3896 4955 2976 3315 3242 3897 3073 3226 3856 4662 4388 3550 4233 5442 9269 8867 8289 8147 4373 4335 4531 4435 2661 2539 5388 5153 5383 4330 3809 4132 3933 4103 4487 4894 3487 3366 6308 7207 4765 3742 1 4589 4037 4784 441.9956 *441.9975* 441.9975@0.8619854 1 3817 1 1 1 1 1 1 1 1 1 3799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5546 1 1 1 441.9975 *442.0962* 442.0962@5.119576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14876 16991 1 1 1 1 442.0962 *442.0966* 442.0966@5.168545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37298 33096 1 1 1 1 442.0966 *442.1473* 442.1473@0.98953414 2622 2697 2202 1 3182 2829 1 1 1 1 2305 2532 3318 2977 5845 5478 1 1 3937 3519 2633 2787 1 3007 3485 3608 2077 2050 2587 1 1 1 1 1 1 1 2475 2838 1 1 3266 2999 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 3195 3275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1473 *442.1778* 442.1778@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1778 *442.181* 442.181@6.755069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13894 13302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.181 *442.1811* 442.1811@6.459842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52504 53270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1811 *442.1812* 442.1812@6.62619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5678 5300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1812 *442.1815* 442.1815@6.367924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45229 44453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.1815 *442.2027* 442.2027@4.5576534 1 1 1 1 1 1 1 1 1 1 1 1 21942 22295 1 1 12446 11651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2027 *442.2092* 442.2092@13.724338 1 1 1 1 1 1 1 1 2585 2926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2092 *442.3039* 442.3039@13.402205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3039 *442.306* 442.306@13.552664 1 1 7191 8063 1 1 5542 6729 6820 6300 4665 7895 1 1 8335 4763 1 1 6451 5891 1 1 1 1 1 1 1 1 5105 4894 1 1 1 1 1 1 3521 5544 1 1 1 1 1 1 1 1 1 1 1 1 5191 6182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.306 *442.3076* 442.3076@13.537934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4406 3349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3076 *442.3632* 442.3632@12.672053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3065 1 1 1 1 3782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2961 2974 1 1 1 1 1 1 1 1 3713 3734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2941 1 1 1 1 1 1 442.3632 *442.3957* 442.3957@14.134119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2379 2289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.3957 *443.8981* C10 H5 Cl N2 O12 S2 2700 2491 6453 4549 1989 3138 2422 3217 3383 3308 2585 2754 3927 3546 6095 3778 3647 3522 6645 5851 3824 3803 3958 3788 3678 6335 3258 6003 4850 3869 4138 4097 1 2498 3356 3356 3383 3905 1 3986 3953 3680 3680 3288 6374 3770 3726 5928 5745 4161 1 2317 6054 4448 6860 4203 6002 5817 3518 3995 2848 2999 3555 3371 4092 3900 4111 4027 6939 4603 3799 3949 3646 4296 3679 3889 3395 6556 3505 2553 6682 3945 3359 2848 3942 5353 3009 2905 3784 3920 443.8981 *443.8982* C16 H7 Cl3 N2 O3 S2 2568 2303 1 2821 4655 1 3912 2552 1 1 1 1 2389 1 1 2205 2398 2412 1 3012 2736 2791 2393 1 1 1 2888 1 2736 2815 2045 1 1 3542 1 1 2660 2585 3381 1 2453 1 2396 2615 1 1 2351 1 2360 2398 2322 5517 1 1 1 2830 1 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 2361 2755 2299 2516 1 3282 1 1 3253 1 2580 2237 2731 2338 2504 1 2547 2252 2342 443.8982 *444.0813* 444.0813@1.2347283 2927 2633 2778 2778 2913 2728 6711 5251 2798 2708 3395 2888 2097 1912 2788 2919 1 1866 3425 2945 2877 2609 2463 4544 1496 1 2322 2406 2384 2446 3835 3234 3221 2131 1 1418 1 1 1 1 1 1 1 1 1592 1932 1 1 1 1 1849 2514 1 1 1 1 1 1401 1 1 1912 2029 1 1355 1563 1 1922 2192 1729 1 1813 1503 1 1 1 1 1 1 5829 5915 2787 2773 1684 2070 3445 3813 2708 2619 1936 2408 444.0813 *444.095* 444.095@5.2444954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8795 8181 1 1 1 1 444.095 *444.1282* 444.1282@3.6697059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1282 *444.1482* 444.1482@2.8470204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10437 10495 1 1 1 1 1 1 1 1 1 1 444.1482 *444.1505* 444.1505@5.800101 1 1 1 1 1 1 1 1 1 1 6479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1505 *444.151* 444.151@5.783389 1 1 1 1 1 1 1 1 1 1 8926 18576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8962 9837 1 1 1 1 1 1 1 1 1 1 444.151 *444.1598* 444.1598@7.3893757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3364 1 1 1 1 444.1598 *444.1602* 444.1602@7.565443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5497 6370 1 1 1 1 444.1602 *444.1603* 444.1603@7.4495726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4928 4430 1 1 1 1 444.1603 *444.1957* 444.1957@6.562311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.1957 *444.3212* 444.3212@13.094592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6529 6159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5117 5349 1 1 1 1 444.3212 *444.3216* 444.3216@13.218326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4206 1 3653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.3216 *445.0947* 445.0947@1.239051 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.0947 *445.1163* 445.1163@2.8673594 1538 1 1 1 1 1 6924 6847 1 1 1 1 1911 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4658 4827 445.1163 *445.1529* 445.1529@5.541095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4962 5084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.1529 *445.1757* 445.1757@7.9907694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3664 3409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.1757 *445.2419* 445.2419@13.466577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4609 1 1 1 1 4751 4975 6717 5940 1 1 1 1 1 3776 3743 3832 1 1 5084 5844 1 1 1 1 4192 3739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 1 1 1 1 1 4733 4619 1 1 6136 6981 445.2419 *445.899* C8 H9 Cl3 N2 O11 S 1 1 1 1 1 1 1617 1476 1 1 1 1 1349 1 2670 1 1545 1 1 1894 1491 3116 1 1 1328 2806 1 2674 1 2368 1 1337 1 1313 1 1 1481 1548 1642 1 1 1 1 1 1 2544 1387 1 1741 1744 4216 1837 2328 1 2934 1614 1734 1 1266 1480 1 1 1 1 1529 1 1804 3361 1600 1844 1590 1686 1 1541 1363 1320 1 2852 1614 1 1557 1553 1 1 1612 1812 1232 1 1656 1502 445.899 *446.0585* C16 H14 N8 O4 S2 15410 14477 15459 13740 11477 11405 27561 26769 9650 10238 11454 11254 7791 7788 9055 8427 8766 7257 11021 10361 5275 5153 6863 6129 5124 5358 5508 5530 6392 6114 7979 6969 10573 11956 6542 6190 6821 7483 5181 4676 7139 7747 3803 3815 6690 6828 5273 5409 4390 4508 6919 6905 3635 3301 5385 5122 8744 8853 4501 4340 4417 4442 3519 2903 5211 4404 5580 5369 4937 4930 4009 3145 3480 2933 4058 3881 4408 4309 11115 10477 6087 6184 4425 4088 6575 6351 5429 5910 2672 2816 446.0585 *446.0843* 446.0843@7.024682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5765 6037 1 1 5624 5061 1 1 1 1 1 1 1 1 1 1 5001 5515 14463 14374 1 1971 1 1 1 1 8881 8347 1 1 1 1 1 1 1 1 1 1 19594 19139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4341 4337 1 1 1 1 1 1 1 1 1 1 446.0843 *446.0964* 446.0964@1.2470706 1 1 2327 2262 1 1 5899 6107 2943 2217 2407 2234 1613 1741 1 2140 1 1772 2005 1 1 2202 1943 1 1 1 1 1946 1871 1630 3514 2336 2124 2074 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1822 1769 2124 2077 1 1 1 1 1755 1881 1 1 1 1 1 1 1240 1 1 1 1 1 1 1670 1 1387 2139 2431 1 1 3738 3780 1 1 1 1 2058 2476 1 1 1770 1840 446.0964 *446.1157* 446.1157@4.013078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1486 1 1 1 1 1 1 1 1 1 1 446.1157 *446.2253* 446.2253@7.068027 1 1 1 1 1 1 1 1 1 1 1 1 5169 5160 1 1 1 1 1 1 1 1 8988 8592 1 1 1 1 1 1 1 1 8507 8517 8311 7779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4105 3834 1 1 1 1 1 2739 1 1 1 1 5018 5259 12125 11890 1 1 1 1 1 1 1 1 1 1 1 1 3659 4088 1 1 446.2253 *446.2322* clavulone I 1 24674 1 1 1 26192 25121 1 23479 26053 18690 1 1 30280 1 11623 32243 1 1 1 1 31694 32365 33964 22987 1 1 1 33345 2936 1 23517 1 22764 34675 36481 20193 20484 1 21019 20868 20171 1 1 37844 38470 21066 19170 1 1 1 1 40142 1 1 1 1 17073 1 1 11104 16166 28677 24652 20177 16301 1 1 9734 1 1 13918 6992 14631 16608 22427 11017 9813 9320 11655 1 23046 15947 6909 7667 8366 21820 23419 6959 8169 446.2322 *446.2322* 446.2322@10.724563 3757 1 1 1 1 1 1 1 1 1 5682 1 1 1 1 1 1 1 1 4968 1 1 1 1 10692 1 9546 1 1 5394 13139 1 1 11843 1 1 9986 14413 9901 1 1 13741 1 6469 1 1 15070 16596 1 1 15698 1 1 1 1 1 14132 1 1 9651 1 10819 1 1 4421 10405 1 9099 6328 1 1 8060 1 4220 5217 1 10558 10472 1 9842 8686 1 1 10022 1 12050 1 1 1 2408 446.2322 *446.2323* clavulone I - 10.898006 1 3801 1 1 4466 1 1 4103 4148 1 1 1 1 1 1 4612 1 1 4872 4352 4430 4876 5386 3766 1 4253 5101 5609 5032 4221 5452 1 5869 5815 5161 5410 5259 2517 5678 4889 6680 5561 5491 6025 5410 6537 6461 6184 6316 6395 4928 6485 6192 5676 6184 6161 5677 3938 4258 4529 1 5203 1 4771 5128 4895 1 4715 4420 4761 1 1 1 1 1 1 1 1 1 1 1 4613 1 1 1 1 1 1 1 1 446.2323 *446.2325* 446.2325@10.640923 20762 1 23542 23467 24919 1 1 22112 1 1 1 27903 31131 1 30860 19800 1 33133 21944 28117 19237 1 1 1 1 34686 23807 35385 1 19566 21228 1 24891 1 1 1 1 1 21485 1 1 1 30323 31795 1 1 1 1 41404 35614 19960 18868 1 37344 25824 26622 18627 1 19650 15108 14068 1 1 1 1 1 25205 13452 1 9991 15625 1 1 1 1 1 1 1 1 1 15328 1 1 1 1 1 1 1 1 1 446.2325 *446.2325* 446.2325@10.725634 1 1 1 1 1 1 1 5595 6868 4302 4726 1 1 1 1 1 1 1 8342 1 11949 1 1 1 1 1 1 1 1 2095 1 9862 1 1 1 1 1 1 1 13140 14372 1 1 1 1 1 1 1 1 1 1 16449 1 1 13309 1 1 13252 1 1 1 1 1 4596 1 1 1 1 5340 10887 3654 1 1 1 1 1 1 1 11717 1 1 1 1 1 1 1 1 1 11095 1 446.2325 *446.2389* 446.2389@6.6740146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3667 1 1 3029 1 1 1 1 1 1 1 1 1702 1 1 1 1 1 1 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3620 2795 446.2389 *446.3018* 446.3018@12.959188 1 1 6753 6098 1 1 1 1 6958 7275 1 1 1 1 7105 7405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 1 1 3841 4260 1 1 1 1 1 1 1 1 6446 6476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.3018 *446.3355* 446.3355@13.329702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4077 4462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3828 4673 1 1 1 1 446.3355 *446.3363* 446.3363@13.561028 1 1 1 1 4301 1703 1 1 1 1 4145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3331 1532 1 4891 1 1 1 1 10547 10433 2122 1 3974 1 1 1 1 1 3214 1 10612 1 3559 4245 1 1 1 1 2727 5214 1 1 1 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 1 1 3512 1 1 1 1 4140 1 1 3269 1 1 1 1 446.3363 *446.3365* 1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole - 13.7853775 6824 5674 1 1 17728 17324 6256 5003 7083 6774 14462 16006 1 1 6171 6157 1 1 3700 4240 8054 7492 11741 11847 6031 5043 12182 12573 19771 22481 11916 11253 9149 8893 1 1 54960 58877 15027 15019 18928 19658 5132 5434 14857 15751 14492 15823 8584 8258 20201 19779 9271 9688 10456 11790 19262 21103 13886 14256 17204 15619 7014 5746 12225 11420 16055 17100 13410 12524 6664 5721 12533 13245 12860 12120 21848 19825 11193 11448 6634 6375 18773 18711 16424 16851 1 1 7456 6998 446.3365 *446.3366* 1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxachole 9088 11587 9331 9122 26939 29323 12809 12928 13139 13613 17334 16836 6477 6520 13423 14376 4881 1 11405 10868 16808 15119 21325 19473 11272 10563 15962 18542 32023 36822 19630 21295 19268 17819 3893 5177 55494 54855 29257 26765 30221 28744 9987 10051 20612 21939 34866 35261 1377 11455 44101 36420 13962 15974 18486 18507 25714 23538 14743 13252 17867 22039 12078 13669 18317 20249 36699 34124 25419 25720 11032 8070 18965 19389 18493 15443 29212 27957 15220 14692 7177 7666 23983 25325 32798 33745 7444 6477 18071 17265 446.3366 *447.2363* 447.2363@10.688733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.2363 *447.2561* 447.2561@14.235992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4213 1 1 1 1 1 1 1 1 1 1 3507 1 1 3995 1 1 1 6507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 447.2561 *447.2566* 447.2566@14.219729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4593 1 1 1 1 1 1 3746 1 5721 6961 3462 1 1 1 4494 3716 6761 5548 1 1 1 1 1 3890 3351 1 1 1 6174 1 1 1 1 1 3205 1 3547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 4385 3971 1 1 1 1 3843 1 1 1 6765 3655 447.2566 *447.2958* 447.2958@8.161877 1 1 1 1 1 1 1 1 3426 3488 1 1 1 1 1 1 9521 9500 1 2633 1 1 8501 7773 1 2858 2477 1 1 1 6569 6590 5407 4723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3003 3357 3567 3146 3229 3662 3517 3653 1 1 1 1 1 1 3192 3390 6986 6743 1 1 447.2958 *447.2958* 447.2958@7.503401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2494 1 1 1 1 1 1 1 1 3102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.2958 *447.9113* C17 H Cl O13 1 1 5091 4358 6992 7170 4754 4602 5133 5019 1922 4551 5923 4414 5726 6003 5339 5160 5481 6906 5332 5839 5182 5318 9044 4744 7311 5358 1 4074 8001 4716 6289 4593 4425 4701 7212 5898 4830 5995 5505 6256 7499 4331 5073 5302 4648 5878 6182 4868 6080 7455 5919 5543 5657 6185 5453 7490 5542 4967 8950 1 4270 8201 8638 6482 5674 7066 5708 6148 5359 6726 6318 5201 9875 5910 7044 4729 6071 6470 8761 6242 5574 5715 5978 4694 5178 5099 6575 6711 447.9113 *447.9316* 447.9316@0.82631236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4108 1 1 1 1 3504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3911 1 1 1 1 1 1 1 1 1 1 1 1 447.9316 *447.9391* 447.9391@0.841383 1 5046 1 1 1 1 1 1 1 1 2807 5625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 1 3379 1 3740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3172 1 4843 4448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2955 1 1 1 1 447.9391 *447.9411* 447.9411@0.83169127 1 1 1 1 1 1 1 1 1 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3348 1 1 1 1 1 3715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.9411 *447.9984* C18 H8 N8 O S3 8904 8577 1 1 3669 3528 52956 53167 2400 2686 1 1 3761 3759 1 1 3723 2858 2714 2731 1 1 1 1 10361 9891 4495 5137 8436 8373 1 1 30029 30835 16101 15610 10705 11235 3383 3114 5119 6093 7454 7032 13204 13344 4229 3871 5339 5599 8646 7808 4162 3909 1 1 13140 14687 1 1 6582 6745 1 1 17132 17237 7563 7527 1 1 1 1 1 1 1 1 6329 6333 34414 35386 14290 12197 8158 7735 5076 5112 30812 29828 1 1 447.9984 *448.1207* 448.1207@4.4995837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2988 2760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.1207 *448.1384* 448.1384@8.136726 2739 2683 2272 1 2242 1 3742 3370 2506 2754 2836 3370 1 1 1 1 1 1 1 1 1 1 4201 4360 1 1 1 1 2633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.1384 *448.1483* 448.1483@10.10307 10917 7040 9873 9548 10968 10500 9874 3618 10679 3320 5604 8886 9096 9900 9531 9625 9729 9884 8643 8056 3214 7485 5199 7446 1 4901 6479 7536 6744 1820 8088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.1483 *448.1483* 448.1483@10.083868 1 1 1 1 1 1 1 6814 1 6893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.1483 *448.2779* 448.2779@10.149041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5774 6365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.2779 *448.3509* 448.3509@13.6147175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4341 3527 4486 4157 1 1 1 1 1 1 5354 4120 2110 4450 1 1 1 1 1 1 1 1 1 1 3042 4694 1 1 1 1 6534 6520 1 6334 1 1 1 1 5341 5494 5545 4330 1 1 1 1 1 1 1 1 1 1 5085 5069 1 1 1 1 5077 1 1 1 1 1 448.3509 *448.3514* 448.3514@14.320978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 1 1 1 1 1 1 4101 4117 1 1 1 1 1 1 1 1 1 1 1 1 5644 22913 1 1 1 1 1969 1 1 1 1 1 1 1 1 1 1 12676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.3514 *448.3517* 448.3517@14.143972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 6569 6328 1 1 1 1 19985 10685 14149 1 1 1 1 1 1 1 4809 1 1 1 7694 5561 1 1 1 1 21414 20234 1 1 1 1 1 1 1 1 6158 6087 1 1 1 1 1 1 1 1 4945 1 1 1 1 1 1 1 5683 1 1 1 6425 7146 448.3517 *448.3519* 448.3519@14.107299 1 1 1 1 6247 4639 1 1 1 1 4279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22248 7649 5890 5997 1 1 1 1 14161 15482 7085 14685 1 2957 1 1 6379 5277 9101 1 1 1 10813 18176 1 1 1 1 10450 12439 4782 4241 1 1 1 1 10952 11042 5940 5322 4606 1 1 1 4923 4073 1 1 4376 1 4769 5532 1 1 1 1 5747 6017 1 1 4873 4733 448.3519 *448.352* 448.352@13.979652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3522 1 1 1 1 1 9124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.352 *448.3521* 448.3521@13.948975 1 1 1 1 1 1 1 1 1 1 2472 4294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 5629 4634 4473 4315 3192 1 1 1 1 6597 6829 3896 6688 2337 1 1 1 3422 3872 3696 1 1 1 2913 3388 1 1 1 1 6620 6930 1 4459 1 1 1 1 9234 9733 4741 6046 5717 4748 1 1 1 1 1 1 1 1 1 5425 1 1 1 1 4398 5638 1 1 1 1 448.3521 *449.1793* 449.1793@9.541228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.1793 *449.3111* Glycoursodeoxycholic acid 4355 4249 1 1 19130 19856 28625 28427 9020 8990 12129 11989 1 1 10655 10578 42859 41768 8397 8687 1 1 18877 18437 4298 4266 2367 2508 1 1 23946 23741 8428 8632 6860 6475 9130 9270 5247 5142 5708 5362 7619 7046 6965 6994 6660 7055 33678 31839 1 1 2631 2461 2985 1 1 1 17557 18263 33341 32804 5041 4734 8922 9910 6526 6181 22411 22909 12298 11897 5676 5487 9547 9249 5043 4995 3982 4029 23427 23154 7652 7568 6616 7920 38948 37276 1 1 HMDB00708 449.3111 *449.3111* 449.3111@7.6152716 1 1 1 1 1 1 5620 5504 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3755 3623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 3087 1 1 1 1 2949 1 9763 8811 1 1 1 1 4468 4377 1 1 1 1 4045 4182 6922 6679 1 1 5707 5325 1 1 449.3111 *449.3111* 449.3111@8.844256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.3111 *449.3114* Glycoursodeoxycholic acid - 8.816933 5085 5147 1 1 8554 7821 17268 17058 9675 9212 1 1 1 1 7201 7633 49118 38048 6291 6145 1 1 34745 35494 16469 16849 1 1 1 1 29241 30472 10503 10485 8110 7229 4225 4214 6921 7163 1 1 3812 3149 1 1 1 1 7053 6513 3303 3468 1 1 1 1 1 1 15252 16980 16121 15251 1 1 7017 7608 1 1 7546 7120 4869 4350 3983 3672 8351 7987 4133 3816 1 2826 7421 6972 1 1 6284 6819 38945 36906 1 1 HMDB00708 449.3114 *449.8487* C9 H13 Cl3 O4 S5 4530 4063 3906 1 2473 2326 1 4641 1 2209 4420 3842 1 1 2209 2240 1 1 4357 1 2687 2855 1 2338 2519 1 2833 3992 3986 2829 2568 2615 4790 3176 2347 2287 2855 1 2658 2523 2640 1 2849 1 4055 2350 3988 1 1 1 3793 1 1 2272 4313 1 1 1 2592 1 3807 2670 3943 3581 2444 1 1 1 1 1 2901 2775 1 3084 1 2460 3175 1 1 3100 4416 1 2299 3899 2404 2492 2343 2809 2487 2371 449.8487 *449.8534* 449.8534@0.83292663 1 1 1 1 1 1834 4081 1 3907 1 1 1 2500 3986 1 1801 4029 1 1 4212 1 1 1 1 1 4511 1 1 1 1501 2172 1 1 1 1968 1 1 4507 1 1 1 3784 1 4317 1 1 1 4312 3694 1 1 1 3972 2043 1 4056 3808 1 1 1 1 1 1 1 1 3882 1 4621 4114 1 1 1 2620 1 5407 1 1 4840 1 1 1 4273 1711 1 2226 2051 1 1 1996 1 449.8534 *449.8936* C24 H2 O2 S4 1 2264 2770 2753 3429 3209 3258 3180 3373 3209 3400 3087 3181 3300 4037 3680 3145 3095 3539 3546 3545 3552 3421 3887 1 3000 3265 3306 2586 2424 4261 4254 3506 3211 3069 3105 2839 3340 3391 3451 3409 3278 3125 3124 3693 3336 3440 3770 3425 4066 4284 4927 3270 3347 3591 3495 4513 5035 3240 3408 2360 2110 2281 2667 4259 4328 4039 3879 4171 1 3582 4369 3173 3597 1 4411 3442 3456 3823 3719 1 3526 2643 2854 3898 3523 3423 3798 3059 2715 449.8936 *449.93* 449.93@0.8283003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8606 1 1 1 1 1 1 1 1 1 449.93 *449.9529* C17 H6 O13 S 67188 68437 74440 72837 76327 73144 64329 65041 69201 68901 77730 75516 73842 72860 62917 64975 78733 75773 48711 48653 56631 55255 55046 56670 59971 59723 64263 66403 46554 45393 72412 72787 77054 75745 79436 80288 80595 80391 78116 80283 84612 84948 63346 64473 80828 81323 77193 75169 76166 76634 78419 77923 70193 70129 83031 82672 79729 79722 55755 57723 78354 77983 86076 82776 94616 92798 84277 85657 80517 85318 79161 80956 67752 66662 91364 95432 71235 71791 66029 69223 59760 58639 74697 74860 61225 59430 57775 58876 65623 68373 449.9529 *449.9946* 449.9946@0.80751014 1643 1512 1 1 1 1 1433 1536 1415 1 1345 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1317 1353 1 1366 1 1 1 1 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1374 1622 1 1 1 1 1 1 1 1 1792 1 1 449.9946 *450.1264* 450.1264@5.172785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13500 1 1 1 1 450.1264 *450.1267* 450.1267@5.139563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119275 104025 1 1 1 1 450.1267 *450.1716* C26 H27 Cl N2 O3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1550 1 1 1 1813 2363 1 1 1 1 2102 1923 1817 1536 1 1 1801 1 2681 2733 2674 2270 1 1504 2508 2682 1 1 3337 3474 1 1627 2750 3001 2052 2106 2129 1789 3331 3255 1 1 1 1 1961 2326 5793 7064 3322 3775 3136 2871 3608 4033 3135 3134 1 1 450.1716 *450.2073* 450.2073@6.2171144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2073 *450.2088* 450.2088@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2088 *450.2228* Phe Arg Glu 1 1 1 1 2972 3290 1 1 1 1 1 1 3251 3153 3004 2796 2787 2595 2646 2822 3431 3830 1 1 4311 4153 3935 4392 4311 4075 4487 4928 3533 3596 3332 3510 4777 5465 7754 7994 6536 6602 8907 8520 5411 5687 7729 7669 4845 4589 6594 7209 5546 5729 6276 6563 6406 5618 5511 5862 5342 5479 5302 5536 1 1 8513 8660 7109 7005 9311 9897 5889 4980 6772 5851 7400 8492 4686 4577 7139 7130 10168 9929 8137 8522 7369 7104 8256 8618 450.2228 *450.2591* 450.2591@9.988837 1 1 1 1 1 1 7564 7315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3991 3644 1 1 1 1 3847 2987 1 1 18956 18627 1 1 3257 3168 1 1 1 1 1 1 1 1 1 1 1 1 3468 3628 1 1 1 1 3491 3336 4544 4644 1 1 1 1 11489 10988 1 1 6100 5754 1 1 1 1 1 1 1 1 8518 8167 1 1 1 1 1 1 1 1 1 1 450.2591 *450.3199* 450.3199@14.853262 1 1 1 1 1 1 1 1 1 1 4047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3199 *450.32* 450.32@14.015245 9182 1 1 9191 1 1 10748 1 1 1 5978 1 1 1 1 1 9202 1 5440 9145 4786 1 1 1 1 1 4963 1 1 1 1 1 1 1 1 1 3731 1 1 8557 1 1 1 1 1 1 9777 9362 1 1 1 1 1 1 1 1 1 1 1 10132 1 1 1 6680 1 1 1 1 1 1 8735 1 1 1 1 1 1 1 1 1 1 1 1 1 4169 1 1 1 1 1 450.32 *450.3204* 450.3204@13.24692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3204 *450.3207* 450.3207@14.670106 1 1 1 1 9430 1 9221 1 9140 1 2562 1 9470 10962 1 1 8776 1 12146 12854 1 1 1 1 1 1 5382 12563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9206 1 1 14221 1 1 1 1 1 1 6971 1 1 1 450.3207 *450.3212* C24 H50 O3 S2 5467 9590 7563 7692 11410 9651 5341 7975 7758 6768 3300 12969 8092 8640 10021 9461 1 10542 7853 7279 8942 9452 9850 12818 8751 7351 4684 8619 8705 5020 1 12265 8552 1 6941 7818 8228 7981 13590 13602 1 1 5663 7341 1 11945 9004 8632 8205 1 1 12737 8084 1 1 8912 1 1 10476 8137 6137 5777 1 9948 11824 11158 1 1 1 1 8607 10303 8194 1 12600 8958 4918 1 1 7100 1 1 1 7213 12315 1 1 1 8719 9443 450.3212 *450.331* 450.331@14.169699 1 1 1 1 8190 9427 1 1 1 1 1 9294 1 1 1 1 1 1 1 1 10584 12112 1 1 1 1 1 1 1 3245 9732 7827 7632 7811 1 1 1 1 10210 1 8202 1 1 1 9831 8917 1 8068 1 1 1 1 1 1 1 1 1 1 8449 4034 1 1 1 1 8929 1 1 1 8185 1 1 1 1 1 1 1 11638 1 1 8963 1 1 1 1 1 1 1 1 1 12545 450.331 *450.3342* 450.3342@14.1821375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7155 1 1 8975 5693 1 1 1 9523 1 1 1 1 1 1 1 9012 1 1 1 1 9431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3342 *450.3426* 450.3426@14.215645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9967 1600 13335 10136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3426 *450.3515* 450.3515@14.2361765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15362 1 1 1 1 1 9536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3515 *451.0351* 451.0351@3.406929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9105 9321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2836 2662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.0351 *451.219* 451.219@6.9840775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4968 4519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.219 *451.8442* 451.8442@0.85075206 2912 3252 1 3212 1 1 1 1 1 1 1 3019 1 1 1 1 1 1 1 1 1 1 2178 1 1 1 1 3187 1 2973 1 3488 1 1 1 1 1 1 1 1 1 1 2181 1 1 1 1 1 1 1652 1 1 2985 1 3260 1 1 1 1 3125 1 2357 1 1 1 1 1 2355 1 1 3210 3281 1 2454 2133 1 1 3035 1 1 3190 1 2122 1 1 1 1 1 1 1 451.8442 *451.9688* C11 H14 Cl2 N2 O11 S 1 1 1 9746 10394 19265 1 1 19780 1 1 1 19521 18127 1 18906 8972 1 1 9775 12264 1 10802 1 11592 9254 1 1 9499 15578 1 10270 10566 10629 20392 29814 10417 1 29647 18135 1 19627 9310 1 12943 11560 11272 20396 21794 1 31276 1 21194 18228 10718 10495 19833 1 9647 19317 11148 1 10790 11886 11201 1 9568 4862 19380 1 1 1 11146 25296 19439 21727 1 1 18879 1 10862 11818 1 21011 10887 12106 19799 10751 10813 1 451.9688 *451.9698* C15 H6 Cl2 N6 O7 36835 36248 29660 27066 12342 18800 33444 17345 18613 10329 16594 33913 10338 20941 22274 20441 12455 19632 37745 27868 24233 36249 30032 40931 25053 27964 23133 39207 13750 22064 24865 26443 28829 20188 20442 10727 27257 41626 10284 22971 13854 21920 30034 36760 28712 12205 30369 18355 19525 32913 10499 41310 21033 10844 21085 30221 18587 19992 28588 19786 27933 19233 29513 29662 9788 36544 26433 14520 11583 9774 29305 32008 28354 10988 18157 21354 31270 31116 18103 18797 29525 26692 20681 20960 10206 10653 19763 21414 23992 33681 451.9698 *451.9751* 451.9751@0.894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.9751 *452.0395* 452.0395@5.4295545 3424 3380 1 1 1 1 1 1 1 1 1 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4533 4306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3226 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2101 1 1 1 452.0395 *452.2055* 452.2055@6.756469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4968 5835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2055 *452.2385* b-D-Glucopyranosiduronic acid, (3b,5b)-17-oxoestran-3-yl 18025 20858 19095 20516 14100 14477 10749 10530 17249 15361 9384 10212 17234 16465 17349 17828 17961 18185 19484 20929 18374 17958 9894 9359 18560 19398 21108 22114 17938 18953 23304 22317 21048 20550 23024 21832 48597 49982 33518 35895 39551 37380 4029 32893 23676 24039 33023 33470 26885 27291 34086 32684 38163 35442 36921 39601 33153 33124 24756 24789 34474 34516 30198 30427 34661 35831 52764 53808 31692 31050 53202 53874 21100 21032 29138 27418 39609 41242 18891 18931 49672 53034 39879 37734 49176 50694 38699 39215 64605 69443 452.2385 *452.2389* 452.2389@6.700925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3351 1 452.2389 *453.1411* 453.1411@7.0193176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3577 3624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.1411 *453.1938* C14 H23 N13 O5 7184 6855 6139 6748 6420 6851 8620 8877 6703 7107 7997 8249 6850 6774 8138 7982 6568 6549 7695 7922 4936 4666 9068 8550 9640 9760 6023 5873 7297 7950 8383 8185 10219 9448 5069 5209 8204 7530 6679 6588 8502 8781 8793 8176 5694 5822 5721 5729 9027 8806 7935 7721 7860 8271 6831 5896 9730 9662 9321 10402 10690 10489 8039 8147 7970 8237 10447 10083 9007 8460 10028 9968 10417 10441 9052 9496 10519 11046 10940 10804 7658 7738 16618 16422 8563 8521 10249 9155 6021 5821 453.1938 *453.2487* 453.2487@14.017563 1 1 4972 4913 1 1 1 1 3994 4788 1 1 1 1 4576 4634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3389 3442 1 1 1 1 1 1 1 1 4445 4675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.2487 *453.2817* 453.2817@11.148679 3585 1 1 3510 1 2817 1 4222 1 1 1 3414 1 1 1 1 1 1 4502 1 5613 1 1 2758 1 1 1 1 1 1701 1 1 6539 1 1 1 1 1 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1 1 8481 7985 1 3200 3045 1 1 1 1 1 1 1 1 1 4962 1 1 4178 1 1 1 1 9764 1 1 1 1 1 6946 1 1 1 1 453.2817 *453.282* C27 H39 N3 O S 1 3292 3474 1 3393 1 4371 1 1 2967 3112 1 1 1 1 1 1 1 1 4843 1 5507 2878 1 1 1 1 1 3766 2422 16117 15933 1 6925 1 1 4714 4378 8779 9122 5049 5206 5965 5557 1 4239 6226 6243 4312 4502 7978 8266 1 1 4357 4559 8557 1 1 7773 1 1 1 1 10987 11161 3889 3557 5265 4822 4602 1 4743 4343 1 3101 5387 5635 9146 1 3916 3937 3726 3501 6545 1 1 1 11281 11132 453.282 *453.7113* 453.7113@0.8469478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.7113 *453.9295* 453.9295@0.811195 1 1 1 1 1 1 1 1 1 1 1 5389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5112 1 1 1 1 1 1 1 1 1 1 1 1 4313 5464 1 1 453.9295 *453.9499* 453.9499@0.8196365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16366 16941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.9499 *453.9544* 453.9544@0.823343 1 1 1 1 1 1 1 1 1 1 1 1 9191 1 7856 1 9410 1 1 1 1 1 1 1 1 1 7820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8726 1 1 1 1 1 1 1 1 1 16084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.9544 *453.9643* 453.9643@0.85678965 1 1 6942 1 12212 1 1 13320 1 6710 1 1 1 1 8194 1 7226 6413 1 1 1 1 1 1 1 1 7605 1 13109 1 1 1 1 8526 1 1 1 1 1 1 17825 1 1 1 1 19040 1 1 1 7606 1 1 1 1 7887 1 1 7113 1 1 1 1 1 1 12645 1 1 1 1 8329 5814 1 1 1 1 1 8717 8926 1 1 1 1 8491 1 15181 16290 1 8396 6597 1 453.9643 *454.0845* 454.0845@5.048227 1 1 1 1 1 1 4463 4664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.0845 *454.1186* 454.1186@6.074386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 3862 1 1 1 1 454.1186 *454.1825* 454.1825@5.970431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2403 1 1 1 3512 2988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1825 *454.2237* 454.2237@6.6975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6299 6781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2237 *454.2524* 454.2524@6.9822354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2594 1 454.2524 *454.2544* 454.2544@8.246254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4117 5639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.2544 *454.3656* 454.3656@13.454488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3547 2800 1 1 1 1 1 1 4335 4843 3366 3375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.3656 *455.1919* 455.1919@5.022312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8310 8942 455.1919 *455.1919* 455.1919@5.162283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8114 8231 455.1919 *455.192* 455.192@5.6451797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4339 4639 455.192 *455.1924* 455.1924@5.5284915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2480 455.1924 *455.7079* 455.7079@0.8459906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.7079 *455.7981* 455.7981@0.84301174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.7981 *455.9977* C13 H12 O18 5134 4385 4080 3770 4229 3871 4147 4495 3026 3896 3216 4252 3158 3133 3644 3554 2867 3017 2980 2661 3303 3623 3086 3136 3368 3429 3142 3282 2974 3688 3303 3254 3398 3699 3685 3970 3264 3368 3755 3735 2934 2585 3812 3096 1 2912 3484 3850 2795 3349 3174 3210 3330 3234 1 2602 3178 2891 1 1 4039 3543 3423 3484 3105 3136 2993 2704 2452 2520 3475 3479 3144 1 2714 3514 3530 3865 3089 5008 2917 3004 4636 3916 4759 4076 3827 5132 3766 3050 455.9977 *455.9977* 455.9977@0.833984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 3197 1 1 2622 1 1 1 1 1 1 1 1 1 1 1 1 1 2917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.9977 *456.0029* 456.0029@0.88853395 1 1 1 1 1 1 3150 3705 1 2089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2851 1 1 1 2790 1 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5119 3434 1 1 2220 1 3116 3085 1 1 1 1 456.0029 *456.0166* 456.0166@4.0894036 1 1 1 1 4363 4317 1 1 1 1 1 1 1 1 3720 3491 1 1 4014 3927 4958 4074 1 1 2854 2284 4456 4085 2421 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3849 3859 1 1 1 1 1 1 3598 3355 3106 2723 1 1 1 1 2117 2047 1 1 2790 2361 1 1 1 1 2321 2987 456.0166 *456.1611* 456.1611@6.57224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57472 59655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.1611 *456.163* 456.163@6.7216005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2842886 2842284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.163 *456.1926* 456.1926@3.1780565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1357 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 1824 1844 1736 1 1 1436 1 1 1 1 1 1 1 1945 2038 1 1 1 1 1781 1868 1 1 1436 1559 1 1482 3521 4405 2384 1913 1308 1 2162 2421 1775 1603 1 1 456.1926 *456.252* 456.252@8.445446 1 1 1 1 1 1 1 1 7824 8527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17073 16015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 3796 1 1 1 1 1 1 1 1 1 1 1 1 4677 4759 4909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.252 *456.2845* 456.2845@13.10485 1 1 1 1 1 1 1 1 3885 3633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.2845 *456.3214* (22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epivitamin D3 / (22S)-1alpha,22,2 41359 41275 20625 21089 1 1 37541 39837 17590 15524 30584 30055 40693 41333 58002 54181 3323 2786 3682 3053 1 1 49074 48766 56073 48277 105402 94752 5554 191800 6466 5753 15422 16002 9379 8264 144339 143987 18395 18433 49787 48363 9146 9115 14881 14568 27171 28224 12576 12900 219616 217040 1 1 59951 60465 19466 18880 37149 37736 3376 3242 1 1 1 1 1 1 2951 3252 7678 7349 1 1 1 1 6878 7473 36783 35141 23499 23017 31906 31461 1 1 1 1 1 1 456.3214 *456.322* 456.322@13.6232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5919 1 1 1 1 1 1 1 1 1 1 1 1 207827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.322 *456.4141* 456.4141@6.7711053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.4141 *456.5422* 456.5422@6.7460246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.5422 *456.6841* 456.6841@6.739137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.6841 *456.7988* 456.7988@6.7111654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.7988 *456.8092* 456.8092@6.731591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 3576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.8092 *456.886* 456.886@6.728148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.886 *456.9352* 456.9352@6.7190485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.9352 *457.0085* 457.0085@6.7180495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.0085 *457.1825* 457.1825@3.7262998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3864 3545 1 1 1 1 457.1825 *457.207* 457.207@8.709753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242247 239631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.207 *457.4205* 457.4205@6.719103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5428 7976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.4205 *457.5222* 457.5222@6.71705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.5222 *457.6994* 457.6994@6.7180495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.6994 *457.7075* 457.7075@6.7261505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.7075 *457.9502* 457.9502@0.8100268 1 1 1957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.9502 *457.9577* 457.9577@0.81274086 1 1 1 1 2647 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 2212 4073 1 1 1 2164 2469 2406 4615 1 2512 2534 1 1 2920 2657 2388 2427 1 1 1 2450 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2334 1 1 3093 1 1 1 1 1 1 1 2145 2136 1 1 1 1 1 2845 1 2329 1 1 5311 1 1 1 1 4080 1 1 457.9577 *457.9658* 457.9658@6.713054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.9658 *457.9679* 457.9679@0.8150438 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.9679 *458.0569* 458.0569@5.4303193 25374 25466 1 1 1 1 1 1 1 1 20390 19794 1 1 1 1 1 1 3348 3278 8302 7726 1 1 1 1 1 1 1 1 1 1 1 1 36720 38446 1 1 1 1 1 1 1 1 3016 3316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30439 31595 1 1 1 1 1 1 1 1 1 1 1823 1756 1 1 35224 34573 1 1 458.0569 *458.0918* 458.0918@5.219512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13915 13975 1 1 1 1 458.0918 *458.0918* 458.0918@5.2819705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41474 40066 1 1 1 1 458.0918 *458.1402* C17 H18 N10 O6 1 4841 2595 2753 1 3294 7830 6977 1 1 1 1 4935 1 1 1 2331 1 6928 6693 6070 5167 4496 4564 4538 5112 4810 4145 3369 2678 1 4082 1 1 1 1 1 1 1 1 4894 3224 5153 1 5602 3543 2986 3358 3897 2679 3886 4760 4939 2815 1 1 5098 4380 3358 4352 1 1 1 1 1 3779 2645 4601 5124 3502 4000 2239 1 1 4233 1 1 3152 1 2527 3725 1 1 1 5130 5066 1 3270 6231 3102 458.1402 *458.2999* 458.2999@13.729946 1 1 13740 14781 1 1 5259 5383 15159 15972 1 1 5452 5266 16782 16368 1 1 3381 3585 1 1 1 1 1 1 3759 1 8264 8875 1 1 1 1 1 1 8844 8248 1 1 8302 8236 1 1 1 1 1 1 1 1 9512 9433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3800 3639 1 1 1 1 1 1 1 1 458.2999 *458.3003* 458.3003@13.286997 1 1 8125 8370 1 1 1 1 8450 1 1 1 1 1 8123 7977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9745 1 1 1 10614 11785 1 1 1 1 1 1 1 1 21606 21187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.3003 *458.3008* 458.3008@13.048796 1 1 3493 3364 1 1 3789 3488 2977 8466 1 1 1 1 3462 3012 1 1 1 1 1 1 1 1 1 1 3482 3548 8219 8483 1 1 1 1 1 1 3614 10000 1 1 3619 4149 1 1 1 1 1 1 1 1 5195 5611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5218 5688 1 1 1 1 1 1 1 1 458.3008 *458.357* 458.357@12.596157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4902 5033 1 1 1 1 1 1 1 1 1 1 2978 3074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.357 *459.874* 459.874@0.85599756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.874 *459.8799* C12 H6 Cl2 O11 S2 1977 1866 8998 2034 2066 10624 2194 3101 2476 3478 2405 1983 2045 2362 2255 1946 2158 2652 3751 2288 2525 2202 2279 3075 2449 8847 2371 10968 6980 2004 2623 2532 8858 2387 10788 9018 2023 2107 2101 6974 1984 2189 1988 2408 3810 2088 2042 3886 2136 2315 2158 2103 3726 3310 4222 2313 3862 4845 5550 2400 2169 2014 3051 5512 2387 3265 2534 2531 2233 2466 2539 2493 2005 1950 2231 3518 4258 4283 3481 2482 4272 2343 1929 2325 2638 2363 4597 2212 2026 2531 459.8799 *459.8825* 459.8825@0.8149693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 459.8825 *460.1159* 460.1159@1.2716188 3133 2774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2945 1 1 1 1 1 1 1 1 3121 2962 3026 2886 3315 1 2100 1 1 1 1 1 2426 1 1 1 1 1 1 1 1 1 2150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3157 1 1 1 1 1 4204 5995 3317 3870 5182 6257 4988 5130 1 2572 1 1 460.1159 *460.1864* 460.1864@8.38669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37638 36544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127586 128473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8671 8422 1 1 1 1 1 1 1 1 1 1 334111 331077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.1864 *460.1985* 460.1985@3.6807017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2402 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.1985 *460.2017* 460.2017@6.663967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4473 5087 1 1 1 1 1 1 1 1 460.2017 *460.2249* 460.2249@6.6762066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3387 3803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2653 2956 460.2249 *460.2478* TRIDESACETOXYKHIVORIN 5482 5904 8347 6734 6045 5881 11085 11249 11360 7410 7819 10547 10510 6413 7566 7376 8081 10859 5716 5477 5602 4276 13556 1 12436 12101 6540 6110 4138 6082 4801 4161 4200 4028 6423 1 3732 3585 3666 1 4099 3901 1 3414 3454 3513 3283 4664 6060 1 3354 1 6781 13908 4863 4923 1 1 1 1 2578 3038 9534 11658 3084 1 1 2781 1 1 2992 1 1 1 1 1 1 1 1 1 1 1 5530 1 1 1 1 8664 1 1 460.2478 *460.248* 460.248@11.247343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6418 1 1 1 1 1 1 1 1 5367 1 1 1 1 1 1 1 1 1 1 7381 1 1 1 1 1 1 1 1 1 1 1 1 7355 1 1 1 1 1 1 1 1 1 6480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.248 *460.2627* 460.2627@8.327333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2726 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2627 *460.3307* 460.3307@14.74674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4997 1 1 1 1 5692 1 4242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3307 *461.0701* 461.0701@3.5627947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8585 7941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.0701 *461.7381* 461.7381@0.8460589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.7381 *461.8851* 461.8851@0.8244716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 1 1 1 1 1 461.8851 *461.8926* 461.8926@0.8119797 1 1 1 1 1 1 1 1 1 1 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.8926 *461.9203* 461.9203@0.8109468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 4040 461.9203 *461.931* 461.931@0.8099588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.931 *462.0381* 462.0381@3.1259928 1 1 1 1 1 1 28210 28117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.0381 *462.08* 462.08@6.067089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25733 25091 462.08 *462.1279* C22 H26 N2 O5 S2 4550 4357 2791 3318 3925 4098 8511 8556 3278 3816 4555 4512 3525 3735 4277 3978 3817 3300 8082 7616 4078 4382 4596 4612 4329 4282 3946 4266 5661 5406 6934 6992 10710 9796 3754 2992 8810 9058 5035 4753 6912 7106 4980 4084 6378 6185 6849 7125 4802 4716 10501 10279 5218 5048 7103 8490 10279 10726 6037 5697 5825 6207 2884 3368 4604 4370 7545 7527 6235 5862 4903 4936 4344 3637 5206 5103 6396 7038 19159 19230 10343 11084 7856 8218 9485 9487 5913 6000 5486 5291 462.1279 *462.1633* 462.1633@10.631996 5712 5490 5174 6142 8962 5892 5614 5354 6047 4778 5196 4889 5562 5172 5158 5176 5024 5960 1 1 4551 1 1 7106 7320 1 6801 4639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.1633 *463.1811* Ritodrine glucuronide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3142 3460 1 2515 1 1 1 1 1 1 2792 2812 1 1 1 1 1 1 1 1 1 1 2321 1 1 1 1 1 1 1 1 1 1 1 3563 3720 5864 4935 1 1 1 1 2998 2828 1 1 1 2823 1 1 1 1 1 1 1 1 1 1 4804 4632 3849 3735 3318 3324 2907 3178 1 1 463.1811 *463.7371* 463.7371@0.8461034 1 1 3169 1 2691 2477 3141 3263 2799 1 1 1 3169 2849 2842 2803 3053 3110 2903 3181 2914 2777 2988 2835 1 3060 3069 2913 2729 1 2677 2690 2878 1 2579 1 2857 1 2714 2915 2836 3138 3077 3132 3490 3183 3001 3089 3503 3360 3156 3135 3361 4496 2950 3008 3278 3272 2684 2876 1 2595 2708 1 3310 3180 3506 3318 3624 4046 2749 3083 3589 2970 3126 3548 3516 3211 3448 3410 3528 3570 2997 3226 3300 3044 3214 2824 3196 3264 463.7371 *463.8882* 463.8882@0.8055058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1431 1 1 1410 1181 1 1 1 1 1 1 1471 1 1 1344 1748 1 1 1 1 1 1325 1082 1 1 1423 1838 1 1303 1 1 1502 1 1 1 1722 1 1 1 1 1324 1368 1446 1 1 1 1 1 1 1942 1 4046 1 1 1 1 1 1 1 2350 463.8882 *463.9793* 463.9793@7.9864664 1 1 1 1 1 1 10034 9580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.9793 *464.1638* 464.1638@7.9056807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17599 17467 1 1 1 1 1 1 1 1 464.1638 *464.1639* 464.1639@6.3684235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 2951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.1639 *464.2044* 464.2044@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.2044 *464.3468* 464.3468@13.6665535 1 1 1 1 4255 4243 1 1 3876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3535 3597 4531 5413 1 1 7207 4418 1 1 8940 9303 1 1 1 1 1 1 1 1 1 1 4943 4764 3965 1 1 1 1 1 3921 1 3156 1 4722 4292 1 1 9124 8657 1 1 4421 1 1 1 1 1 1 1 6462 6440 1 1 1 1 5996 5232 1 1 1 1 1 1 464.3468 *465.1318* 465.1318@0.9136458 1 4143 3216 3262 4344 4261 5882 6110 4141 4152 1 1 4022 3991 1 1 1 1 6518 6349 5076 3998 4494 4774 1 1 4328 4381 4345 4346 1 1 1 1 1 1 1 1 1 1 3627 3578 1 1 2975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3056 1 1 1 1 1 1 1 1 3099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4744 1 465.1318 *465.1489* 465.1489@4.3282814 1 1 1 1 4209 4523 10434 10642 1 1 7164 7290 4241 4194 1 1 3344 3295 1856 2611 1 1 1 1 5387 5313 1 1 3671 3562 1 1 7522 7096 1789 2228 1 1913 1 1 1746 2177 1 1 4056 3921 1 1 3461 3174 1793 2338 1 1 1 1 1 1 1 1 1642 1 1 1 11118 11611 14589 14303 1 1 4710 4751 1409 1477 1 1 3153 3379 2033 2333 10397 10611 1 1 4986 4860 6567 5846 1 1 465.1489 *465.198* 465.198@6.884548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5256 5352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.198 *465.3057* 465.3057@6.690588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3278 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 2865 7847 7628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.3057 *465.306* 465.306@7.5990267 1 1 1 1 7100 7114 3602 4005 1 1 1 1 1 1 4052 4091 98915 99144 3529 3427 1 1 8024 7775 1 1 1 1 1 1 12486 12351 1 1 3103 2935 1 1 1 1 1 1 1 1 1 1 1 1 12301 11978 1 1 1 1 1 1 1 1 13351 14059 10669 10592 1 1 1 1 1 1 18451 16870 10319 9663 1 1 3359 3217 1 1 5153 4889 4829 5146 1 1 1 1 17374 17492 1 1 465.306 *465.7377* 465.7377@0.84598184 1 1 1 1 1 1 2875 1 2241 1 1 1 1 2395 1 1 4022 1 1 2659 1 1 1 2364 1 1 1 1 1 1 1 1 1 1 1 1 2498 1 1 1 1 1 1 1 2840 2811 1 1 1 2552 1 1 2589 2881 1 2428 1 3990 1 1 1 1 1 1 2381 1 4242 1 3066 2900 3959 1 1 1 1 2643 2768 2819 1 1 4574 2886 1 1 2533 1 1 1 2559 2901 465.7377 *465.9957* 465.9957@0.8049131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 465.9957 *466.0567* 466.0567@5.1233373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4828 1 1 1 1 1 466.0567 *466.0581* 466.0581@5.155052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9587 13633 1 1 1 1 466.0581 *466.1214* 466.1214@0.92200434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1214 *466.1285* S-(p-Azidophenacyl)glutathione 1 10498 9454 7827 10630 12835 15402 16616 9186 1 1 12226 11514 10340 4069 6222 1 8276 1 1 10215 12197 1 13100 8174 3415 10301 11210 5605 9647 1 1 1 1 1 1 6464 1 5159 5328 8277 1 6337 1 8776 1 1 1 1 7212 10267 1 1 1 1 1 9111 8630 6996 6812 1 1 1 5759 6804 1 1 1 7150 6644 1 7562 5323 5429 7932 8666 1 1 1 6007 6778 6507 1 1 10442 1 1 7360 1 1 C11315 466.1285 *466.2525* 466.2525@6.6775255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 466.2525 *466.2527* 466.2527@7.570794 1 1 1 1 1 1 5474 6333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4319 4495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4597 4091 1 1 1 1 1 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2527 *466.253* 466.253@8.076114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4922 5077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.253 *466.2538* 466.2538@7.639353 1 1 1 1 1 1 6449 6174 1 1 1 1 1 1 1 1 1 1 2976 2347 1 1 1 1 1 1 1 1 1 1 1 1 7903 8197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4171 4404 1 1 1 1 1 2482 3378 3765 1 1 1 1 1 1 1 1 1 1 1 1 3465 3370 1 1 1 1 1 1 1 1 1 1 466.2538 *466.31* 466.31@14.071261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2692 1 1 1 1 1 1 1 6063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8431 1 466.31 *466.3107* Cholesterol sulfate 3522 1 6468 6119 1 1 8447 8798 5154 5272 1 1 1 1 1 1 5914 5750 5106 1 1 1 1 1 1 1 4923 5354 5084 2582 7954 7807 9632 8273 1 1 14182 14581 9524 9315 7742 8169 6193 4751 7492 8244 9595 10238 1 1 11289 4285 5290 1 1 6805 3907 1 1 1 8109 9072 1 1 1 8518 1 1 7229 7959 1 4633 1 7083 6703 1 8715 9528 4442 11287 7587 7396 9767 8065 3810 12443 1 1 3938 14897 HMDB00653 466.3107 *466.3195* 466.3195@14.106577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5133 9343 1 1 1 1 1 1 1 1 6777 3439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3195 *466.3267* 466.3267@8.235948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4014 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3267 *466.3619* 466.3619@12.768592 1 1 1 1 1 5519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4769 1 1 1 1 1 4989 5273 6668 1 5381 1 1 1 4021 6448 6812 6249 6904 1 1 1 1 1 1 3865 3275 4755 3927 1 1 1 1 6235 6020 1 1 3660 1 1 1 1 1 8777 10992 4878 4753 1 1 3598 1 1 1 1 1 4027 1 1 1 1 5660 5675 4271 1 1 1 1 466.3619 *466.3628* 466.3628@13.256439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 3071 4657 4198 1 1 1 3781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3062 3672 1 1 1 1 1 1 5577 5573 3549 3948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3628 *466.3634* 466.3634@12.802835 1 1 1 1 1 1 1 1 1 1 4071 3713 1 1 1 1 1 1 1 1 1 1 4397 1 1 1 1 1 6835 2147 1 1 4788 1 1 1 5459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5057 5009 1 5157 1 1 1 1 1 1 1 1 1 1 466.3634 *467.0527* 467.0527@5.451379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7712 8042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.0527 *467.9425* 467.9425@0.86647505 1 1 1 1 1 24506 5038 1 1 1 18840 1 20755 1 1 1 5624 1 1 1 1 1 1 1 16283 1 1 1 1 14644 7767 1 1 1 1 1 1 1 24879 8296 1 1 1 1 1 1 1 1 1 1 1 1 12111 7973 1 20663 1 6721 6374 7451 1 1 8774 1 7481 13241 1 1 11073 6215 1 1 1 19917 1 1 15167 1 1 7126 1 13306 14382 1 5632 7776 7567 16970 1 1 467.9425 *467.9426* C11 H10 Cl2 N8 O3 S3 15593 30030 24745 27001 28880 1 6211 21723 26946 7063 6933 32680 7290 25457 28946 14551 7214 13602 26301 25485 27465 13121 27427 25023 7595 20526 15108 25648 30317 13933 21067 29424 29352 28055 33135 33422 31026 29365 1 9319 14680 15448 27063 26992 21841 26840 26514 25005 28199 28045 26757 26081 13056 7309 25935 1 28286 9270 17397 20126 34688 36658 24723 35902 7082 14116 23498 26369 12325 6168 23838 23855 26538 7627 25583 27901 7131 28831 15560 7287 26887 14270 17361 16163 8218 7209 8526 16550 24864 27672 467.9426 *468.3764* 468.3764@13.737666 1 1 1 1 1 1 1 1 1 1 20251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 1 1 14499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8872 1 1 1 1 1 1 6538 1 1 1 1 1 1 1 1 1 1 1 1 5056 1 1 1 1 1 1 1 1 1 1 468.3764 *468.3776* C32 H52 S 1 1 1 1 7476 7109 1 1 11436 8259 2690 3891 1 1 1 1 1 1 5417 1 1 1 1 1 1 1 7052 5932 7214 2979 4684 5820 1 1 1 1 1 13417 4019 4829 9180 6688 1 1 1 6730 4708 5385 7945 5782 11414 9834 1 12580 1 4888 14736 11088 9702 1 17500 17798 1 1 25963 25838 1 6919 7531 10810 1 1 4497 1 1 1 6708 7191 5637 1 1 4411 12875 9843 1 1 5199 1 1 1 468.3776 *468.3776* C32 H52 S - 14.054482 1 1 1 1 1 13288 1 1 1 1 8681 1 1 1 6873 6300 1 1 1 1 1 1 1 1 5296 5849 7494 1 17530 11515 1 1 1 4328 1 1 1 18421 1 10103 16252 1 1 1 1 1 1 2730 1 13324 8505 1 1 1 9788 1 22504 24185 1 5446 15434 1 4218 1 3912 4425 1 1 1 1 1 2749 10583 1 1 7267 1 1 8890 9390 4741 1 1 1 4747 8336 6949 1 1 4323 468.3776 *468.3781* C32 H52 S - 14.028567 1 1 1 1 12981 1 1 1 16611 13957 8090 12113 1 1 6196 5404 1 1 1 3586 1 1 8216 7290 1 1 1 7089 1 5529 14562 15190 15783 10393 1 1 18462 1 10195 1 1 16888 1 1 13449 12954 9243 6409 13106 1 18052 19356 5995 5907 1 9684 23805 26389 11437 11152 1 15468 1 5023 7407 12176 12899 11573 18137 17032 1 1 1 11624 7516 1 13508 12847 1 1 1 5893 18053 20409 8724 1 1 5557 1 1 468.3781 *468.3781* C32 H52 S - 14.135342 1 1 1 1 10008 10224 1 1 8916 9342 4202 9017 1 1 1 1 1 1 1 1 5435 6408 6476 5613 3422 3839 4603 4113 21441 21357 17793 16667 21771 22812 1 1 13832 14754 9574 10288 10063 10381 1 1 19003 17972 4799 5691 3316 3705 1 7834 1 1 6501 5476 3659 3420 5015 1 4331 3593 1 1 2953 1 22599 24159 14823 14851 3168 1 7269 7794 1 1 13127 14222 11998 10927 1 1 7295 7476 1 4199 1 1 6507 6770 468.3781 *468.3784* C32 H52 S - 13.822617 12467 9706 11381 11423 30787 31632 8435 8257 31074 32545 1590 22623 7920 7033 12361 12376 4620 4381 14922 17853 10975 12930 17999 16943 14034 16621 18086 17726 31811 33113 25193 22652 23428 28821 1 1 35866 36317 27620 28386 37302 38201 8402 8351 18499 19192 20775 21001 39462 39145 47593 47626 15599 2692 23030 23209 48516 52477 28993 29770 40528 40470 12667 11789 35283 34034 25413 24604 36448 35628 10058 10956 22320 25150 16425 15463 24657 23297 18492 19331 15219 14359 46775 45850 23202 22217 13695 12934 14195 13574 468.3784 *468.9452* 468.9452@3.837366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.9452 *469.0994* 469.0994@3.4887788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.0994 *469.3809* 469.3809@14.058894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3809 *469.3817* 469.3817@14.051292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2199 1 1 1 1 1 1 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3817 *469.6914* 469.6914@0.8519473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.6914 *469.9202* 469.9202@0.81795603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.9202 *469.9283* 469.9283@0.8204535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7272 1 1 1 1 1 1 1 1 1 1 1 1 12732 1 1 1 1 1 1 469.9283 *469.9359* 469.9359@0.8249704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7430 1 1 1 1 1 1 1 7136 1 1 1 469.9359 *469.9369* 469.9369@0.843333 12620 1 1 1 1 4687 7721 1 1 11270 8307 1 1 1 1 11327 10277 4988 1 1 1 10471 1 1 1 4614 5039 1 1 1 1 1 1 1 1 1 1 1 6016 13623 11364 14068 1 1 7248 1 1 5060 1 1 1 1 1 10828 1 4888 1 10246 7224 1 1 1 1 1 13539 1 1 1 1 9966 1 1 1 1 1 1 6223 1 7788 11366 1 1 1 13600 10191 9672 7138 1 1 1 469.9369 *470.1754* 470.1754@7.7844915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 4738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.1754 *470.1771* 470.1771@7.7849817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4336 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.1771 *470.1864* 470.1864@7.0672326 1 1 1 1 1 1 1 1 1 1 1 1 6294 6695 1 1 1 1 1 1 1 1 6488 6948 1 1 1 1 1 1 1 1 4349 3836 3779 4155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3330 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.1864 *470.2276* 470.2276@7.14295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4299 4663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.2276 *470.3369* 470.3369@12.523564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.3369 *470.3684* 470.3684@8.980434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 3655 1 1 470.3684 *471.1316* 471.1316@5.50521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 2302 471.1316 *471.6855* 471.6855@0.84199065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.6855 *471.7684* C8 H2 Cl2 O9 S5 2105 1 2658 3830 1 1 1 2595 2648 1 1 1 1 1 1 1 2908 1 2820 2889 4118 2376 1 1 4388 2848 4777 1 1 5720 1 1 1 1 1 1 1 1 1 1 4305 1 1 1 3012 1 1 1 3072 2860 7019 1 3053 1 3038 2629 2596 2821 1 1 1 1 1 1 7717 4118 3034 10254 5263 1 1 1 2889 2835 2818 1 3133 6019 1 1 8761 3165 1 2877 2904 4845 1 1 1 1 471.7684 *471.9097* C14 H8 N4 O5 S5 3560 2182 2113 2394 2130 3514 2745 3702 3072 2741 1873 1775 2167 2324 2778 3750 2969 2138 3331 3140 1565 1568 2225 2277 2163 1857 2403 2176 2717 2264 2666 2476 2120 3712 2134 3857 1988 2193 2753 2088 1906 2007 3381 2132 1 2064 2387 3924 3066 2777 2608 2008 1983 2825 2184 2048 4001 2366 2234 3559 1998 2093 1959 3881 1865 1687 1 1770 2143 2153 1866 2113 2440 2077 2463 2452 2030 2557 2274 2089 3745 2141 2069 2212 1893 2219 2305 2440 1919 1877 471.9097 *471.9513* 471.9513@0.8230355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.9513 *471.9565* 471.9565@0.8265029 1 1 1 1 1 1 1 1 1 2871 1 1 1 2757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.9565 *471.9834* 471.9834@0.81099385 1 1 1 1 2275 1 1 1 1 1 2621 1 1 1 1 1 1 1 1898 1 1 1 1 1 1 2258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 2468 2410 1 3116 1 1 1 1 1 2148 1 1 1 1 471.9834 *472.2493* 472.2493@4.7349277 1 1 1 1 1 1 1 1 1 1 1 1 22941 22688 1 1 8426 8022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2493 *472.3164* 472.3164@10.914771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4306 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3164 *472.3172* 472.3172@13.763219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9866 3504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3172 *472.3174* 472.3174@13.826277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6435 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4678 11555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3174 *472.3192* 472.3192@13.45683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6741 5094 1 1 1 1 1 1 5986 5811 1 1 1 1 1 1 1 1 1 1 1 1 5676 5774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3192 *472.9839* 472.9839@3.8649707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.9839 *473.018* 473.018@6.258877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3182 3932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3393 3868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.018 *473.1205* 473.1205@7.023985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11059 11200 1 1 11898 11092 1 1 1 1 1 1 1 1 1 1 13754 13332 35091 35656 5184 5213 1 1 1 1 20268 20217 1 1 3165 3264 1 1 1 1 1 1 74337 73425 1 1 1 1 7913 8235 1 1 1 1 1 1 1 1 17425 18479 6797 7161 1 1 1 1 1 1 1 1 473.1205 *473.7671* C11 H Cl3 N2 O3 S5 2917 2800 1 3748 5547 5314 1 4086 1 3498 1 2684 1 9414 3934 1 1 1 1 1 3733 1 3537 5447 3966 4519 1 3571 3736 1364 6654 3354 4166 1 8025 3482 5231 1 3739 4447 3783 3782 3940 4218 5623 1 4127 1 4406 1 4073 7445 4256 1 1 4552 1 4096 3851 3941 5778 3003 3290 3511 6625 3693 4215 4589 5097 1 3824 6999 4733 4890 4108 1 7306 4281 4552 4096 4412 4581 3955 4183 7964 8678 4193 3802 4096 4214 473.7671 *473.7675* 473.7675@0.8441483 1 1 4077 1 1 1 4019 1 3686 1 1 1 3874 1 1 3798 5781 4069 4122 4089 1 3954 1 1 1 1 4213 1 1 2388 1 1 1 3485 1 1 1 6661 1 1 1 1 1 1 1 4463 1 3649 1 4428 1 1 1 4299 4060 1 4674 1 1 1 1 1 1 1 1 1 1 1 1 6342 1 1 1 1 1 4458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.7675 *473.9491* 473.9491@0.8703127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.9491 *473.9516* C10 H12 Cl2 N8 O4 S3 43436 43476 41185 42334 50102 41963 36702 35709 41029 41492 44636 36314 40891 39947 42848 41952 38343 39824 40090 39762 43031 41425 42102 42022 47971 39392 35224 1 42186 33466 45259 38978 41015 41074 48487 41695 40675 41111 42328 40615 40782 49008 40595 39881 42161 1 39169 47512 43313 42354 41705 41522 38252 39096 45237 37592 43416 37226 39444 46889 41174 40036 33902 41584 39479 38779 44868 45639 29635 44540 20824 37399 40945 45121 40631 39530 40517 41506 38062 36481 47068 1 40998 42119 23277 38551 36805 40083 41445 41963 473.9516 *474.0016* 474.0016@4.8005996 1 1 1 1 1 1 3793 3586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2408 2930 1 1 1 1 2444 2444 1 1 1 1 1 1 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2523 2890 5219 4951 1 1 474.0016 *474.1112* 474.1112@6.643174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4638 4027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.1112 *474.1837* C17 H22 N12 O5 5726 5048 4655 5211 7520 6893 4122 3628 5527 5225 3468 3644 6403 6150 4583 4345 4105 4149 3324 3422 4247 4009 3432 3018 4308 4417 3740 3036 4022 3874 3225 3847 2842 2960 2677 1 3529 3888 4688 4401 4147 3950 4876 4918 2920 1 4026 3942 1 1734 3358 3835 1 2919 3247 2976 2870 1 1 1 1 1 1 1 1 1 3201 3504 1 2206 3825 3696 2360 1 2695 1 1 1 1 1 1 1 1 2687 1 1 1 1 1 1 474.1837 *474.1917* 474.1917@13.482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.1917 *474.1971* 474.1971@6.7244105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5796 5706 1 1 1 1 1 1 1 1 474.1971 *474.281* 474.281@9.018913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7250 7615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.281 *474.2869* C26 H34 N8 O 1 1 1 1 1 1 4350 1 1 1 1 1 1 1 1 1 1 1 1 1 5851 6691 1 1 1 1 1 1 7475 4877 6219 6294 1 5273 1 1 8861 8698 5642 5769 1 6079 6695 5708 6560 6785 5462 1 1 1 7545 7383 1 1 1 5085 7094 7282 6812 7044 3694 1 1 1 5147 5097 6201 6900 6645 5983 1 4241 5472 5716 1 1 5264 1 5836 5321 5514 5213 5777 6602 7008 7578 5253 1 9813 9654 474.2869 *474.3312* 474.3312@11.39254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6023 5799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3312 *474.3314* 474.3314@11.28898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9065 9106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3314 *474.3527* 474.3527@13.541086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4815 5147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3527 *474.3663* 474.3663@14.198318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8254 8333 1 1 1 1 6851 6667 1 10393 1 1 1 1 1 1 10325 1 1 1 11871 1 1 1 1 1 1 1 6745 6782 1 1 1 1 8561 6952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6049 1 1 1 7406 8032 474.3663 *474.3669* 474.3669@14.231992 1 1 1 1 1 6908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25198 24101 10296 1 1 1 1 1 1 1 1 7933 1 1 1 13018 1 1 1 1 9439 6071 1 1 1 1 1 1 16025 17691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3669 *474.3681* 474.3681@13.986294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7084 8467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6140 7270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3681 *474.369* 474.369@14.376949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8412 7642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.369 *475.1744* Tyr Tyr Met 2754 3264 2875 3050 3512 3870 4708 4256 3746 3476 3127 3428 3739 3641 4114 3612 3349 3447 3175 3955 1 1 4096 4043 4757 5051 2771 3213 3615 3838 4088 3558 4743 4840 1 2436 3546 3469 2797 2781 4131 4078 4169 4072 2728 2869 2988 2614 4267 4743 3499 3935 4063 3615 3081 2863 4702 4614 5066 4793 4877 4615 3366 3619 3965 3745 4578 4806 4392 4428 4279 4093 4361 4617 4234 4626 5213 5055 5540 5227 3851 3645 7819 8129 3771 4093 4515 4254 1 2934 475.1744 *475.7658* 475.7658@0.8444464 1 1 3890 2881 1 1 3054 8198 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 2934 2572 2558 1 1 4477 1 1 1 1 1 1 5130 3098 1 1 1 1 2658 3617 3022 4997 1 2711 3245 1 1 1 4309 3104 3028 1 2713 1 1 1 1 1 1 1 1 1 3017 3020 4272 3188 1 1 1 2857 3183 1 2783 1 4080 2645 5970 1 1 1 1 1 1 1 2771 2984 475.7658 *475.9486* 475.9486@0.85730356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7677 1 1 1 1 1 1 1 7570 1 1 1 1 1 1 1 1 1 1 1 1 1 15740 1 4040 1 1 1 475.9486 *475.9501* 475.9501@0.86994904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.9501 *476.1993* C17 H24 N12 O5 38711 38136 36512 35038 23391 23077 18834 19041 30231 29984 14635 14308 27737 26167 22054 20637 19042 18979 20278 19436 16414 16104 9873 9071 16106 15435 14688 14024 13175 12706 14594 14378 12628 12508 14082 14496 27758 27941 15470 14991 19357 19349 14899 13617 9532 9482 13356 13200 10959 10816 13567 13649 15004 15157 14440 14242 11968 12282 8600 9142 10983 10798 9159 9545 13713 13298 15707 16342 9535 8570 15238 16333 7289 7087 8518 8271 10032 10318 4445 5011 11127 11247 9494 8607 11014 11355 8676 8219 13440 13271 476.1993 *476.2141* C21 H32 N8 O S2 1 3426 4235 3877 3007 2994 4548 4591 4349 4143 4215 4985 3311 2966 3268 2732 4750 4387 3895 3857 4147 3150 8341 7929 4459 4836 3874 4367 6191 5927 3303 2876 7425 7126 1 1 2103 1 1 1 9483 9594 2643 1978 3896 4332 3708 4187 7220 6804 10254 10556 8085 7468 6602 6701 5300 5401 3432 3150 8453 8569 6189 6083 4859 4659 12033 12421 3380 3509 7213 7274 7432 7555 11051 10321 3936 3846 8938 9726 4134 3866 9827 9659 7664 7697 8294 8490 10560 10058 476.2141 *476.3312* 476.3312@9.469634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3653 3751 1 1 1 1 1 1 1 1 1 1 2602 2329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6113 6190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.3312 *477.1964* 477.1964@4.5955243 1 1 1 1 1 1 2554 2555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.1964 *477.2825* Arg Phe Arg 8955 8950 8781 8457 9211 9247 24140 25918 8627 8970 11323 10664 9133 9083 9965 10729 13430 14543 8136 7918 11496 11428 11340 11223 5936 5675 8463 8792 11637 10968 37011 36371 32468 32546 5075 5368 22830 22153 18000 17241 36717 36699 8212 8064 9304 9658 18870 19388 18778 19083 21300 22416 11976 11968 14909 15337 33553 31347 17635 17396 30482 31106 9162 9672 11796 11981 13450 14303 19777 20686 9642 10376 16720 16734 19944 18831 13883 12985 16303 16874 10375 10907 12026 12523 24930 24370 9234 8699 26212 26110 477.2825 *477.2828* 477.2828@10.423117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 2960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.2828 *477.283* 477.283@10.663402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.283 *477.9689* C13 H14 N6 O4 S5 9155 8517 1 6983 1 7952 7554 1 6303 6458 1 6442 7412 6189 6100 6881 1 6374 6171 5982 7548 6225 7737 6471 1 6318 7608 1 8337 1 1 4938 8097 7887 1 7305 6776 7980 7082 7081 7016 1 7498 6426 1 5012 7224 1 6723 6947 6022 8318 1 7166 1 5385 1 6922 6064 1 7502 8209 7611 7958 4629 6636 1 1 5496 1 6419 1 6109 1 6065 1 1 7525 8487 6847 1 1 8140 8713 6268 7868 8438 8221 7074 5862 477.9689 *478.1424* 478.1424@6.7710533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53875 56479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1424 *478.1428* 478.1428@6.6986217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17080 16999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1428 *478.143* 478.143@6.570242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 2941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.143 *478.1896* 478.1896@3.6500926 1 1 1 1 1 1 1 1 1 1 1 1 1386 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.1896 *478.3945* 478.3945@13.083649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2213 478.3945 *479.298* C29 H41 N3 O S 3730 4100 3145 3275 4865 5309 10283 10560 5230 5181 3822 3974 1 1 4895 5196 3119 3237 5194 5378 1 1 3551 3921 1 1 1 1 4483 5103 17667 17026 10298 10292 1 1 9504 9604 8123 8023 8587 8511 5204 5486 3846 4174 9053 8912 6655 6456 11509 11799 3571 3269 4939 4707 16746 17297 6045 6079 19452 19429 3652 3244 12072 12042 8323 7552 11323 11276 5721 5132 7547 7280 4507 5074 9408 9135 6493 5833 3976 3625 5202 5653 7569 7543 3563 3086 10283 8853 479.298 *479.7164* 479.7164@0.84651303 1 1 2677 2742 1 2540 2958 1 2983 3116 1 2420 1 2975 2848 1 1 2989 1 2557 2633 2678 2764 2790 2897 1 2924 2814 2908 2794 2729 2866 2821 2883 2759 2720 1 3081 2661 1 2993 1 2970 1 2957 1 2897 3130 3124 2898 2899 2769 1 3245 3196 1 3027 2960 1 1 1 1 3077 1 1 2959 1 2829 3129 3007 1 2722 2698 2894 3099 3170 1 3216 3139 1 3272 2719 2692 2937 2997 2800 3432 1 1 3125 479.7164 *479.9615* 479.9615@0.81296825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2125 1 479.9615 *480.1364* C21 H21 Cl N10 S 6110 5361 4363 2794 3691 5332 6920 7570 4339 4054 3469 7079 5641 4455 6238 5848 1 1 6458 2684 6982 7344 7117 8688 4292 3418 4595 6667 8317 7428 1 1 1 1 1 1 1 1 1 1 3588 1 5453 4466 1 1 2393 3153 1 1 3528 1 1 1 1 1 1 1 3485 4718 3912 1 1 3445 1 2472 1 1 1 1 3111 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 4104 1 3810 5019 5374 480.1364 *480.1763* C24 H28 N6 O S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3972 3709 4208 3696 1 1 1 1 6941 7436 1 1 14053 15408 1 1 4333 4300 3399 1 1 3390 3936 3957 1 1 1 1 1 1 6672 6781 1 1 1 1 14288 15053 8651 8970 1 1 1 1 7691 7577 1 1 3360 3432 12133 12263 1 1 1 1 1 3831 12175 12350 1 3397 11715 11713 7476 7945 5058 4948 1 1 480.1763 *480.2677* 480.2677@6.445161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 4203 1 1 1 1 1 1 1 1 1 1 1 1 4034 4097 7028 7107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3283 3264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2677 *481.1379* 481.1379@2.8921947 1 1 1 1 1 1 3512 3804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 481.1379 *481.3133* C29 H43 N3 O S 4534 4959 3835 3744 5151 5699 3699 4588 1 1 3926 3515 4222 4425 3400 2745 1 1 6440 6568 6674 6872 3857 4024 1 2775 4249 4599 7989 7680 11941 11449 10325 10363 1 1 8093 8605 14744 14425 6864 6627 9987 8892 7941 7488 10367 10193 4637 4986 11027 10845 3372 3376 6858 6850 11616 11118 12214 12330 5427 5384 1 1 11151 11276 5627 5664 10608 10625 5002 5238 8486 8436 4280 4363 7187 7057 10059 9548 6913 6547 6830 7521 13766 14187 1 3078 19616 17718 481.3133 *481.3142* C25 H43 N3 O6 3524 3679 1 1 1 1 5156 5354 1 1 1 1 1 1 1 1 1 1 4374 4231 4801 4887 1 1 1 1 1 1 3208 1 14814 13979 7259 7354 1 1 5416 5400 12007 11621 5581 6121 7619 6950 1 1 7512 7298 4642 4178 9765 9644 1 1 4482 4190 9215 7665 7684 7505 3121 3690 1 1 7062 7478 3018 3019 5560 5654 4285 3543 5390 4953 4044 4073 5309 5222 7114 6995 3611 3616 4182 1 7978 8195 1 1 15471 15394 481.3142 *481.7118* 481.7118@0.84692377 1 1744 1 1 1 1 2456 1999 1 1 1 1 1 1 1 2274 1 2273 1 2502 1 1 1 2255 2582 1 1 1 1 1 1 2026 2310 1 2502 1 1 1 1 1746 2519 2428 1 1 1 2197 1 1 1 1 2533 1 2554 2652 2413 1 1 1 2167 1 2422 2485 1 1 2629 1 1 2765 1 2773 1 2217 1 2515 1 2802 1 1 2654 2450 2470 2253 1 1 2541 1 2238 1 1 2343 481.7118 *481.796* C10 H Cl3 O12 S2 1 2856 3703 3631 3316 1 1 3947 3527 3513 1 1 3601 3511 3723 3383 3734 3817 3862 3618 3430 3582 3573 3399 3699 4141 4899 3816 3609 5494 3422 5186 3572 3168 1 3290 6716 5550 3278 3156 3593 3671 3762 3596 3938 3717 3761 3458 4238 4034 3771 4088 3959 4072 1 3832 3888 3842 3773 3824 8109 3153 3161 1 3802 4705 3991 4207 4536 4335 3651 5557 3847 3704 3951 3630 4006 4087 3779 3641 4418 4375 3508 3556 5109 3806 3567 3399 4405 4019 481.796 *481.9735* 481.9735@0.8034973 1407 1583 1196 1 1 1 1 1 1 1 1 1531 1097 1 1381 1 1 1 1 1 1 1 1261 1 1 1 1 1364 1 1 1 1157 1 1 1 1316 1 1 1 1386 1 1 1 1409 1274 1 1 1 1298 1 1 1 1 1 1 1136 1 1103 1262 1 1 1460 1 1 1 1162 1161 1 1 1 1 1149 1484 1 1 1 1 1 1253 1269 1 1 1617 1504 1 1 1520 1580 1 1300 481.9735 *482.0528* 482.0528@5.276474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6866 7675 1 1 1 1 482.0528 *482.0529* 482.0529@5.2215104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 2004 1 1 1 1 482.0529 *482.126* 482.126@0.93405336 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.126 *482.1686* 482.1686@8.38794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74642 73164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161656 161430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15324 15393 1 1 1 1 1 1 1 1 1 1 290232 279152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1686 *482.1916* 482.1916@7.192272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4708 4473 3729 4189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.1916 *482.1924* 482.1924@7.3860073 1 1 1 1 1 1 5886 5027 1 1 1 1 1 1 1 1 1 1 1 1 3878 3253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3250 1 1 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 3772 1 1 1 19900 19962 9721 9812 1 1 1 1 1 1 1 1 1 1 1 3077 6946 6711 1 1 7365 7137 4550 4438 1 1 1 1 482.1924 *482.2488* 482.2488@6.674362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3417 3489 1 1 1 1 482.2488 *482.2501* C21 H34 N6 O7 1 1 1 1 1 1 4056 4179 3087 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3392 3481 1 2684 4908 5107 1 1 4209 4326 1 2128 1 1 1 1 1 1 1 1 1 1 2231 2332 4078 3861 2724 2983 1 1 1 1 2649 1 1 1 3916 4077 4288 4518 1 1 4392 4301 1 1 1 1 2560 2859 5476 5159 3187 3370 3041 2998 3187 3302 1 1 5743 5617 482.2501 *482.285* 482.285@8.844458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3531 3107 1 1 47463 54237 1 1 1 1 19094 17444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.285 *482.3355* 482.3355@13.837727 1 1 1 1 6511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6148 1 1 1 1 1 1 7121 1 1 3923 7435 1 1 8465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7932 1 1 1 1 1 1 8017 1 1 1 1 7046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3355 *482.3369* C27 H50 N2 O S2 6066 6678 6729 6322 1 7603 6207 6406 7762 7626 7337 7678 6843 7082 7062 7240 6885 5772 6449 1 6667 7365 7564 7371 7472 7393 1 6401 6621 2337 1 8691 8501 1 7375 8760 10279 8505 8570 8912 9317 10253 9539 8187 8665 6562 9935 9091 8107 9986 9346 9159 9156 9015 9602 9009 10028 9066 7894 8046 8876 9300 8178 1 7691 8351 8490 8387 8541 7872 1 8269 8986 8508 8349 1 8723 8913 9057 8952 7954 7826 9474 9062 8658 8590 8648 8176 8835 8209 482.3369 *482.3582* 482.3582@12.186227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3582 *483.7959* C10 H3 Cl3 O10 S3 3458 3426 1 4434 3841 4094 1 4447 4059 3933 3248 2957 4490 4311 4127 4008 4475 4316 4498 4544 4320 4399 4169 4623 4543 4475 4401 4050 3768 4002 3783 3765 1 3853 4178 3722 4590 4406 3877 3983 4692 4451 4845 4212 4921 4875 4265 4349 4963 4802 4489 4758 4929 4450 4650 4957 4113 4402 4244 4351 3493 3572 3744 3423 4255 4137 5372 5038 5485 5581 4110 4147 4718 4642 4816 4720 4888 4942 4118 4253 5191 5179 4237 4131 4420 4686 4548 3869 4495 4514 483.7959 *483.9382* 483.9382@0.86304754 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.9382 *483.9507* 483.9507@0.8664788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2650 1 1 1 1 2087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.9507 *483.9605* 483.9605@0.86758125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3498 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1861 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3300 1 1 483.9605 *483.9788* C14 H9 Cl N8 O6 S2 20544 20424 13690 16475 14498 12171 12356 13492 13826 13896 13271 15718 14426 15681 14546 14470 14514 12983 14240 13928 15769 17000 15628 13455 12861 15028 15991 16824 16164 12141 11811 10359 15849 16150 15717 13514 14000 15382 15398 12902 15303 11506 15018 15462 12812 11356 12819 14592 14411 14481 14827 15335 10741 10603 11713 14373 10007 10011 11804 12845 12292 13542 14683 16173 14698 10903 14348 14306 12802 11769 15137 14271 14484 13795 14803 14362 14056 16330 9708 12092 12846 12920 17198 16335 11196 12447 8684 11706 12573 15979 483.9788 *484.0197* 484.0197@3.137723 6804 6429 1 1 1 1 45902 44664 1 1 1 1 8962 9848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9675 9957 1 1 1 1 1 1 1 1 1 1 14734 15180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20312 20542 484.0197 *484.113* 484.113@4.811755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 1 1 1 484.113 *484.1583* 484.1583@6.7180495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.1583 *484.3727* 484.3727@12.745894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 4627 1 3345 1 1 1 3585 1 1 1 1 1 1 6007 5320 1 1 1 1 1 1 1 1 1 1 5134 5173 1 1 1 1 1 1 1 1 3533 3727 1 1 1 1 1 1 1 1 3070 1 1 1 1 1 1 1 1 1 1 1 1 1 484.3727 *484.3735* 484.3735@13.202641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3571 3758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.3735 *485.7956* 485.7956@0.8418183 1 1 1 1 1 1 1 4470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3273 1 1 2534 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 485.7956 *485.9259* 485.9259@0.8474078 2617 1 1 1 1 1 1 1 1 1 3468 3634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.9259 *485.9688* 485.9688@0.8189103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2473 1 1 1 485.9688 *486.0423* 486.0423@4.6320987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2181 1 1 1 1 10028 8515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5599 2648 1 1 1 1 1 1 1 1 1 1 1 1 486.0423 *486.0738* 486.0738@3.8357258 1 1 1 1 1 1 16861 17063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.0738 *486.1707* 486.1707@5.457329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 4378 1 1 1 1 1 1 1 1 1 1 486.1707 *486.2066* 486.2066@9.4787445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5155 4815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2066 *486.2286* 486.2286@4.7261763 1 1 1 1 1 1 1 1 1 1 1 1 13607 13460 1 1 7631 7436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.2286 *486.3304* 486.3304@11.174914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4152 4269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3304 *486.3315* 486.3315@11.428061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9254 10155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3315 *486.3316* 486.3316@11.811296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30655 30240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3316 *486.3317* 486.3317@10.278951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6094 5950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3317 *486.3876* 486.3876@13.114918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3876 *486.3879* 486.3879@13.434528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6578 6214 1 1 1 1 1 1 1 1 3282 3976 3736 3324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3879 *486.3882* 486.3882@12.878456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5307 5790 1 1 1 1 1 1 1 1 1 1 3315 3314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3882 *487.0997* 487.0997@6.8307257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4259 4266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 487.0997 *487.7523* 487.7523@0.8469091 1 1 1 1 1 1 2685 1 1 1 1 1 2390 2521 1 2314 1 2689 1 1 1 2497 1 2615 1 1 1 2593 2602 1 1 1 1 2508 1 1 1 2229 1 1 2441 1 1 1 1 1 1 1 2354 1 1 2371 1 1 1 1 1 2558 1 2291 1 1 1 1 1 1 2512 2407 1 1 2407 1 1 2271 2954 2633 1 1 1 2753 2686 1 1 2506 1 1 2667 1 2499 2244 487.7523 *487.8873* C13 H4 N4 O9 S4 3602 3115 3605 4778 5510 5410 4374 4637 5509 4115 5037 4222 4087 3681 5227 5642 4204 5498 5814 5848 5432 3610 5688 3853 5020 3339 3906 3697 3310 4723 3953 6126 3625 1 3454 3381 4570 3415 5584 3520 3567 3697 3371 5129 5302 3624 3710 3620 5470 3691 3759 5495 3645 4014 3770 3772 6002 4507 3924 1 3744 3124 3326 3479 5515 3759 5647 3870 4226 4426 3738 5695 4008 5216 5911 4365 5284 5224 5077 3663 3455 5566 1 3590 5225 3638 3719 3449 5662 5463 487.8873 *487.9916* C18 H8 N4 O11 S 8188 7891 5928 6180 5949 7044 4185 4477 4806 5423 7885 7322 5310 5981 6223 6319 5541 5361 5297 5179 6782 6851 6752 6548 6619 6531 6373 7266 7466 7756 5799 5611 7268 7458 7322 7818 6905 1 7274 7380 6116 6532 1 7500 6453 5673 6564 6148 5502 6210 6289 6431 4445 5791 5781 5671 4289 4667 5950 6154 8628 7603 7389 6399 5234 6069 5242 5239 5543 4516 5760 5043 6365 6198 6574 6825 7765 7985 6376 6105 6524 6544 8629 7987 5410 6245 6570 7667 6932 7627 487.9916 *488.039* 488.039@4.634847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 1 1 3210 1 1 1 1 1 1 1 1 1 1 1 1 488.039 *488.2062* 488.2062@7.021738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3665 1 1 1 1 1 6741 6442 1 1 14722 14447 1 1 3937 3609 1 1 1 1 3841 3844 1 1 1 1 1 1 6076 6326 1 1 1 1 11316 11377 5473 5784 1 1 1 1 4555 5655 1 1 1 1 9552 9823 1 1 1 1 1 1 8473 8496 1 1 7803 6991 5091 4766 1 1 1 1 488.2062 *488.2901* 488.2901@12.714607 1 1 3382 1 1 1 3941 3738 1 1 1 1 1 1 3762 3673 1 1 1 2421 2785 1 1 3171 4338 1 1 1 1 1246 1 1 3116 1 1 1 1 1 3817 3299 1 1 1 1 1 1 3341 3177 1 1 3656 1 1 3372 1 1 1 1 1 1 1 1 1 2772 1 2924 1 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 2910 1 488.2901 *488.2948* 488.2948@12.724163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3624 1 1 3932 1 1 3942 2760 1 1 1 1 1 1 1 3890 1 3926 4167 1 1 1 1 1 1 1 1 1 1 3876 1 1 1 3194 1 1 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.2948 *488.3009* 488.3009@12.669666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5753 2504 1 1 1 1 1 1 6252 6015 1 1 1 1 1 1 1 1 1 1 1 1 5884 5733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3009 *488.31* C20 H41 Cl N10 O2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 4412 4284 4495 4498 4395 4360 3713 4224 4052 2639 4262 4158 4335 4178 4414 3954 4203 4756 4068 4603 4529 4585 4665 4497 4223 4216 4250 4581 4586 4827 5120 5194 5226 5414 4848 4674 4975 4551 4646 5000 4754 5208 4760 3957 5804 5823 5033 5037 4733 5268 5680 5063 5355 5470 3544 2278 5058 5169 5435 5876 488.31 *488.3112* 488.3112@14.157508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5201 5465 1 1 1 1 1 1 1 1 1 1 4829 4757 10850 10109 1 1 1 1 1 1 8619 9177 1 1 1 1 1 1 1 1 1 1 1 1 10643 10608 1 1 3730 3563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3112 *488.3114* 488.3114@13.597071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3114 *488.3125* 488.3125@10.345482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3766 3822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3125 *488.3468* 488.3468@8.313207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3143 3025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3468 *488.3486* 488.3486@11.889347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7095 7932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3486 *489.1144* 489.1144@6.0508404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9364 9242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.1144 *489.1153* 489.1153@5.86113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 3558 1 1 1 1 1 1 1 1 1 1 11830 12129 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 4252 4588 2136 1 1 1 1 1 1 1 1 1 489.1153 *489.1808* 489.1808@8.223463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.1808 *489.7433* 489.7433@0.846089 3485 3250 3645 3661 3534 3562 3880 3772 3615 3516 3361 3142 3932 3704 3867 4215 3874 3924 3699 6605 3658 3594 3890 3693 3846 3989 3724 3748 4027 3636 3752 3437 3669 3788 3800 3695 3800 3421 3651 3457 3787 3839 5070 4085 3902 3804 5809 3517 6468 3550 3422 3782 4010 4030 4054 3803 3501 5736 4154 5672 3581 3391 3552 3743 3806 3867 3948 6075 4044 4257 5213 3717 3925 3830 3961 3951 3730 4086 4320 3921 4135 4102 4312 4421 3795 4046 3861 4084 4259 3857 489.7433 *489.9242* 489.9242@0.8414056 1 1 1 1 1 1 1 1 1 24127 21698 1 1 19135 1 1 1 1 1 1 1 1 1 1 1 1 25393 1 1 12057 1 1 1 1 1 1 1 1 1 1 1 1 23032 1 1 1 1 1 1 1 1 11172 1 10594 1 1 1 1 1 1 1 1 1 1 1 24605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26183 1 1 1 1 1 1 1 489.9242 *489.9249* C12 H12 Cl2 N4 O7 S3 31745 29441 26018 25025 26983 27062 20496 20733 18843 1 10667 31415 25794 1 24969 26034 23197 23320 24537 10647 23405 24864 23431 25167 25046 23836 1 25514 27928 15748 24793 25707 26824 26278 26932 28884 25256 25173 27640 26794 24666 23678 1 23845 21418 24252 22415 24660 10719 21135 23894 1 23716 1 22354 23617 21409 22121 22125 26214 28947 30536 29844 29578 21426 1 19224 19819 19502 9919 11921 20948 24816 12220 21413 22730 21660 23047 23114 23100 21515 19474 1 25497 21952 22168 24911 24850 24251 23142 489.9249 *490.197* 490.197@5.3111415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 490.197 *490.2214* 490.2214@7.1927156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2214 *490.2221* 490.2221@7.3831844 1 1 1 1 1 1 6878 6508 1 1 1 1 1 1 1 1 1 1 1 1 5621 5752 1 1 1 1 1 1 2362 1 1 1 3430 1 1 1 5016 5569 1 1 4738 5222 1 1 1 1 1 1 1 1 3464 3531 1 1 1 1 1 1 5124 5031 1 1 17468 17748 8786 9590 1 1 1 1 1 3636 1 1 1 1 1 1 5073 5333 1 1 5468 5047 1 3304 1 1 1 1 490.2221 *490.339* 490.339@13.820214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4868 1 1 1 1 1 1 1 1 4221 1 1 1 1 1 1 1 1 1 1 1 1 1 4288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.339 *490.3605* 490.3605@13.471063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8820 1 14593 13802 1 1 1 1 1 1 1 1 1 1 7379 1 1 1 1 1 1 1 1 1 1 1 1 1 7442 8668 1 1 1 1 1 1 1 1 1 1 1 7657 1 1 1 1 1 1 1 1 1 1 1 1 490.3605 *490.3622* 490.3622@12.987798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3534 5510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3622 *490.3623* 490.3623@12.977523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6341 2571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3623 *490.3624* 490.3624@11.868501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2718 1 1 1 1 1 1 4326 5192 3582 3394 3033 2936 1 1 1 1 1 1 1 1 3395 3024 1 1 1 1 1 1 1 1 1 2766 1 1 6479 6632 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6529 6125 2262 1 1 1 1 1 490.3624 *490.3624* 490.3624@13.115929 1 1 1 1 1 3697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5100 4571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7876 7185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3624 *490.3625* 490.3625@13.240406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7691 4883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3625 *491.7412* C8 H3 Cl3 O8 S5 1 1 2675 2569 1 1 2431 2578 1 1 1 1 1 1 2160 2769 2640 2247 1 2094 1 2053 2639 1 2477 2404 2722 1 1 2342 2172 2765 2121 2546 2572 1 2455 2592 2002 2563 2480 1 2502 2750 2420 2136 2383 2182 2349 1 2599 2460 2690 1 1 2800 2419 2494 1 1 2705 1 1 2454 2558 2493 1 2489 1 2082 1 2338 1 2855 1 1 2796 3069 2566 2659 1 2971 2997 2119 2583 2214 2561 4177 1 2378 491.7412 *491.8246* C11 H2 Cl2 O14 S2 3610 3712 4878 4656 2661 3842 4446 4622 2294 2398 1 2741 4060 4082 1 4389 4595 5537 4275 4392 4457 4510 3956 1 4614 4618 4443 3946 3996 1495 4257 4030 4144 1 1 3706 1 4573 3634 3569 1 4196 4394 4117 1 4425 4155 8418 4854 4310 1 4364 4374 4247 4541 4941 1 1 4295 4227 2111 2499 3282 3384 1 1 4978 5102 1 1 3982 4315 4322 1 3873 4077 1 1 4122 4231 4529 2406 2532 2857 1 4397 1 2703 1 1 491.8246 *491.8264* 491.8264@0.8355616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4382 1 1 1 1 1 1 1 1 4684 1 1 1 1 1 2560 1 1 1 3684 1 1 1 1 1 1 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4441 4211 1 1 1 1 1 1 4210 4099 1 1 5198 4959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 1 1 1 491.8264 *491.8831* 491.8831@0.8279093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2543 1 1 491.8831 *491.9216* 491.9216@0.83411014 1 1 1 1 1 1 1 1 1 1 1 1 1 5508 1 1 1 1 1 10097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10697 1 1 10448 1 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7595 10605 1 1 11308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.9216 *491.9226* 491.9226@0.86698747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.9226 *492.3268* 492.3268@8.221096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3083 3182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.3268 *492.3638* 1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferol 14245 16107 13883 9578 14523 13991 17257 13961 12676 14437 3251 13470 14961 9631 11817 14868 16224 16107 5866 15784 16709 17315 12341 12506 18352 17234 12828 20547 18186 17601 8097 15161 15190 14806 18158 15579 15202 15189 19442 18330 12258 1 14415 14667 13163 14350 16496 6496 1 11071 16764 13507 11496 1 12609 1 15449 13151 12360 14018 1 1 1 15816 1 12992 11112 11026 1 1 1 12662 10901 1 13239 10525 11988 1 14891 15284 15060 15330 1 1 14409 11361 16676 15931 17400 18022 492.3638 *492.3639* 1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferol - 14.324497 10903 12507 14893 11938 15167 16883 10420 11477 1 1 8106 1 11252 15814 1 1 11806 13226 13869 15851 17067 17268 1 8545 1 1 6006 13640 18237 7063 21873 19856 13316 13689 1726 1 16894 14778 21309 19623 1 1 13218 15256 18086 1 12805 13463 1 1 19265 21611 1 1 1 1 12271 12999 15534 13610 1 1 16830 1 1 1 1 11717 1 1 14185 1 26617 1 1 1 7672 1 14258 1 1 1 1 12210 14483 1 1 1 19004 19695 492.3639 *492.3641* 492.3641@13.480263 1 1 1 1 1 4996 1 7237 1 1 1 1 1 1 1 1 1 1 5173 1 6798 1 1 1 1 1 1 1 5159 4110 6943 5444 1 1 1 1 3950 9577 4835 6153 1 1 1 1 7306 7640 1 6546 1 1 1 8998 1 1 1 1 7100 1 1 7234 1 1 1 1 7903 1 8472 9562 1 1 4971 4699 1 6817 6462 1 6850 7632 10233 1 5215 1 1 1 7679 1 1 1 8671 6040 492.3641 *492.3641* 492.3641@14.455502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14772 6136 1 1 1 1 1 1 1 1 1 1 15247 1 1 1 1 1 1 1 1 9176 1 1 1 1 1 1 1 13356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5461 1 1 1 1 1 1 1 1 1 1 1 1 1 492.3641 *492.3642* C30 H52 O3 S 20856 13492 1 12663 17835 21460 15732 18048 14287 1 15174 13078 18445 1 1 10073 1 1 20728 16113 23071 22387 1 20785 1 1 16929 12242 30833 11051 16990 19910 16194 1 1 1 28105 23891 28358 14028 1 1 1 19613 19976 18571 27405 16482 19542 15038 12757 26801 14958 1 1 1 1 27801 12560 17678 1 18872 1 14498 21110 24275 1 17490 1 1 10340 1 1 1 14569 1 19181 26394 1 20520 1 1 21548 17902 27440 24233 1 1 1 26004 492.3642 *492.365* 492.365@13.59916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.365 *492.3669* 492.3669@13.317098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8481 2376 4514 7751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3594 9096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6000 492.3669 *492.9226* 492.9226@0.8219858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.9226 *493.3675* 493.3675@14.54619 1 1 1 10120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5608 1 1 1 1 1 12132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3675 *493.8232* C13 H3 Cl N2 O7 S5 1 3316 4749 4376 3501 3569 1952 4671 3974 1 2229 1 4250 4026 1 1 2649 1 4220 4663 2720 4138 4582 2698 4386 4595 4259 4030 4817 3541 3726 4040 4227 4170 3477 3669 4122 4216 2263 5000 2516 4419 4228 3805 1 4600 3636 1 4640 4651 4301 2635 4254 5395 4545 4485 3855 4075 3302 4099 3425 3233 4655 5397 3868 2318 4768 4950 5177 1 4615 4151 4735 1 2922 1 3020 1 2442 3879 1 1 4079 2325 2683 4340 2294 3679 1 2508 493.8232 *493.8247* 493.8247@0.82894313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.8247 *494.0056* C14 H14 N4 O12 S2 12907 12707 10783 10614 10454 9922 6773 6727 7525 8557 11112 10703 9332 8625 8578 8344 7544 8108 8089 7333 9877 10793 9578 8991 9632 9191 9986 1 11027 11582 7877 9037 10139 9638 9131 10535 10626 10073 9929 9637 9938 8826 9591 9304 8665 8673 8419 8635 8235 8007 8857 8714 8998 7593 8467 8974 6618 7431 8948 9130 10902 10859 11031 11000 7984 8951 7872 7974 6918 6671 9103 8524 9845 8583 8810 7941 10313 10137 9802 8136 7928 8309 10649 10857 8066 7749 8898 9589 10570 10187 494.0056 *494.1378* 494.1378@5.574484 1 1 1 1 1 1 4001 3314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1378 *494.1728* 494.1728@8.222963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10237 9606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1728 *494.1872* 494.1872@6.631182 1 1 1 1 1 1 1 1 1 1 1 1 4374 4893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1872 *494.3786* 494.3786@14.241473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4299 494.3786 *494.3831* C27 H50 N4 O4 1 1 1 1 3905 1 1 1 1 1 1 1 1 1 1 1 1 1 5153 1 5108 1 1 1 1 1 5710 5765 5287 1051 4555 4689 1 1 1 1 8586 6365 5316 4375 1 1 1 1 3925 4877 5966 4970 5635 1 7698 6328 1 1 1 4404 6672 4073 4525 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3406 1 1 1 1 1 5218 5265 1 1 1 7967 494.3831 *494.3858* C24 H54 N4 O4 S 1 1 1 1 6594 6136 1 1 7940 6574 4612 5834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9442 6896 7281 6209 6889 7170 1 1 6844 10090 8589 8240 5506 5839 1 1 6349 6202 1 1 1 4971 11825 8963 1 1 1 1 3914 7419 5601 3446 5541 4983 1 1 6895 6723 6877 8839 5884 6087 1 1 5573 5739 1 1 6568 6445 1 1 1 1 8460 8526 1 1 1 1 1 1 494.3858 *494.3891* 494.3891@14.408754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3891 *495.8195* 495.8195@0.8659247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 495.8195 *495.8267* 495.8267@0.83521485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4154 3268 1 1 1 1 1 1 1 2942 1 1 1 1 1 1 1 1 1 1 1 1 495.8267 *495.8302* 495.8302@0.82464546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1 1 495.8302 *495.9283* 495.9283@0.81967163 1 1 1 1 1 10556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10535 1 1 1 7458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.9283 *495.9567* 495.9567@0.8070125 1 1 1 1 1 1 1 1 1 1 1 5890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.9567 *496.1705* 496.1705@5.9135118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 3096 1 1 3863 4141 1 1 1 2420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5825 6421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5460 5470 4685 4740 1 1 1 1 1 1 1 1 496.1705 *496.228* 496.228@5.951513 9287 9793 1 1 1 1 8492 8507 10904 11489 20697 20862 8130 8407 1 1 1 1 9792 9418 1 1 20368 19552 1 1 1 1 4724 4512 1 1 6438 6286 4791 4744 1 1 1 1 11836 10951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4276 4426 2305 1 21955 21255 9738 8948 3153 2997 1 1 1 1 8908 8870 1 1 22200 19881 1 1 1 1 496.228 *496.2998* 496.2998@7.9517484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.2998 *496.4082* 496.4082@14.878044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5817 1 1 1 1 1 1 1 1 1 1 1 1 1 496.4082 *497.0812* 497.0812@7.0242944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5403 5382 1 1 4546 4370 1 1 1 1 1 1 1 1 1 1 3562 4069 10296 9992 1 1 1 1 1 1 5206 4548 1 1 1 1 1 1 1 1 1 1 16255 15189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2865 1 1 1 1 1 1 1 1 1 1 497.0812 *497.7792* C17 H Cl3 N2 S5 3029 3104 5898 3468 3201 3208 2936 3520 1 3218 2712 2801 3274 3371 3642 3445 1 3455 3493 3560 3103 3380 7115 7683 5466 4927 1 3617 3199 3438 5597 3233 3224 4676 3029 3519 1 3382 5029 3302 1 3616 3561 3560 3471 3639 3430 3044 5234 3309 4679 3373 3425 5037 3726 3464 1 3262 3409 3874 3409 3400 1 2887 3768 3302 3612 3999 3336 3276 7984 5309 3483 8114 3404 1 3682 3670 1 4060 3840 5030 3377 3414 3737 1 5654 1 7383 3558 497.7792 *498.17* 498.17@6.515838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3650 2683 1 1 1 1 7693 7970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.17 *498.2797* 498.2797@7.7685056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20575 21165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2797 *498.2805* 498.2805@8.831173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23705 25600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.2805 *498.3148* 498.3148@8.600481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2479 2888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3148 *498.3888* 498.3888@13.575823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4043 4305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3888 *499.1805* 499.1805@6.506496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5152 5602 499.1805 *499.2932* 499.2932@7.5562778 1 1 1 1 6307 6288 3803 4402 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 3279 4068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8136 7125 1 1 1 1 1 1 1 1 5158 5237 1 1 1 1 1 1 1 1 1 1 4413 4081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.2932 *499.2935* 499.2935@7.750194 1 1 1 1 3075 5911 4607 5146 1 1 1 1 1 1 1 1 3963 3750 1 1 1 1 4262 7164 1 1 1 1 1 1 6954 6474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2813 3018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2927 2869 1 1 499.2935 *499.7728* C10 H3 Cl3 O9 S4 4152 3887 5675 4044 4211 4016 4408 1 3969 1 3580 3566 4218 4521 5020 4394 4457 4197 5487 4255 6026 4008 4467 5876 4504 4301 4443 5710 6135 4174 7137 4181 4119 6445 3812 4125 4622 5747 4010 3974 4049 5812 4048 4444 4395 4275 6238 8377 4119 4317 3994 4101 6106 6265 4423 4513 4236 4016 5968 6473 4137 4300 4063 4187 3856 4371 4742 4985 4706 5999 4130 1 6306 6374 4726 1 4440 4938 6542 4748 4420 4799 6114 4268 4475 6377 4177 5478 6600 6338 499.7728 *499.9343* 499.9343@9.47392 1 1 2787 2785 1 1 1 1 1 1 5209 5804 1 1 1 1 1 1 1 1 4568 3055 2572 1 1 1 1 1 3168 3540 1 1 3493 3580 1 1 1 1 5237 4890 3755 3498 1 1 1 1 1 1 3387 1 12611 14440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 4236 4001 1 1 1 1 1 1 1 1 1 1 2579 1 499.9343 *499.9343* 499.9343@9.552614 1 1 1 1 1 1 1 1 1 1 5879 4837 1 1 1 1 1 1 1 1 3149 4738 2785 3224 2503 1 1 1 1 3189 2602 1 3040 3642 1 1 1 1 2813 3057 1 1 1 1 1 1 1 1 2588 2600 9571 8339 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4146 4151 1 1 1 1 3388 3333 1 1 1 1 1 1 499.9343 *499.9345* C14 H8 N6 O7 S4 4367 4265 4267 4537 3068 2960 5986 6130 3036 2965 10059 10713 1 1 1 1 1 1 1 1 7230 7401 6128 5686 1 2300 1 1 7836 7183 6573 5978 7620 7299 1 1 4556 4483 8046 8063 4491 4205 1 1 5268 4658 5024 5027 6008 5458 19905 19651 1 2681 6806 6729 3445 3337 4599 4347 1 1 1 1 6805 7290 4231 4507 4526 4695 4715 4423 5821 5210 4648 4646 50591 49009 4673 4774 1 1 1 1 3725 4099 1 1 5579 5002 499.9345 *499.9493* 499.9493@0.86704785 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.9493 *499.9551* C14 H9 Cl N8 O5 S3 15264 16414 9931 6715 10249 7030 5336 5545 8966 8625 10082 13461 9062 6725 8880 5800 6191 5381 7673 7825 9779 9498 10323 8547 6388 9337 9998 9448 7826 5819 6399 9242 10561 9419 10165 10485 9811 10102 9270 9942 7449 8970 9083 9571 5894 8475 8839 7079 8226 8289 7319 7486 6952 1 8400 5248 5618 7362 8150 9298 11820 11713 11214 11445 5990 5304 3013 7888 1 1 9188 9118 5505 5765 5607 8263 6409 6369 7600 8401 7339 7359 10161 9449 7737 8089 8272 8330 8410 9254 499.9551 *500.1746* 500.1746@9.537511 1 1 1 1 1 1 1 1 12003 1 1 1 1 1 1 6020 1 1 1 1 4827 1 1 8997 5436 1 4093 3745 1 1297 1 1 1 6406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 2274 3951 1 1 1 1 2991 1 1 1 1 1 1 1 1 2525 3141 500.1746 *500.1756* gamma-Hydroxyphenylbutazone glucuronide 8749 8716 11103 11030 7845 8169 11743 11785 1 11380 10321 9072 7173 7473 6456 1 7250 6974 5514 5540 1 4897 9650 1 1 4936 1 1 5668 3988 2988 1 6260 1 1 1 1 1 1 1 5365 5541 1 1 1 1919 1 1 3807 3332 1 5870 4464 4401 3362 3184 2606 2048 1 1 3311 3441 1 1 1 1 4597 4726 1 1 1 2427 1 1 1 4020 1 1 1 1 1 1 1 1 1 1 2806 2515 1 1 500.1756 *500.2384* 500.2384@6.6749835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4761 5789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 500.2384 *500.2935* 500.2935@7.7384405 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 4049 4294 3624 3829 1 1 500.2935 *500.9702* 500.9702@4.074389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13872 14829 1 1 1 1 500.9702 *501.2825* C23 H35 N9 O4 9913 9814 8455 8751 9710 9713 16138 16362 9702 9903 10647 10202 6939 6916 6780 6408 5359 1 8609 9064 12607 12449 8047 1 5392 5471 8504 8719 9894 5972 30973 30289 20520 1 5767 5516 20352 1 17762 17643 12342 12490 1 10223 9131 9468 16418 3131 1 13905 29485 29949 5115 5045 11376 10912 34834 4353 16100 16641 15651 16630 7309 7485 3697 3163 1 13346 17980 3579 1 1 3261 15658 20855 20818 1 18680 17676 18031 9578 9747 11855 12953 12804 12320 7897 7136 1 27194 501.2825 *501.2833* 501.2833@10.5268955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4898 1 1 1 1 1 7928 1 1 1 1 1 2236 3035 2982 1 19738 1 1 1 19814 4264 3862 1 1 10736 1 1 1 2547 16591 13819 1 4993 4856 1 1 1 1 4639 34287 2934 1 1 1 1 1 11055 11014 14027 1 3258 18467 7003 7020 15494 2440 1 1 19237 3392 1 1 1 1 1 1 3593 3538 1 1 28159 2228 501.2833 *501.284* 501.284@7.5256977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12743 12063 1 1 1 1 1 1 1 1 1 1 1 1 501.284 *501.7695* 501.7695@0.8475489 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 1 1 2182 1 2115 1 2065 1 1 1 2327 2539 1 1 1 2416 1 1 1 2164 1 1 2351 1 2496 1 1 2294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 1 1 1 1 1 1 1 1 1971 1 2534 1 1 1 1 1 1902 2009 1 1994 1 1 1 1 1 1 2101 1 1 1 1 1 1 501.7695 *501.8554* C14 H2 N2 O11 S4 2486 1 4803 5095 2005 4008 1 4776 2350 4141 1865 1 4460 1 1861 2271 1 2410 5090 5085 2718 1 2344 2590 2527 4741 2305 4537 1 2113 4608 4140 1 1 1991 1 2513 1 1 1 2283 2321 2421 2419 4645 2387 1 4469 1 2520 1 1 1 1 4983 2581 4243 1 1 2159 1790 1 3817 1 3951 4059 2577 2771 1 2257 4738 2369 4551 1 2432 2690 2422 1 1 2251 5114 2387 4188 2049 2267 4120 1 1 1 2059 501.8554 *501.8569* 501.8569@0.8348104 1 1 1 1 1 1 2608 1 1930 1 1 1 1 1 2277 1 1954 1 1 1 2495 1 1 1 1 1 2299 1 1 2229 1 1 1 4392 2035 1905 1 2434 1 1 1 1 1 2235 1 1 1 1 5001 2487 2444 1 4880 2869 1 1 1 1 4275 1 2118 1720 1 2035 1 1 2939 1 1 3078 1 1 1 2324 2246 2206 2552 1 4397 1 1 1 1 2458 1 1 1 1 1 1 501.8569 *501.948* 501.948@0.82042885 1 1 1 1 1 1942 1242 2555 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 2990 1 1 1 1 1 2715 1 1 1 1 1 1 1 1 1 1 1 1 1 1704 1 1 1 1 1 1 1 1 2377 1 2668 2202 1 1 1 1 1 1 1 2265 2230 1 1 1 1 1 1 1804 2216 1630 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 501.948 *502.1783* 502.1783@7.7025146 6108 5991 1 1 1 1 1 1 1 1 4553 3989 1 1 1 1 1 1 20126 20457 2294 2598 17403 16627 1 1 1 1 4337 4315 1 1 6601 6911 1 1 1 1 1 1 1 1 1 1 14260 13981 4127 4619 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 4980 4566 1 1 1 1 1 1 8069 7698 1 1 2287 1613 1 1 1 1 1 1 502.1783 *502.3986* 502.3986@14.583842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7070 7637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3986 *503.8535* 503.8535@0.82632256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 3106 1 1 1 1776 3128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3225 1 1 1 1 1 1 1699 1549 1 1 1 1997 503.8535 *503.8632* C25 H3 Cl3 O2 S2 1 1 1 5303 4000 5324 1 5035 3305 4076 3028 2791 3913 6045 4387 4366 2754 4540 6501 6375 3698 4772 4707 3475 3976 5300 3711 5842 5291 2281 5283 1 2871 3872 1 4634 4341 3886 1 3535 1 6406 4040 6007 3920 5539 4271 2913 4135 4501 4975 3313 2752 4211 4434 4255 6411 6168 4142 4567 1 1 3059 2343 5554 6503 5624 6620 5296 7387 6475 3504 3971 5999 3664 4684 4363 3227 4095 3883 4368 1 3612 3529 2895 2377 4128 3062 4609 3621 503.8632 *503.9618* 503.9618@0.8108406 2231 1653 1 1278 1 1649 1 1 1 1 2474 2414 1506 1 1239 1634 1 1151 1 1 1 1 1378 1574 1 1 1 1 1 1616 1 1 1740 1638 1 1 1 1 2010 1800 1 1 1 1596 1 1274 1544 1 1225 1 1 1 1 1258 1411 1469 1 1 1514 1 2101 2192 1 2822 1 1501 1418 1306 1 1 1 1 1614 1617 1 1424 1644 1 1636 1 1570 1248 1 1878 1 1 1616 1 1720 1377 503.9618 *504.1205* 504.1205@5.2503977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.1205 *504.1445* 504.1445@0.91177195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 504.1445 *504.157* 504.157@6.721101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5587 5706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.157 *504.1951* 504.1951@8.577379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111863 107567 1 1 1 1 1 1 1 1 504.1951 *504.2021* 504.2021@5.9156504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 4125 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3655 4163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3200 3944 4539 4307 1 1 1 1 1 1 1 1 504.2021 *505.2284* 505.2284@6.6821938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.2284 *505.3138* 505.3138@10.677676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3090 1 1 1 1 1 1 1 1 3470 3251 1 1 1 1 3657 3395 1 1 3717 3603 1 1 1 1 5402 5019 4070 3889 3019 3044 1 1 1 1 1 1 4321 4503 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 4323 4468 1 1 4501 4945 505.3138 *505.7199* 505.7199@0.8440507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.7199 *505.8757* C25 H2 N2 O S5 1 1 1 4723 1 1 4631 1 4804 4660 1501 1 4674 4614 4672 4805 4495 4615 4817 4358 4899 4729 4694 4753 4650 1 4792 1 1 1106 2279 4967 1 1 1 1 1 4731 5060 1 4979 4749 1 4262 3365 2366 5148 4764 4137 4629 4430 4601 4646 4655 4575 4507 5170 4951 1 4561 1 1 1 1 4719 4557 4942 4387 4739 4714 4446 4865 4607 4831 4635 4973 2719 4445 5157 4973 4478 4203 1 1 4928 4741 1 1 2319 4302 505.8757 *505.8823* 505.8823@0.82097316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5329 1 1 1 1 1 1 505.8823 *505.8906* 505.8906@0.8334115 5646 10064 1 1 4852 1 1 1 1 1 4766 5793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1949 2910 1 1 5208 1 1 4550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5657 5946 5394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5136 1 1 1 1 5065 1 1 505.8906 *506.1353* 506.1353@5.3767138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.1353 *506.1678* 506.1678@8.499508 1 1 1 1 1 1 2396 2404 1 1 1 1 1 1 1 1 2807 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5171 5319 506.1678 *506.2131* 506.2131@8.086127 4657 4882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2871 3054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5907 6291 2777 2838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.2131 *506.2173* 506.2173@5.2175937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 2935 2586 1 1 1 1 1 1 1 1 1 506.2173 *506.2691* 506.2691@6.7161055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15238 14689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.2691 *506.3392* 506.3392@14.668564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.3392 *507.1193* 507.1193@5.4134026 1 1 1 1 1 1 2926 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.1193 *507.1874* 507.1874@5.414729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4422 4327 507.1874 *507.3298* 507.3298@11.473947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3156 507.3298 *507.8* 507.8@0.8509489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3757 3032 1 1 1 1 1 1 1 1 1 1 1 507.8 *507.8026* C13 H2 Cl2 N4 O4 S5 2881 3690 1 3336 3230 3441 1 2164 2847 1 2880 3330 1 1 1 1 3279 2029 1 1 3692 3168 3588 1 3765 3573 3484 3671 3800 3845 3537 3824 3615 3222 2848 1 3772 3421 2400 2862 3748 1 1 1 1 3823 3449 1 3505 3797 3443 1 1385 1 1 3756 2370 1 3553 3365 1 1 3164 1 3179 1 3066 3873 3586 1 1 1 1 3324 3885 3288 3694 1 1 2549 3194 3842 3516 3681 3751 3351 3007 2076 3799 2196 507.8026 *507.815* 507.815@0.8459599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3716 1 1 3526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.815 *507.8422* 507.8422@0.8150332 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.8422 *507.885* 507.885@0.8390245 4147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.885 *507.8915* 507.8915@0.839423 1 1 1 1 1 1 1 1 1 1 3755 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3031 1 1 1 1 1 2848 2659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4049 3225 3624 3911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.8915 *508.2273* 508.2273@9.1139 1 1 1 1 1 1 1 1 1 1 3224 3599 1 1 1 1 1 1 1 1 1 1 3871 3683 1 1 1 1 5882 2915 1 1 4693 4719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3534 1 1 1 1 7139 1 15370 1 1 1 1 1 1 1 6566 6837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.2273 *508.2276* C30 H36 O5 S 23944 24590 1 1 4569 4421 8014 8757 10406 10792 22397 21951 4606 4382 5890 5773 3409 3052 1 1 1 1 35616 35672 4685 4248 12332 12001 9395 9057 13000 12100 20935 21809 7357 7481 2800 1 6027 6129 1 1 1 1 4644 4492 4917 4882 23945 24773 13109 14199 1 1 6433 6181 44114 42818 26820 27035 1 1 12530 12349 5255 5012 17997 18715 1 1 1 1 8782 8517 6044 6127 8089 7909 1 1 9780 8718 6582 6477 11140 11595 6650 6989 1 1 508.2276 *508.2285* 508.2285@9.1192045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7116 1 14682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.2285 *508.4433* 508.4433@13.237502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4203 1 1 1 1 1 1 5888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5352 508.4433 *509.1361* 509.1361@2.8939261 1 1 1 1 1 1 6568 6963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.1361 *509.3451* 509.3451@12.458447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3906 4355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4025 3723 1 1 4686 4905 509.3451 *509.7997* C11 H4 Cl2 O11 S4 3509 3851 3950 6800 3653 1 3925 3661 3613 3587 3783 3663 4081 3607 4158 1 4013 4063 4034 3955 4083 1 3864 3558 4191 3666 4147 3996 3796 3141 4013 3944 3598 3865 3628 3369 4175 4084 3969 3971 3652 3501 1 3892 3656 3648 1 3918 1 3731 3518 1 3360 3652 4363 1 3988 3859 4071 4240 3855 3651 3504 3537 3596 3786 1 4030 1 4178 4075 4016 4187 4113 4068 1 3836 4595 1 3835 3741 3782 1 3827 5672 3534 3449 3300 3307 3413 509.7997 *509.9265* 509.9265@0.8729016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 1 1 509.9265 *509.9365* C26 H5 Cl3 N4 S 4529 5152 5147 5108 1 5816 1 6599 1 5609 3651 4680 5187 1 6126 1 1 1 1 6795 6117 5044 6297 2509 4926 5630 5847 6835 2792 2525 1 5029 5318 13292 5891 6294 4395 5475 1 5443 6288 6209 1 5593 1 5371 1 4308 8067 8061 5501 7649 6171 1 5206 6144 6969 7671 6507 6382 5867 5320 6635 4834 1 1 1 1 6773 7080 5178 4803 1 1 4842 1 1 2850 1 1 1 7278 6220 1 1 6223 3087 1 1 7192 509.9365 *509.9422* 509.9422@0.8268849 1 1 1 1 1 1 7189 1 8230 1 1 1 1 7391 1 9200 7933 7713 7994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7907 1 8190 1 1 1 1 1 1 8147 1 1 1 1 1 1 1 1 1 1 1 7759 6588 7859 1 1 1 1 1 8675 1 4557 8926 1 8039 5263 1 1 1 1 8424 1 1 1 7544 1 509.9422 *509.9537* 509.9537@0.8209935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.9537 *509.9621* 509.9621@0.8160073 1 1 1 1 4494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.9621 *509.9708* 509.9708@4.104091 7290 8074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2677 2517 1 1 6026 6300 1 1 1 1 1 1 5493 5501 5770 5394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12229 11991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.9708 *509.9749* 509.9749@0.8139915 1 1 7917 1 1 1 1 1 1 1 5553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3649 1 3573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9170 5660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.9749 *511.1371* C31 H26 Cl N O2 S 3204 1 1 1 1 1 1 1 1 1 4269 3731 1 1 1 1 2709 2699 1 1 1 1 1 1 1 1 1 1 1 1 3962 3867 2471 2240 2756 2604 2347 2288 1 1734 1 1 2215 2455 1 2224 1 2123 2342 2747 3045 2997 3442 3292 2097 1796 3125 3208 1 1 1 1 2183 1861 2600 2287 2783 3147 1 1 2601 2587 1 1898 3204 1 1 1 2015 2473 2498 2268 1862 1602 4050 4104 3031 2794 1 4918 511.1371 *511.1633* 511.1633@8.22546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8732 8690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.1633 *511.2056* 511.2056@3.982477 1 1 27522 25928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.2056 *511.257* 511.257@7.308717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.257 *511.9083* C26 H6 Cl2 N2 S3 1 1 21150 17130 1 1 12324 8126 12843 8351 13010 1 17653 13622 13098 8966 13498 1 15502 8118 17685 1 12476 15231 8979 13936 19425 1 1 1 13186 15777 1 1 1 1 21285 12668 1 1 17635 1 14617 13441 1 12690 17188 16365 9945 16768 15953 16920 13271 14165 16200 16622 10981 15989 15241 1 1 1 1 1 13785 1 16712 9327 12334 1 1 12695 14075 15585 13417 1 13573 1 1 13588 19906 1 1 14393 17973 16843 1 1 13561 14045 511.9083 *511.91* C13 H6 Cl2 N4 O12 S 18920 8319 1 1 17226 16954 1 1 1 1 1 6535 1 1 1 1 1 5848 1 1 1 7069 1 1 1 1 1 16716 15464 5022 1 1 17069 1 14254 8311 1 1 4229 8588 1 15967 1 1 19974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9285 11811 8208 10762 13782 1 6335 1 1 1 6662 7433 1 1 1 1 12310 1 13553 13167 1 1 16501 13539 1 1 1 6929 13568 1 1 511.91 *511.9156* 511.9156@0.86583453 1 1 1 1 1 1 1 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2978 1 1 1 2356 1 1 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5191 1 1 1 1 4746 1 511.9156 *512.1342* 512.1342@0.91455793 8888 1 1 1 1 1 1 1 1 7676 11551 1 1 1 1 1 6374 1 14553 13766 1 1 7501 1 1 5004 1 1 6974 1 8808 7787 5524 5636 6455 6317 1 5530 1 1 1 5874 1 5978 1 5415 1 3997 5703 1 1 10270 7937 7791 1 4593 1 1 1 1 1 3819 4897 1 1 5923 8228 7224 1 1 6420 1 1 1 1 1 4261 3861 5658 1 1 1 3339 3476 1 9172 6623 1 12194 11547 512.1342 *512.2922* 512.2922@7.377751 1 1 1 1 1 1 6361 6628 1 1 1 1 1 1 1 1 1 1 4896 4781 1 1 1 1 1 1 1 1 1 1 1 1 5311 5808 1 1 1 1 1 1 1 1 1 1 1 1 9246 9941 1 1 4915 4712 1 1 1 1 3186 3614 2307 2666 1 1 1 1 3558 3765 3072 3228 1 1 2577 2748 2042 1 1 1 1 1 3549 3652 1 1 1 1 2151 1 3743 3600 1 1 512.2922 *512.2937* 512.2937@6.449465 1 1 1 1 1 1 4259 4043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.2937 *512.4036* 512.4036@13.267957 1 1 1 1 1 1 1 1 8003 7785 3350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11087 10216 9585 9541 1 1 5442 6504 1 1 1 1 1 1 11308 10729 1 1 1 1 1 1 1 1 1 1 17730 19345 1 1 1 1 1 1 1 1 11442 11367 7199 7241 1 1 5160 4722 1 1 7118 6794 5508 6012 1 1 1 1 1 1 1 1 1 1 512.4036 *512.4036* 512.4036@13.387985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6901 5907 1 1 1 1 1 1 1 1 1 4151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.4036 *512.4038* C34 H56 O S 1 1 1 1 8026 8138 1 1 8579 8734 8590 8283 1 1 5164 5545 1 1 1 1 4609 4432 5150 5317 1 1 3930 4191 10791 10541 16001 14734 15120 15007 1 1 9516 10465 7176 6602 11064 11043 3716 3453 14032 14981 1 1 1 1 4659 4478 1 1 5039 5391 18042 17973 1 3902 3701 4021 1 1 1 1 22205 20734 11693 11489 1 2958 5719 6237 1 1 12064 12040 7986 7732 1 1 6126 6298 1 2618 1 1 3344 1 512.4038 *512.4038* 512.4038@13.157611 1 1 1 1 1 1 1 1 4479 4039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4573 4618 1 1 1 1 1 1 1 1 1 1 5009 4867 1 1 1 1 1 1 1 1 1 1 9732 10689 1 1 1 1 1 1 1 1 4185 3990 3398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.4038 *512.4047* 512.4047@13.902574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5064 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4817 4978 1 1 1 1 1 1 1 1 4664 4491 3945 4053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.4047 *512.4629* 512.4629@14.13359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 2718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3087 1 1 1 1 1 1 1 512.4629 *512.475* C31 H64 N2 O S 4673 1 3353 3261 6569 6461 1 1 1 1 4753 4805 1 1 1 1 2641 1 4464 1 1 1 3752 3202 1 2783 1 2810 9326 10669 9873 9596 7981 8065 1 1 7576 7752 1 1 3592 3219 1 1 7138 7404 1 1 2757 1 13068 12528 2973 1 3229 3601 6826 5983 1 1 1 1 1 1 5271 1 1 1 3252 3201 2713 3310 2513 2670 2869 1 4103 3924 1 7458 3689 1 1 2858 5690 1 1 1 1 1 512.475 *513.273* 513.273@7.976985 1 5795 1 1 1 1 1 1 10642 11048 1 1 1 1 1 1 1 1 1 1 1 1 3450 10304 1 1 1 1 1 1 7523 7534 2457 13549 1 1 1 1 4276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12179 2976 12580 7979 10145 7619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.273 *513.2731* 513.2731@7.972328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7345 1 1 1 1 1 1 1 1 1 11278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.2731 *513.3036* C22 H35 N13 O2 4495 4814 5754 6360 10689 10654 6138 6476 3283 2880 4004 3800 5470 5730 4581 5198 5223 4568 4764 5188 12627 12746 5079 4746 4963 4419 5016 4992 6515 6686 14152 13540 16351 16117 6111 6377 12988 12768 13518 13660 9336 9082 13486 13662 5874 5838 15966 15538 7859 7576 9054 8668 5010 4892 6969 7205 5337 5428 9795 9971 6274 6061 1 1 13333 13636 7524 7321 9127 9633 7115 6629 6679 6837 4219 3922 6182 6619 7454 7235 7878 8091 5709 6077 17416 17969 4204 4488 11105 11430 513.3036 *513.9205* 513.9205@0.82230514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3030 1 1 1 1 1 1 1 3076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3552 2589 1 1 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.9205 *513.9305* C20 H16 Cl2 N2 S5 1907 1 1 1 3011 3344 2006 2009 2105 3564 1 1 3465 2240 3416 2037 3234 3235 1 2176 3336 1 1 3334 3300 2344 3443 1702 2131 1617 1894 1 1 3492 2007 2134 1 1 1997 1844 1 1 1 1783 1 1 2566 1 1 3281 1705 1 1 2000 1 1 1 1 1 1 1 2702 1982 2103 2216 1 1 2118 2233 1 2051 3443 2032 1 3343 3505 3892 2725 1 1 1 1 1 1 1 3405 2440 2168 1 2512 513.9305 *513.9395* 513.9395@0.8204748 1 1586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2153 1 1 1 1 3875 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 2319 1 1 2489 2598 1918 1 1 1 1952 1 513.9395 *514.0911* 514.0911@5.7479897 1 1 1 1 1 1 4825 5186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.0911 *514.1654* 514.1654@6.502993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2108 1 1 1 1 1 6763 6645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.1654 *514.2224* 514.2224@10.375873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 3685 1 1 1 1 1 1 1 1 1 1 1 1 514.2224 *514.4184* 514.4184@14.706425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5063 4461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.4184 *515.2883* 515.2883@6.831273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8313 7531 1 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3611 3694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.2883 *515.3288* C20 H41 N11 O5 1 1 1 1 1 1 1 1 1 1 1 1 1 2013 1 1 1982 1 1 1 1 1 1 1 1 1 3068 1 1 2543 4111 3937 3597 3923 4019 3882 3900 3756 4333 3878 4186 4091 3858 3994 3712 3970 4432 4204 4074 4387 4045 4657 4492 4757 4046 4042 2940 2714 2748 1 3054 2794 2458 3319 3191 1 2391 3193 3376 3266 2591 2577 3128 2419 3721 3362 2915 3060 2668 2663 3187 1 3398 3512 1 1 2760 2880 3444 3706 515.3288 *515.7457* 515.7457@0.8534278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2188 2190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.7457 *515.8993* C20 H Cl O15 1 5245 4414 7542 4288 1 1 4250 4179 4154 1 4503 4802 5483 4525 1 1 7066 4285 3834 1 4390 4268 4201 7918 4741 1 4809 3991 3870 5802 4305 5060 4750 4691 5174 4553 3939 4040 4647 5550 4826 4177 3878 5505 4716 4123 5136 4679 4565 4183 5347 4323 4105 4261 4725 5137 4536 4585 5033 8320 5917 4181 4756 4396 5626 5422 4713 5075 4830 4555 4522 4129 4498 4415 1 5679 5185 4547 4045 8375 5030 4187 4487 4465 4580 1 1 1 4492 515.8993 *515.9086* 515.9086@0.8080333 5529 1 1 1 1 1 1 1 1 1 2955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.9086 *515.9294* 515.9294@0.82049555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 515.9294 *515.9317* 515.9317@0.82195735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 515.9317 *516.2751* 516.2751@4.885448 1 1 1 1 1 1 1 1 1 1 1 1 14366 14193 1 1 5053 4776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2751 *516.2888* 516.2888@7.0427866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6643 6948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2888 *516.3784* 516.3784@13.098327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4312 4690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5968 5105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.3784 *517.8355* 517.8355@0.84901637 1 4072 1 1 1 1 8059 1 1 1 2365 1 2051 1 1 1 2057 1 3876 1 2231 2326 3769 2215 2321 1 1 1 1937 2506 1 1 3505 2499 1 1 2513 1 2371 1 1 2182 2202 2297 1 2186 1 3652 1 1 2007 1 1 1 3951 1 1 1 1 2446 1 1 1 1 1 1973 1 2547 2153 1 2427 4057 2082 2044 1 1 2711 1 1 2146 3952 1 1 1 2415 2079 1 1 1 1997 517.8355 *517.8357* 517.8357@0.84364533 1 1 1 1 1 1 1 1 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 1 1 1 1 2496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.8357 *517.8397* 517.8397@0.82376224 1 1 3890 1 1 1 1 1 1963 1780 1 1 1 1 1 1 1 7449 1 8907 1729 1 1 1 1 4138 1 1 1 3391 1 1 1 1 1 3178 1 1 1 1 1 1808 1 1 1 1 1 1 1 1 1 1 8069 1 1 1 3757 1 1 1 1 1 1908 1 1909 1 8332 1 1 2019 1 1 1 1865 1 3831 1 8130 1886 2069 1 1 1 1 1 1920 1 2248 1 1 517.8397 *517.9005* C22 H3 Cl N4 O4 S3 4643 5402 5683 1 4931 4375 6997 7517 5624 5844 1 3620 5338 4682 4776 4455 5181 1 4496 2504 1 1 4852 5149 1 4392 5077 5138 5675 5737 1 1 6460 5293 7553 6500 5488 5509 6450 6405 5482 5666 4319 6188 5367 5748 6567 7194 6874 6242 4363 4445 5901 5707 4941 5184 5037 5290 5888 6338 1 5505 6179 6110 1 1 5326 4872 4624 4968 5168 5362 6534 6123 5510 5366 4652 4785 5589 5144 1 6985 7170 6636 5243 5384 7360 7368 5501 5730 517.9005 *518.1361* 518.1361@6.6426744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15494 14961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1361 *518.1365* 518.1365@6.577235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7066 7745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1365 *518.393* 518.393@13.63872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4108 1 10867 10233 1 1 1 1 1 1 1 1 1 1 8393 8911 1 1 1 1 7215 1 1 1 6652 7328 1 1 10262 16131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.393 *518.3932* 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy 1 1 1 1 3704 3967 1 1 3151 1 3082 3027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5439 5122 3326 1 2791 1 1 1 6931 6422 1 1 4195 4296 1 1 1 1 4058 3401 3099 3120 6609 5959 1 1 3373 3458 4085 4118 3066 1 4203 4398 1 1 6205 6834 5334 5358 3859 3325 1 1 1 3467 3481 3620 3948 3906 1 1 1 1 4442 4372 4208 4304 1 1 1 1 518.3932 *518.394* 518.394@14.212887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.394 *519.6144* 519.6144@0.85514903 1 1 1 1 1 1 1 2331 1 2332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 2979 1 1 2431 2611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2497 1 1 3309 2905 1 1 1 2397 1 1 1 1 1 1 1 2829 1 1 1 4466 1 1 1 1 519.6144 *519.8306* 519.8306@0.84387213 1 1 1 1859 6244 6589 1 1 1 5532 1 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6601 1 7041 1 1 4133 1 6484 1 1 1 1 1 1 1 1 1 6358 1 1 1 1 1 1 1 1 1 1 5065 1 1 3471 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5816 5433 1 1 1 7513 1 1 1 1 1 1 1 519.8306 *519.8399* 519.8399@0.82085764 1 1 1 1 1 1 1 1 1 1 1 1 1 3167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5939 1 1 1 1 1 1 1 1 1 1 1 1 1 4425 1 1 2609 1 1 1 1 1 1413 1 1 3107 1 1 1 1 1 1 4174 1 1 1 4658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.8399 *519.8449* 519.8449@0.81297076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.8449 *519.9024* 519.9024@0.77794814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2746 1 1 1 1 1 1 1 1 1 519.9024 *520.1892* 520.1892@8.30022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14648 13737 1 1 1 1 1 1 1 1 520.1892 *520.1894* 520.1894@6.9312115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9487 10582 1 1 1 1 1 1 1 1 520.1894 *520.2981* 520.2981@8.601979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3295 2811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.2981 *520.4074* 520.4074@14.189756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2860 6206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.4074 *520.4089* 520.4089@13.0623865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4012 3712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.4089 *521.6118* 521.6118@0.85399395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1974 1 1 1 1 2097 1 1 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.6118 *521.6845* 521.6845@0.84650624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2076 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.6845 *521.6899* 521.6899@0.84619135 1 1 1 1 1 1 2437 2530 1 1 1 1 1 1 1 1 2402 2696 1 1 2242 1 1 1 1 3730 1 1 1 1 1 1 2122 1 1 1 2381 1 1 1 1 1 1 2131 2838 2644 1 1 1 2654 1 2623 2499 2743 2657 1 1 1 1 1 1 1 1 1 1 1 2450 1 2917 2780 1 1 2448 1 2166 1 2508 2512 1 2394 2835 2616 1 1 2643 1 1 3984 2343 1 521.6899 *521.8998* 521.8998@0.80894744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 521.8998 *521.9092* C19 H8 Cl2 N4 O4 S3 2497 2604 2974 1 2612 1 2964 1 2791 2501 1 1 3134 2664 2758 1 2935 2911 3273 1 3618 3298 3033 1 3291 1 1 2999 2961 2916 2997 1 2772 2612 1 2528 2889 2982 2560 2587 3035 3005 1 1 1 2978 2658 2766 3448 2663 2827 2944 3045 1 3378 3243 1 1 3100 3134 3072 2651 1 3072 2983 1 3065 1 1 1 2916 3004 3436 1 2754 2993 3139 1 1 1 2962 3065 2460 1 1 3037 2594 2784 1 3390 521.9092 *522.1375* 522.1375@5.7009745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11780 8571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.1375 *522.1376* 522.1376@5.647924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.1376 *523.2907* 523.2907@8.383792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4890 4633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8683 8272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10321 10718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.2907 *523.6902* 523.6902@0.8466786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4517 1 1 1 1 1 1 2303 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 1 1 1 4636 2434 1 1 1 1 1 4037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.6902 *523.8911* 523.8911@0.802964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 523.8911 *523.8991* 523.8991@0.80195844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 523.8991 *524.3103* 524.3103@13.604396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 2865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.3103 *525.2822* 525.2822@10.377648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 525.2822 *525.2824* Desmosine 8587 8779 6198 6310 4813 4603 4830 4960 1 2555 7313 7355 4179 3687 1 1 1 1 9748 10092 11730 12180 7086 6340 3165 3742 4101 3995 10381 9898 19144 18829 13370 13727 3468 3205 9110 9263 11186 10762 5507 4874 5780 6078 13218 13658 12732 13477 7672 7931 14675 14758 1 1 6217 6528 17336 17640 9241 9393 5055 5157 1 1 13063 12839 8269 7958 6801 7531 9460 9597 7418 6962 10699 11347 8801 8425 26060 26265 6383 6582 8799 9031 7049 7119 1 1 12756 13439 HMDB00572 525.2824 *525.3392* 525.3392@11.537701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3531 3756 5459 5448 1 1 1 1 1 1 4571 4675 1 1 1 1 1 1 4259 4109 1 1 4433 4322 1 1 1 1 4484 4238 5747 5577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2525 1 3032 1 1 1 1 3877 4082 1 1 8997 6092 525.3392 *525.8995* 525.8995@0.85312015 1 1 1 1 1 1 1 1 1 1 4154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2982 1 1 1 3579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16182 1 1 11297 7690 1 1 1 1 1 1 1 1 1 1 525.8995 *525.9015* C15 H9 Cl3 N4 O7 S2 16639 7488 17902 6414 16362 17174 5675 5858 7350 6831 3925 21978 6981 7056 7819 16618 7065 17801 6242 14970 6932 15698 7506 7048 6165 18372 17007 20433 21106 9762 7487 20866 21947 7466 22841 7951 21343 19591 18504 17029 16403 7758 16672 15514 6899 15320 16983 16137 7188 18071 15247 16721 6760 3328 20381 7363 16509 3287 7073 7353 7641 7389 23320 19514 7425 16803 19777 6712 6472 6206 18656 6557 20283 6603 16503 1 3972 21064 1 1 19456 6933 7423 18010 7196 7021 21499 12943 7911 6993 525.9015 *526.2739* 526.2739@6.1865563 1 1 1 1 1 1 5812 5345 1 1 1 1 1 1 1 1 1 1 3053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2429 1 1 3276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4703 1 6075 6403 1 1 526.2739 *526.2741* 526.2741@6.204335 1 1 1 1 1 1 5853 5569 1 1 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 1 1 2773 1 1 1 1 1 1 1 1 1 2946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2958 1 1 1 1 1 4852 1 1 1 1 526.2741 *527.1067* 527.1067@2.8624172 1 1 1 1 1 1 3833 3970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.1067 *527.3192* 527.3192@10.588922 1 1 1 2578 1 4915 2770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4893 1 1 1 1 1 1 1 1697 6948 1 8066 8094 1 1 4283 1 4927 1 3747 3882 6675 7251 1 3573 7764 7821 1 3942 5925 1 1 1 4031 1 5407 1 5935 5474 1 1 1 1 6494 5447 2860 1 5104 4982 1 1 1 4390 1 1909 3595 3402 1 6082 2993 1 1 1 6826 7006 1 1 9009 9441 527.3192 *527.3197* 527.3197@10.588703 1 1 3438 1 4675 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 1 4479 1 1 1 1 1 1 1 4436 3159 1 5906 1 1 1 1 1 3962 1 5044 1 1 1 1 1 1 1 1 4044 1 1 6138 1 1 1 4446 1 5784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4275 1 1 1 1 1 5837 1 1 1 3004 1 1 1 1 1 1 1 527.3197 *527.3549* 527.3549@11.569761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3652 3877 4257 4970 1 1 1 1 1 1 5597 5781 1 1 1 1 3808 4343 1 1 1 1 4314 3880 1 1 1 1 4424 4142 5504 5446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8057 7932 1 1 1 1 5564 5840 1 1 1 1 527.3549 *527.8902* C15 H9 Cl O13 S3 1 13759 1 8927 1 1 7634 7184 8062 8449 5474 1 8175 9041 9851 1 7741 1 8895 1 8528 1 8682 13651 8803 1 1 1 1 1 8976 1 1 14413 1 14341 1 1 1 1 1 5456 1 1 9620 1 1 1 9317 1 1 1 8022 8378 1 8718 1 12646 12925 13810 9908 14885 1 1 9247 1 1 8497 10370 7782 1 8860 1 14037 1 1 13501 1 5327 9085 1 5297 8785 1 9189 9549 1 6936 8678 9158 527.8902 *527.8912* 527.8912@0.8623232 1 1 1 1 1 1 1 1 1 1 5062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 1 1 1 1 1 1 1 1 527.8912 *528.1957* 528.1957@10.613576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 2053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2793 1 1 1 1 1 1 1 528.1957 *528.2169* 528.2169@4.320553 1 1 1 1 1 1 1 1 1 1 1 1517 1 1 1 1 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.2169 *528.217* 528.217@6.644644 1 1 1 1 1 1 1 1 1 1 3882 3974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4665 4794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6642 5501 3342 3384 1 1 1 1 1 1 1 1 1 1 4031 4502 2835 2841 2834 2768 1 1 2759 2854 1 1 528.217 *528.2902* 528.2902@6.010215 1 1 1 1 1 1 4719 4809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.2902 *529.2669* 529.2669@7.360982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9419 10121 1 1 529.2669 *529.6487* 529.6487@0.8469825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4039 1 1 1 1 1 4045 1 1 1 1 1 1 3963 1 1 1 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1 1 1 1 1 4527 1 1 1 1 1 1 1 1 1 529.6487 *529.902* 529.902@0.8261666 1 1 1 1 1 1 1 1 1 1 3246 1 1 1 1 1 1 1 1 1 4104 1 3992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 4038 1 1 1 1 1 1 1 1 1 1 1 1 1 4127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 529.902 *529.908* C17 H11 Cl N4 O4 S5 4252 1 1 2152 4129 4120 3394 3704 3639 2614 1 1 4040 4289 3967 3841 4121 1 3797 3638 1 1 1 1 2402 1 3935 1 1 2627 2573 1 1 1 1 1 1 1 4362 4197 4264 4286 4147 2289 4145 1 2434 4192 4190 2141 3966 1 2730 1 1 3907 4105 1 1 1 4508 1 1 4343 2469 1 1 4032 1 3651 1 4315 1 1 4444 3795 1 1 4494 4377 1 4347 4413 2903 4308 4101 1 2810 4452 4249 529.908 *530.1705* 530.1705@3.0297039 1 1 1 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.1705 *530.2097* 530.2097@8.708402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 2840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.2097 *530.2329* 530.2329@9.477246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11806 13146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.2329 *530.253* 530.253@4.8774467 1 1 1 1 1 1 1 1 1 1 1 1 5569 5615 1 1 2458 2972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.253 *530.4271* 530.4271@13.237848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10881 11145 1 1 1 1 1 1 14781 14584 1 1 1 1 1 1 1 1 1 1 5219 5584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15797 16771 530.4271 *531.7223* 531.7223@0.84557295 2271 1 3005 3048 2753 2588 3248 3121 3024 2655 1 1 2744 1 2974 2838 3153 3258 3194 3196 2769 3039 2801 3112 3237 3051 1 2933 2785 2805 2719 1 2833 1 1 1 1 2757 1 2795 2809 2910 2885 2810 3241 3016 3314 3061 3278 3700 3225 3098 3332 3152 3232 3202 2963 3010 1 2934 2498 1 2730 1 1 3120 3533 3061 3475 3562 2736 2788 3116 3239 3055 3227 3290 3181 3213 2979 3637 3631 3095 2934 2968 2786 3088 3142 3047 3072 531.7223 *531.8961* 531.8961@0.8049619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.8961 *531.9074* 531.9074@0.85302293 1 1 1 1 1 1 1 1 1 1 20206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.9074 *531.9095* C10 H19 Cl3 O12 S3 27352 27643 35474 36349 29794 29738 32504 27606 30675 30339 8601 29007 28584 36493 30499 36415 31536 34109 35684 28203 35035 29468 29273 29992 28445 35983 35508 35627 34688 17411 26620 28506 35381 29403 29153 29513 36441 35796 34943 28663 29274 29759 30427 28550 37399 37737 36705 35616 30628 32536 31627 30400 34586 28779 34381 28828 33719 26859 34109 30534 33710 33961 36588 27831 28167 29144 33135 28995 30715 36288 26088 25261 29858 30549 27860 34525 36572 36248 32569 34358 36732 28132 37356 36338 36857 29233 27986 29597 31045 31198 531.9095 *532.4445* 532.4445@14.2136345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.4445 *533.2913* 533.2913@7.595234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2913 *533.7262* 533.7262@0.8453309 1 1 2203 2474 1 1 2405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 1 1 1 2647 1 1 1 2547 2594 2333 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 2650 1 1 3126 2690 1 1 1 1 1 1 1 2672 2418 1 1 1 1 1 1 1 1 1 1 1 533.7262 *533.7283* 533.7283@0.8509674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 533.7283 *533.8792* C27 H2 O5 S4 9113 9992 11945 11290 12172 12863 14530 14949 12170 13293 10817 9625 12519 12197 12910 13111 12539 12385 12656 13201 9562 9451 12135 12739 12529 12024 12319 11696 12515 11878 11349 11493 12168 12465 13373 13397 12312 12621 14517 14844 12760 13646 13056 13693 12768 12539 15791 14974 14178 14429 11411 11804 13591 13223 12661 12801 13649 14758 13944 13333 12820 12463 11323 11782 11437 10461 12955 14000 12170 13422 14305 13304 13886 12819 14101 14525 12169 12240 14329 13847 14709 14962 13176 13612 14267 14032 15979 15249 12823 12126 533.8792 *533.9066* 533.9066@0.84197295 1 1 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5727 1 1 533.9066 *534.1677* 534.1677@5.336451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3035 2239 1 1 1 1623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.1677 *534.4586* C33 H62 N2 O S 12666 13105 9583 9404 16220 21810 12653 13147 9397 8090 12231 11492 11876 12645 9014 8565 8960 7992 14508 13494 19197 20852 10032 10676 9218 8850 9721 11080 19047 15813 24338 24024 20610 21726 10218 10242 27227 25077 43060 48110 11028 11371 24149 23498 19487 19849 21016 20955 10253 10995 32974 30702 12719 12672 13102 13116 32400 17751 21369 22190 8327 8774 7910 8190 19916 20019 10669 10381 20398 13190 14068 15306 15809 14171 13507 14471 15611 15817 26019 29307 15256 15156 11832 11559 22193 23561 8144 7370 52031 52508 534.4586 *535.9163* C14 H13 Cl O14 S3 8882 6227 1 1 9447 8976 1 8389 8825 8537 1 1 6590 1 9000 1 7926 1 1 7482 1 9645 8846 8678 9129 1 1 1 1 7358 9132 9212 1 9543 6717 8290 1 1 1 9483 4197 6186 5907 8994 1 1 1 1 9843 9502 8855 9611 1 8423 1 8303 1 7553 1 9687 1 1 1 9358 6359 6176 1 3746 6518 1 6218 5876 9143 4366 5952 1 1 1 1 1 1 9422 1 1 1 9335 10083 1 9046 8939 535.9163 *535.9394* 535.9394@0.81394696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1423 1 1 1 1 1 1 1 1 1 1 1 535.9394 *536.1549* 536.1549@3.6600878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 1 2250 1968 1 1 1598 2256 1 1 1 1 1 1 2115 1322 2041 1723 1 1163 1 1 1736 1736 4672 4731 2709 2823 2619 2731 2844 2176 3127 2918 1 1 536.1549 *537.6721* 537.6721@0.84716505 1 1 1 1 1 1 1 1 1 1 1 1 2481 1 1 1 1 2608 1 1 1 1 1 1 1 2326 1 2278 1 1 1 1 1 1 1 1 2172 1 2259 1 1 1 1 1 2459 1 1 1 2379 1 1 1 2363 2607 1 2520 1 1 1 1 1 1 1 1 2220 1 1 1 2721 2537 1 1 1 1 4990 2630 2315 2505 2596 1 2544 1 1 2535 2380 1 1 1 1 1 537.6721 *537.6793* 537.6793@0.84299207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.6793 *537.8993* C15 H6 O18 S2 1 2450 2766 2192 1 1 2703 1 1 1 2832 2140 2688 2515 1 2277 1 2395 2323 1 2595 1 1 1 1 2947 2210 2641 1 1 1 1 2635 1 2327 1 3192 2249 2473 1 1 1 2168 1 2469 1979 2283 2944 1 1 1 1 1 1 2313 1 1841 1 2584 1 2720 2305 2567 1 2284 2396 3779 2326 2496 2608 3060 2949 1 2092 2850 3430 3015 3144 1769 1 2475 1 1 2110 2883 1 1 2972 1 1 537.8993 *537.9075* 537.9075@0.81694365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2480 1 1 2507 1 1 1 1 1 1 1 537.9075 *538.098* 538.098@0.90188634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3839 4301 1 1 1 1 1 1 2610 2405 1 1 1 1 1 1 1 1 2435 2655 2778 2595 1 2518 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3442 3051 538.098 *538.1502* 538.1502@6.632182 1 1 1 1 1 1 1 1 1 1 1 1 2226 2698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.1502 *538.1633* 538.1633@8.393749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3904 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.1633 *538.2* 538.2@8.222963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27520 29488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2 *538.4185* 538.4185@13.491964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2800 1 1 5596 1 1 1 3384 1 1 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 1 1 1 1 3561 1 4861 1 1 1 6511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4199 4247 1 1 1 1 1 1 538.4185 *538.4189* 538.4189@13.685151 1 1 1 7520 1 1 1 1 1 1 1 1 1 1 1 1 5968 1 1 1 1 1 1 1 1 1 1 1 4370 4472 1 1 1 1 1 1 8587 7444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4147 6550 1 1 4769 1 1 1 7773 8762 1 1 1 3894 1 1 1 1 1 1 3235 1 1 1 1 1 5141 1 1 1 1 1 1 1 538.4189 *538.4193* 538.4193@13.571456 1 1 1 1 1 4216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5015 3075 1 1 1 5221 1 1 3276 8000 1 1 1 4819 1 1 1 1 1 1 1 1 1 3790 1 1 1 1 7169 1 1 1 1 1 1 1 1 10168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6537 5754 1 1 1 1 1 1 538.4193 *538.4195* 538.4195@13.811649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10239 1 1 1 1 1 1 1 1 1 1 1 1926 1 7260 1 1 1 1 1 1 6292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40534 1 46805 2348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55529 1 1 1 1 1 1 538.4195 *538.4197* C36 H58 O S 11747 11709 8671 1930 38672 38293 7829 6554 34687 34434 29519 31404 7206 6332 9203 1 1 5910 16564 16489 13997 14557 20426 18453 15647 14051 21922 21374 36919 31546 28299 28641 26511 25801 1 1 70287 70568 27321 26723 33942 34430 9694 9174 27852 27212 21657 22316 38600 38629 58593 56093 15015 14907 23091 21810 60939 62663 39417 3380 45358 3937 7249 8945 50583 49424 35642 34982 32123 32413 14737 14995 27790 27684 23951 24048 34550 34262 24186 23082 17963 17848 50588 4254 17661 18023 12253 12646 12375 12397 538.4197 *538.4209* 538.4209@13.657005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.4209 *539.1985* 539.1985@3.1721332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.1985 *539.3181* 539.3181@10.45092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4872 5966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6765 6958 539.3181 *539.3187* C24 H45 N9 O S2 - 10.340446 7110 1 7633 1 1 1 1 4593 1 1 6004 1 1 1 4593 4779 1 1 4958 3968 2711 12517 1 1 1 1 1 1 1 2709 7698 1 13405 9121 1 1 4202 5053 2995 5768 1 1 4219 3418 7643 7533 13150 3437 1 8867 5675 7487 4505 4303 7572 7348 3900 4251 8811 5993 2940 3458 1 3987 6260 6682 3855 4807 5285 1 4744 11783 5528 5540 1 1 4548 9324 1 3417 1 1 1 1 15181 8616 3915 1 9405 9809 539.3187 *539.3188* C24 H45 N9 O S2 1 7073 1 7840 8104 8799 5757 1 4540 4563 1 5999 8719 8696 1 1 4154 4244 5773 4974 11991 1 8637 8707 6910 7054 5518 5994 7479 7691 37405 41595 4849 13022 6693 6071 12627 11242 30533 30368 9420 9108 16806 17187 1 1 3310 13703 8857 1 24855 23657 1 1 1 1 13136 13529 21977 21859 7735 7582 4244 1 17883 18985 8582 8822 11784 13202 11934 4783 10622 10327 6323 6139 9971 4407 8499 8311 7991 7371 6145 6009 4737 15057 1 4051 39853 39008 539.3188 *539.6651* 539.6651@0.84508574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.6651 *539.6706* 539.6706@0.8469232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 1 1 1 1 4236 1 1 5112 2338 1 1 1 3903 1 1 1 1766 1 6923 7315 4681 1 2124 3806 2280 4820 1 1 2570 1 2352 1 2292 4514 2031 1988 5318 5314 1 1 1 1 4716 1 1 1 4541 4916 1 1 1 5819 1 1 4439 1 1 5050 5082 1 1 5012 5139 5591 1 7337 1 5105 5022 1 1955 1 1 539.6706 *539.7458* 539.7458@0.8469306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.7458 *539.7467* 539.7467@0.8450661 1 1 1 2628 1 1 2418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2733 1 1 1 2537 1 1 2526 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 4259 1 2998 1 1 1 1 1 1 2466 2674 1 1 1 3003 1 1 2758 1 1 1 1 1 539.7467 *539.9794* 539.9794@0.8049901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.9794 *539.988* 539.988@0.8109623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.988 *540.1198* 540.1198@2.867919 1 1 1 1 1 1 39387 40277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1198 *540.2541* 17-alpha, 21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide 4234 3664 1 1 3935 3881 13283 13919 4497 4995 1 1 1 1 4677 4357 4028 3746 3084 3063 3509 3712 1 1 3284 3238 4765 4575 6872 7322 4844 4668 9485 8864 3602 3965 5505 5571 11026 10749 4336 4402 4430 4630 4513 4713 4291 4145 7237 7089 9541 9251 5077 4894 7121 7928 5700 5236 1 1 2886 1 1 1 4548 4340 8239 8732 5134 5016 1 1 4223 4204 4401 4504 4834 4824 9165 9279 4471 4154 6239 5575 10329 9716 4404 4228 6059 6378 540.2541 *540.2543* 540.2543@7.740716 1 1 1 1 1 1 1 1 3077 3567 5118 6803 1 1 1 1 1 1 1 1 1 1 3809 4951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18297 16050 1 1 1 1 31558 30384 1 1 1 1 8547 8918 1 1 1 1 11869 13353 1 1 19518 18933 1 1 1 4177 9598 10200 7510 6643 1 1 1 1 1 3100 1 1 1 1 9215 10170 12955 13082 45908 45542 1 1 9364 8911 540.2543 *540.4343* 540.4343@14.038551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5612 5316 1 1 1 1 1 1 6411 8492 1 4276 8694 1 1 2087 1 1 1 1 1 1 1 1 1 1 12921 1 1 1 1 1 1 1 1 1 1 1 1 1 8250 1 1 1 1 1 11458 1 1 1 1 1 1 6931 1 1700 1 1 1 1 6753 6686 1 1 11614 11384 1 7527 3265 1 1 1 6293 5490 1 8040 540.4343 *540.4347* 540.4347@14.429198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 5921 5086 1 1 1 1 1 1 1 1 1 1 1 5532 5329 1 1 5685 5656 1 1 1 1 1 1 1 6168 1 1 1 1 1 1 5027 1 5376 1 1 1 1 1 1 1 1 1 1 5964 1 1 1 1 1 1 1 1 1 1 1 1 540.4347 *540.4351* 540.4351@14.099261 1 1 1 1 13800 15966 1 1 13338 1 8084 16761 1 1 1 1 1 1 1 5561 4782 6446 1 1 6609 1 1 6941 20835 11912 19903 21236 1 1 1 1 25869 26352 10038 11882 1 14034 1 1 15880 1 9039 11126 1 14688 1 26633 1 1 1 1 41618 42827 12410 1 1 10318 1 1 17438 1 1 17712 20293 19262 8904 1 1 11650 1 1 21076 21342 1 1 1 1 1 21757 5341 1 1 1 9309 9854 540.4351 *540.4352* C36 H60 O S 1 3026 1 1 14139 14409 4428 4200 12784 13593 12214 12232 1 3011 1 1 1 1 4174 4042 5561 5711 6279 7625 4706 1 6253 5221 17459 17576 22950 23141 20446 20518 1 1 20401 19808 7328 7435 10122 10025 1 1 12561 12784 7098 7549 15280 15497 17338 17674 4891 4585 8261 8824 29233 29639 9810 9170 8884 8458 3509 3917 6975 7941 20803 20473 16485 16766 1 1 11146 10704 4779 4506 17065 17173 10061 10013 5797 5768 13271 12931 6439 6950 5968 1 7942 1 540.4352 *540.4353* 540.4353@14.427591 1 1 1 1 1 1 1 1 1 1 5035 5439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5650 4293 6099 1 1 5269 1 1 6383 6918 1 1 4555 4843 1 1 1 1 1 1 1 1 6744 6721 1 1 1 1 5653 1 1 1 1 1 1 1 1 1 1 5102 1 1 1 1 1 1 1 1 5902 1 1 1 1 1 9078 9486 1 1 1 1 1 1 540.4353 *540.4356* C36 H60 O S - 14.210839 1 1 1 1 7227 6953 1 1 5495 1 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11173 8061 11764 10822 6781 5989 1 1 15394 15376 5939 5910 1 5337 1 1 8065 7209 5944 5905 6755 3170 15386 14021 1 1 1 1 23357 23208 8977 7829 6997 6786 1 1 12356 12780 1 1 10081 8650 1 1 1 1 1 1 10584 10518 6438 5762 1 1 4718 8131 1 1 1 1 8278 8487 540.4356 *540.4357* 540.4357@14.091956 1 1 1 1 1 1 1 1 1 14117 5486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6196 1 1 20648 19765 1 1 1 1 2450 1 1 1 1 1 1 16072 1 1 13548 1 26047 1 1 1 1 7665 1 1 1 12009 1 1 1 1 1 16617 16911 1 1 1 1 1 10435 1 1 1 1 1 1 1 7011 1 23326 1 1 1 1 4896 1 1 540.4357 *541.3347* C24 H39 N13 O2 12459 13849 22689 20819 34387 34104 22243 22163 19526 19075 10203 10265 24097 23984 21218 20080 13271 13333 17973 17497 21562 21806 12215 11900 13291 13056 14136 13698 26056 25554 40250 42851 36214 34631 8399 9254 50962 49924 91604 89726 34982 35238 53638 52807 39265 39356 60169 59482 29206 26845 59042 7564 13717 13559 31497 31364 60620 61607 72042 71060 30465 28025 13280 13284 68516 65950 29292 28997 56314 2763 26734 26459 43220 43527 22756 22401 34613 34599 55622 57209 16060 15749 33541 34940 38433 37226 7922 7852 54132 53612 541.3347 *541.3353* 541.3353@11.296376 1 1 1 1 1 1 1 1 1 1 3534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4130 1 1 1 1 1 1 5370 1 1 1 1 1 1 1 1 1 6278 1 1 1 1 930800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3609 68807 809461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81292 1 1 1 1 541.3353 *541.3361* C27 H47 N3 O8 449106 454238 344424 344162 506601 510575 378643 386842 291832 289414 351482 352402 400757 396880 308881 314541 203977 209701 593415 595640 640917 634425 366463 370092 240487 235355 407760 400444 714936 695103 1036982 981750 909265 893127 250657 245370 690543 692717 1225967 1236140 576430 580320 812074 811949 642512 660187 870891 875439 410595 413353 940393 54167 283219 270896 552378 557520 949091 944786 1037924 1042037 435064 429958 211305 216563 914276 923207 443143 437686 754985 53928 404756 399871 683137 675579 336511 338321 539530 536357 792347 798662 503319 509191 522076 526832 1071988 988532 218838 222676 1435055 1418137 541.3361 *541.6113* 541.6113@11.206002 1 1 1 1 1 2065 1 1 1 1 1 1 1 1 1 1 1 1 1 3206 1 2573 1 1 1 1 1 1 4204 3081 1 1 1 1 1 1 3124 1 1 1 1 3245 1 1 1 1 1 1 1 1 1 1 1 1 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3943 1 1 2861 1 1 5265 1 2152 2052 1 1 1 1 1 1 1 541.6113 *541.6957* 541.6957@11.199514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.6957 *541.7368* 541.7368@11.202593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.7368 *541.7399* 541.7399@0.8499106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.7399 *541.7515* 541.7515@0.8452753 1 2607 3492 3301 3123 3125 3935 3551 1 3189 1 1 3436 1 3380 3536 3760 3568 3665 3626 3241 3337 3039 3322 3505 3569 3562 3251 3360 3349 1 2760 3160 3088 3124 3010 3277 3362 2725 2929 3398 3276 3479 3569 3824 3652 1 3694 3841 1 3507 3168 3492 3340 3462 3863 1 3284 3400 3406 2598 3055 1 2691 3258 3194 3528 3884 3924 4238 3226 3534 3275 3708 3494 3370 3703 3970 3357 3396 3986 4079 3343 3357 3569 3448 3021 2980 3668 3604 541.7515 *541.7904* 541.7904@11.195594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.7904 *541.8089* 541.8089@11.203573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.8089 *541.8202* 541.8202@11.208381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 1 1 1 1 1 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.8202 *541.889* 541.889@11.201857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.889 *541.9024* 541.9024@0.8599725 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9024 *541.9171* 541.9171@0.83904564 1 1 1 1 1 1 1 1 1 1 3447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9171 *541.9338* C22 H9 Cl3 N6 O S2 10601 10950 10832 6119 9369 1 9184 5372 9410 4448 3540 3633 9179 10018 11662 9510 7800 5315 10130 9933 10338 11482 11743 10087 11433 5946 6480 14188 9808 2427 11413 5084 10808 10875 6382 7968 5223 10501 6450 1 9412 9547 6009 1 6528 10926 9276 14978 11160 11352 9509 8913 7310 4506 9000 9542 6987 5224 10014 10072 5174 7924 10358 5268 6056 8597 10271 10344 5442 6869 9595 7312 9576 6143 8593 8420 9998 8451 7415 10078 8224 4315 5190 9922 4861 5818 7444 10798 6758 9296 541.9338 *541.9429* 541.9429@11.22053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 541.9429 *541.9652* 541.9652@11.210892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9652 *541.9787* 541.9787@11.206832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.9787 *541.9917* 541.9917@11.205517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1647 541.9917 *542.0515* 542.0515@11.195008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 542.0515 *542.2665* 542.2665@5.7250624 1 1 1 1 1 1 3561 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.2665 *542.2686* 542.2686@6.206952 1 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2806 2443 1 1 1 1 1 1 1 1 1 1 1 1 3675 3437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 3355 1 1 1 1 1 1 1 1 542.2686 *542.2691* C23 H46 N2 O8 S2 4731 4513 1 1 6946 6757 30011 30063 4597 4489 6164 6486 1 1 3165 2946 2870 3052 10902 10381 5320 5549 5101 5707 3168 2762 5402 5663 10310 10254 3961 3820 13395 13197 4249 4534 7054 7602 3143 3561 4613 5272 6706 6276 7186 7380 3947 4409 4243 3776 8140 7855 3336 2972 6509 6141 11404 10695 4029 3603 4333 4481 1 1 6092 6345 5138 4913 1 1 1 1 4773 5010 4765 4769 3755 3866 13719 13613 10041 9843 7129 6285 11383 12418 17925 19079 9131 9509 542.2691 *542.337* 542.337@11.311781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.337 *542.3638* 542.3638@5.111126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.3638 *542.6006* 542.6006@11.215258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.6006 *542.6174* 542.6174@11.208414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2055 1 1 1 1 2913 542.6174 *542.6256* 542.6256@11.206475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4092 1 542.6256 *542.7038* 542.7038@11.200305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1832 1 1 1 1 542.7038 *542.73* 542.73@11.206044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.73 *542.8696* 542.8696@11.200088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 1 542.8696 *542.9073* 542.9073@11.203041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.9073 *543.7465* 543.7465@0.8428959 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2464 1 1 1 1 1 1 1 1 2950 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 1 3046 2662 1 1 1 1 1 1 1 1 1 1 2839 1 1 1 1 1 1 1 1 1 543.7465 *543.8802* 543.8802@0.8533132 1 2038 1 1 1 1 1 1 1 1 1 2918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 543.8802 *543.9083* 543.9083@0.82473326 1 1 1 1 1 1 1 1 1 1 3930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3095 1 1 1 1 543.9083 *543.9207* 543.9207@0.82186615 1 1 1 4057 1 1 1 1 1 5038 1 2823 1 1 1 1 1 2425 1 1 1 1 1 1 1 3117 3506 1 1 3645 1 1 1 1 3665 1 5459 1 4592 1 1 1 2801 4489 3928 1 1 1 1 1 1 1 1 3922 1 1 1 2466 1 1 1 1 1 3900 3472 1 1 1 3216 1 1 1 1 4807 1 1 1 1 1 1 1 3158 2794 1 3428 1 1 1 4563 1 543.9207 *545.2174* 545.2174@3.1723518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 2622 2107 1 1 1 1 1 1 1821 1532 1734 1 1 1 1645 1 1 2148 1863 1 1 1 3053 3118 1 1 1871 1804 1 1 545.2174 *545.7166* 545.7166@0.8474952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.7166 *545.9485* C20 H6 N2 O15 S 2974 2944 2998 2697 3287 1 2760 2794 2718 2921 3087 2836 3282 2377 3634 1 3058 2593 2359 2580 3490 2909 2573 2946 2800 3187 1 1 3478 3620 2759 2478 3614 2996 1 2873 2852 2991 2910 2872 3168 1 3265 3048 3117 3628 3055 1 3473 3677 1 2687 2315 2776 2599 2955 2393 1 1 3314 1 3171 2589 3046 1 2706 3150 3013 2793 2285 2704 3218 3334 1 1 3580 3345 3473 3666 3452 3383 2859 3030 3531 1 3307 3416 3576 3171 3647 545.9485 *546.0317* 546.0317@4.0878053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4041 4098 1532 1 1 1 1 1 6505 6814 1 1 1 1 8667 8628 1609 1804 1 1 546.0317 *546.1428* 546.1428@7.703238 5512 5763 1 1 1 1 1 1 1 1 4313 4126 1 1 1 1 1 1 10326 9791 1 1 9362 8633 1 1 1 1 3951 3703 1 1 5323 5736 1 1 1 1 1 1 1 1 1 1 8112 8182 4554 4009 1 1 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 1 1 1 1 1 1 3979 3797 1 1 1 1 1 1 5727 6291 1 1 2963 3211 1 1 1 1 1 1 546.1428 *546.2494* 546.2494@4.0670934 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.2494 *547.1761* 547.1761@0.9052865 1 1647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3514 3716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1956 1829 1 1789 2113 1963 2133 2156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2933 3281 547.1761 *547.7027* 547.7027@0.84612536 2429 2357 2624 2841 2872 2628 3117 4909 2853 2837 1 2335 3009 3162 2786 2989 3271 3169 3037 3265 3007 3539 2896 3049 4792 3348 3205 3027 3011 3209 2692 3016 2794 2972 2836 2922 2757 3081 4112 3265 2960 2988 3156 2873 3291 3176 4875 2857 3184 3154 2823 3078 3161 3257 2957 3255 4871 3011 3122 2961 3126 2954 2737 2600 3037 2893 3288 3279 5017 3156 3782 2976 3037 3297 3136 3177 3285 3680 3535 1 3164 3488 2974 3353 2928 2994 2952 3283 3565 3260 547.7027 *547.8829* 547.8829@0.8510293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24507 1 1 1 1 1 1 1 1 1 1 4566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.8829 *547.8846* C12 H11 Cl3 O16 S 30303 28393 25539 26239 23017 28309 21933 23772 26687 26949 30204 30176 26548 25963 28307 27455 25491 23574 1 24676 26131 26465 24731 28199 23683 25093 28672 26163 11085 16645 21218 26349 27353 27277 28621 29490 26150 26430 27316 28332 26861 27172 25535 26591 27335 25379 25959 20876 27326 24326 24597 25192 23218 19515 23553 25036 25238 25941 26263 26079 30763 31971 31368 30329 22208 26243 8752 22479 21402 8721 20645 23782 25239 25766 24657 25661 23573 20173 25898 25497 24899 23590 27985 26478 24874 24875 27242 10533 27076 25273 547.8846 *548.1736* C20 H32 N6 O8 S2 8933 8387 4864 4815 7284 7123 8048 7933 8680 8346 6894 6579 7287 7817 6593 6252 11056 9827 8673 8865 5810 6532 8588 8864 9228 9443 7078 7715 7226 5489 8343 8684 5840 5469 5855 5892 8966 9899 4439 4795 7615 7196 21165 20166 8049 7785 7961 8459 9175 9448 10994 10682 9644 10774 5624 5580 6921 6176 8148 8358 10890 10890 9311 8696 11711 11399 11441 11759 9226 8998 8337 8374 7127 7028 9545 9854 10463 10620 6727 6206 6383 6157 7188 7198 8679 8261 6300 6005 18227 17563 548.1736 *549.127* 549.127@5.9591875 1 1 1 1 1 1 4147 3965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.127 *549.128* 549.128@5.656026 1 1 1 1 1 1 3730 3621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.128 *549.2168* 549.2168@8.710253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 2273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.2168 *549.6982* 549.6982@0.84665406 1 1 4653 4528 2222 1 4495 4611 2130 2494 1 1 1646 4530 4265 2284 1 1 1 1 3483 4931 1918 1 2118 7178 3267 4382 2237 1 2697 1 1 1 2243 1 1 1791 1 2205 2581 2355 1703 2827 2655 2251 2375 2395 1 4323 1 4712 2414 2100 4471 3820 1 1 2330 1 1 2323 2290 1 1957 1 4590 3134 1 1 1 1 1849 2187 2116 4077 4117 4726 2789 1 1 2223 4239 1 3976 1 2480 2244 2494 2240 549.6982 *549.7753* 549.7753@0.8446032 1 1 2722 3036 1 2705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 1 1 1 1 1 1 1747 1 1 1 1 1 1 1782 1 2203 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 2133 1 1 2018 1 1 1 1 1 1 1 1855 1 1 1757 1 549.7753 *549.8575* C15 H6 N2 O11 S5 9487 8973 12212 12638 14348 14041 13199 13589 14906 14911 14278 12170 13969 14240 14682 15988 13791 13867 16582 15878 14868 15318 16442 15410 12719 12741 14201 13699 11903 11957 16998 17595 14817 15101 13539 13129 13620 12965 15347 15745 13543 14536 13823 13930 13432 13874 15364 17445 14657 14836 17459 17301 14612 13948 14258 14992 18116 18221 14809 14321 10691 10681 11530 11422 17294 17136 15975 16598 17435 16797 16365 15404 14594 15025 16337 16741 15958 17433 14949 15972 14301 13867 12051 11712 15446 15587 14688 14951 13590 13382 549.8575 *549.8812* 549.8812@0.84395206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9941 1 1 13253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12664 1 1 549.8812 *550.1545* 550.1545@8.390959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5849 5791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9937 8859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13327 13824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.1545 *550.2009* 550.2009@4.3208413 1 1 1 1 2681 2741 5540 5268 1 1 2829 2496 1 1 1 1 3369 3257 1 1 1 1 1 1 7241 7085 1 1 1 1 1 1 6079 6204 1 1 1635 1 1 1 1 1 1 1 4479 4659 1 1 1 1 6306 5642 1 1 1 1 1678 1486 1 1 1 1 1 1 9625 9994 6505 6236 1 1 1 1 1 1 1 1 2342 2459 3270 3151 1 1 1 1 2101 1753 6520 6109 1 1 550.2009 *550.293* 550.293@7.5290003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11705 11856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.293 *551.2403* 551.2403@3.1752648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.2403 *551.6801* 551.6801@0.84598494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.6801 *551.7711* 551.7711@0.84362096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3411 1 1 1 3371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.7711 *551.7785* 551.7785@0.8590162 1 1 1 1 1 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.7785 *551.7788* C15 H Cl O11 S5 1 1 3332 3609 3419 1363 3689 4135 3107 1 1 1 3465 3297 3562 3599 3588 3195 3682 3649 3545 3191 3553 1 1 3698 3473 3475 1 1 1 1 1 3145 1 1 3387 1 1 2258 3380 3486 3631 1 3346 3407 1 1 2368 3586 1 3484 3625 1 3453 4144 3286 1 3516 3475 1 1 1 1 1 1 3762 3891 4363 1 1 1 1994 3712 1 3461 1 5924 3301 2382 3587 1 1 1 3864 1 1 1 3556 3514 551.7788 *551.8823* 551.8823@0.84385324 1 1 1 1 4139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3202 1 1 1 1 1 3146 1 1 1 1 1 1 1 1 1 1 3331 1 2999 1 1 1 3072 1 1 1 1 1 1 2992 1 1 1 1 1 1 1 1 1 1 1 1 551.8823 *551.8889* 551.8889@0.8500011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.8889 *551.9586* C15 H13 Cl N6 O9 S3 6123 11475 5592 8025 7574 9341 1 5050 4351 4276 8404 5947 6674 5598 8449 8526 5196 8283 7214 7419 9485 6987 6059 1 8029 6406 8433 9538 9565 5353 4522 5683 6136 8403 7936 9369 8768 5288 8481 7556 8266 4910 7423 10181 5005 6423 1 8224 7919 8050 1 7127 3957 6697 8216 8233 6752 6723 8052 4279 5235 5108 6051 7837 5498 6958 5844 7391 6290 6761 8071 6403 4725 8172 7808 1 8501 8935 4427 7186 5157 7581 8175 8864 8098 7672 1 1 7796 7669 551.9586 *552.1282* 552.1282@0.9184411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6258 6161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.1282 *553.1811* 553.1811@6.719103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3087 3346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.1811 *553.3705* 553.3705@11.808032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3530 1 3616 4010 1 1 1 1 1 1 4319 1 1 2568 1 1 1 1 3522 1 1 1 4091 1 1 1 1 1 4313 1 4755 5144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5968 5746 1 1 1 1 3929 4479 1 1 4260 3955 553.3705 *553.6554* 553.6554@0.84759116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9652 1 8157 1 1 1 1 1 1 1 1 1 1 1 3024 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1 1 1 1 1 3301 1 1 1 1 1 1 1 1 1 4006 1 1 1 7997 1 1 553.6554 *553.6686* 553.6686@0.84650683 1 1 1 1 1 1 11428 1 1 1 1 1 1 1 7819 1 1 8012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10797 8093 1 7714 1 1 1 1 1 1 1 4008 1 1 1 1 1 1 1 1 1 1 1 1 8519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.6686 *553.7863* 553.7863@0.8349489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.7863 *553.9467* 553.9467@0.8158259 1 1 1 1 1 1 1 1 1 1 1 1878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1933 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 553.9467 *553.9537* 553.9537@0.81622815 2947 1 2575 1 1 1 1935 1 1902 1908 1 1 1 2354 1 1 1868 1 1 1 1 2081 2320 2565 1 2687 1 1 1 2017 1 1 2193 1 1 1 1 1 1 1 1 2154 1 1 1 1837 1 1 1 1 1912 1 1 1 1 1 1 1 1 2050 1934 1 2067 1 2067 1 1955 1 1 1 1 1 2200 1 1 1 1 1 1 1 1658 1 1 1 1 1 2288 1932 1 1 553.9537 *554.1083* 554.1083@5.166546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2584 2787 1 1 1 1 554.1083 *554.1092* 554.1092@5.12281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 1 1 1 554.1092 *554.1617* 554.1617@0.90787077 1 1 1 1 1859 1 1940 1 1576 1 1 1551 1 1 1 1505 1 1853 1 1 1 1 1803 1916 1 1741 1651 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1 2824 1 1 1 1402 1491 1 1 1 1 1 1 1 1 1 1 1 1545 1430 1490 1 1172 1999 2139 1 1 1423 1 1 1305 1 1 1 1 1713 1 1 1 1 1 1 1 1629 1 1 1 1 1 554.1617 *554.1633* 554.1633@0.904802 1 1736 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 554.1633 *554.1769* 554.1769@6.720102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20755 20477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.1769 *554.1858* 554.1858@8.385759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7260 7395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.1858 *554.1931* 554.1931@6.4593425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4110 4216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.1931 *554.195* 554.195@9.4767475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2762 3165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.195 *555.0328* 555.0328@4.107907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 2908 2485 3326 3713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3538 3768 1 1 2754 2979 1 1 2918 2964 1 1 555.0328 *555.1629* C18 H42 Cl N5 O2 S5 15702 14812 7636 7995 12195 12519 12688 12566 14417 13809 10832 10224 12907 12448 10330 10366 14154 13579 12414 12819 10467 10518 14399 14388 14107 14145 11542 12395 10988 11578 8906 8742 5622 5671 8083 7708 11207 11011 4837 4844 10967 11034 20770 21515 8662 9027 11819 11939 11244 10755 11041 11047 11036 10486 5349 5271 6798 6623 11845 12108 12912 12677 10191 10142 11090 11612 10844 9978 11874 12018 9708 9746 7544 7920 10988 11419 12022 12073 7485 7289 5752 5850 6745 6760 10831 11091 8388 8642 22105 21229 555.1629 *555.3495* C24 H45 N9 O6 1 1 1 1 1 4898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5375 1 3082 1 1 1 3998 4532 1 1728 5534 4721 5006 6499 1 1 1 1 3393 9114 4593 1 1 7782 5139 1 8177 5359 4109 4542 9173 3575 1 1 4791 5183 1 1 2884 4038 3915 1 1 1 6915 2492 1 1 6361 3571 1 3952 1 6279 1 4051 1 1 3738 4921 3066 1 1 4766 1 4275 1 1 12646 7783 555.3495 *555.3507* C25 H41 N13 O2 3337 1 1 1 4484 1 4063 4765 1 1 2716 3746 1 1 1 1 1 1 4592 5006 1 5566 1 1 1 1 1 1 6427 4380 10528 11001 7517 7911 1 1 6366 6134 8861 5263 1 5077 7553 1 1 5528 6607 7857 1 1 4355 9539 1 1 1 1 8401 8155 8290 8788 1 4384 1 1 1 4371 1 1 1 5798 3737 1 5618 1 1 1 6382 6137 7687 7682 1 1 4851 1 9872 9659 1 1 8611 9244 555.3507 *555.728* 555.728@0.8479891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.728 *555.7367* 555.7367@0.847468 1 1 2730 1 1 1 1 2478 1 1 1 1 1 1 1 1 2840 1 1 2871 2854 1 1 2625 1 2725 2493 2279 1 2852 2474 1 1 1 2270 1 1 2638 1 1 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2833 1 1 2272 1 1 1 1 1 2591 2460 2805 2797 2945 3015 1 1 2925 2857 2722 1 1 2928 1 2679 1 1 2814 1 2454 1 1 1 1 1 555.7367 *555.87* 555.87@0.79673755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 555.87 *555.9792* C24 H4 N4 O13 5886 6526 1 4595 4034 4363 3120 3066 3382 4286 5628 1 3969 3501 3764 4540 3436 3485 3538 3948 5104 4363 3955 4570 3942 4589 5177 4420 5318 5134 4456 4172 5383 5519 5431 4419 4869 4754 5305 5341 3619 4476 5010 4958 4386 4639 4925 4611 4089 3668 4771 4745 1 1 4243 3978 3296 3509 4242 4466 5838 5994 1 4644 3752 4408 3647 3918 1 3505 3901 3905 4826 4345 4379 4549 5586 5540 3585 4541 4955 4724 6086 6504 3658 3656 5530 5287 5238 5299 555.9792 *556.1603* C16 H32 N2 O19 43388 42494 21547 21917 36309 36139 35108 35708 38748 38434 31739 28030 35746 34358 31569 32510 36776 34788 33860 34701 29342 28533 39547 38859 38193 39029 33074 33293 30123 30702 24557 23835 14747 15588 22860 22398 29543 30581 13822 13319 29233 28781 59498 57455 27566 28703 31760 31442 29518 30149 43406 43322 31021 30158 13860 14580 16528 17889 32924 34208 35186 36434 26473 27824 35072 35650 30250 29345 33046 31356 27928 27718 21731 22166 29879 31419 34797 34524 20523 20902 14802 14654 18317 17847 29234 30281 21233 21085 63161 60437 556.1603 *556.3525* 556.3525@11.834125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2908 556.3525 *556.4608* 556.4608@14.216772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.4608 *557.3289* C24 H39 N13 O3 1 1 2975 3216 1 1 3477 3905 2467 1 4365 3489 1 1 1 1 1 1 5169 4751 1 1 3808 3411 1 1 2873 2970 3147 2759 1 1 4604 4343 1 1 1 1 2758 2495 4816 4590 2028 1 1 1 1 1 2401 1 3152 2896 1 1 2505 2908 3332 4012 2505 1 1 1 1 1 1 2038 3254 3199 1 1 4099 4350 1 1 1 1 1685 1 1 2727 3175 4751 1 1 3862 3852 2598 2166 1 1 557.3289 *557.33* C24 H39 N13 O3 - 8.124197 1 1 3135 2843 1 1 3618 3220 1 1 4154 4059 1 1 1 1 1 1 4424 4340 1 1 3572 3573 1 1 3220 2735 1 1 1 1 3727 3632 1 1 1 1 1 3391 4343 4654 1 1 1 1 1 1 1 1 3192 2146 1 1 1 2550 3985 2953 3041 1 1 1 1 1 1 1 2635 2801 1 1 4545 3593 1 1 1 1 1 1 1 2345 2827 2470 1 1 3228 3276 2316 3167 1 1 557.33 *557.7295* C10 H Cl3 N2 O9 S5 3112 3130 3636 3777 3452 3372 4123 3893 3598 3548 2858 3321 3856 3611 5209 3694 3974 3746 3598 3450 3836 3429 3875 3482 3834 1 3726 3687 3929 3411 3728 3632 3768 3923 3518 3250 4021 3589 3558 5067 3725 3486 3423 3631 3675 3894 3866 3383 3355 5820 3440 3655 1 3916 5682 3703 3849 3532 3224 1 3648 3555 3234 3302 3601 3292 4046 4055 3656 3763 3468 3588 3836 5587 3989 4318 4458 4082 3944 3734 4192 4344 3559 3778 1 3657 1 3478 3399 3556 557.7295 *557.9134* 557.9134@0.82282466 1 6074 1 1 1 1 1 2366 1 4001 1 10075 1 1 1 8457 1 4106 1 6319 1 3276 1 1 4897 1 1 1 1 3829 1 1 1 5008 1 4840 1 1 8875 8569 1 1 1 1 1 1 1 1 4656 1 1 1 1 1 1 1 2726 1 1 4164 5748 5379 5019 1 1 3906 1 3804 1 3708 4159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7598 1 1 1 557.9134 *558.4595* 558.4595@14.131817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3663 5359 1 1 1 1 1 1 15973 22518 8832 1 1 1 1 1 1 1 7826 1 1 1 7319 1 1 1 1 1 6563 8742 1 1 1 1 1 1 6753 7762 7866 1 1 1 1 1 1 1 1 1 6328 10255 1 1 1 1 1 1 1 7795 1 1 1 558.4595 *558.4599* 558.4599@14.447791 1 1 1 1 1 1 1 1 1 1 1 9263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6368 10483 2705 1 1 1 1 1 1 1 42747 1 1 1 1 1 1 1 11367 1 13171 3851 1 1 14086 2871 1 1 1 1 20152 4921 1 1 1 1 1 1 1 5101 1 8452 1 6542 1 1 1 1 1 1 5400 6307 1 1 1 1 1 1 14257 1 1 1 1 558.4599 *558.461* 558.461@14.467906 1 1 1 1 1 9001 7372 1 1 1 1 1 9541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 1 1 1 12649 1 1 1 1 1 14545 11467 1 1 8607 1 1 16417 13025 10329 1 1 1 1 1 1 1 1 1 9626 1 1 1 1 1 1 1 1 13879 1 1 1 558.461 *558.4617* 558.4617@14.474031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5413 1 1 1 1 1 1 1 1 41023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.4617 *559.7236* 559.7236@0.844033 1 1 1 1 1 1 1 1 1 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.7236 *559.7267* 559.7267@0.84674954 1 2260 2045 2389 2200 1 4062 2330 1 1 1 1 1 1925 2537 1753 1 1 1 1 1 1 2313 1 1 1 1678 1 1 1 1 1 2200 2097 3202 1 1 2155 1 2485 3680 1 2024 2381 2052 1 1 1 1973 1750 1 1 1 2308 1 2351 1 2132 2583 2356 1 1 1 1 1929 1 1 2312 5335 1936 1 1884 1 2615 1 2165 1931 1 1 2274 3776 2001 1 2028 1 2298 1 1 2300 2146 559.7267 *559.7999* 559.7999@0.8394629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3586 1 1 1 1 1 1 1 3659 1 1 1 1 1 559.7999 *559.8067* 559.8067@0.83439654 1 1 1 1 1 1 1 2777 1 2440 1 1 1645 1 1577 1 3106 1536 1 3215 1 1 1 1641 1646 3007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 1 2801 3272 3035 1 2850 2992 1 1 2679 1 2262 3321 3061 2972 2907 2673 1 1 1 1 2622 1 1 3074 3469 3363 1 1 1 2671 3586 1 1 1 1 1 2922 3357 1 1 1 1848 1 1 1 1 559.8067 *559.8847* 559.8847@0.82596403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3439 1 1 1 1 1 1 1 559.8847 *559.8966* 559.8966@0.82455903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3004 1 1 1 1 1 1 1 1 1 3628 1 1 3679 3664 1 3751 1 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 2957 1 3980 3690 1 1 1 1 1 1 1 1 3735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2937 559.8966 *559.9039* 559.9039@0.8235396 1 4758 1 3123 1 1 1 2937 2571 3882 1 1 1 3404 3041 1 3327 3198 3077 1 1 1 3740 1 4604 1 1 1 1 1 2838 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 1 1 1 2350 2403 2891 3235 2775 1 3336 2952 1 5364 1 1 2934 3055 1 3033 2556 1697 2922 1 1 3546 3442 2243 1 2622 3252 1 1 1942 1 1 1 1 1 3520 1 1 559.9039 *560.0487* C22 H24 O11 S3 1 1 1 1 3138 2773 1 1 1 1 1 1 1 1 4349 4162 1 1 4124 4421 4850 4639 1 1 3030 3156 6006 5691 4798 4799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 2616 1697 1811 1 1 8082 8228 2063 1944 1 1 2136 2126 7452 7136 7226 6791 1 1 1892 2107 7402 7925 1571 1808 6158 5187 4609 4536 4836 4697 5618 6145 560.0487 *560.1347* 560.1347@6.71705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.1347 *560.2263* 560.2263@4.057107 1 1 1 1 1 1 1 1 1 1 1 1 6340 6142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.2263 *560.3001* 560.3001@5.0218654 1 1 1 1 1 1 1 1 1 1 1 1 6408 6700 1 1 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3001 *560.474* 560.474@14.188732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9116 8954 1 1 1 1 1 6315 18401 8083 1 1 1 4840 1 1 7683 6299 1 1 9574 9529 1 1 1 1 8021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5914 8530 1 1 1 1 6374 1 1 1 12122 12229 560.474 *560.4757* 560.4757@13.620226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4964 1 1 1 1 1 1 3943 1 1 1 11354 11317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5130 1 1 1 1 1 1 1 1 1 1 560.4757 *561.4788* 561.4788@14.188695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.4788 *561.8094* 561.8094@0.8338608 1 1 1 1 1 1 2747 1 1 2263 1 1 2599 2721 3005 1 1 1 2883 2954 2928 1 2748 1 1 1 1 1 1 1 1 1 1 1 1 1 2946 2780 1 1 1 1 1 2835 1 1 1 1 3328 1 2786 1 3096 1 1 2592 2572 1 1 1 1 1 1 1 1 1 3245 3072 3086 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 2864 1 1 1 1 1 561.8094 *561.9834* 561.9834@0.8129828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4909 1 1 1 1 1 561.9834 *561.9883* C19 H14 O18 S 6920 7093 5538 5407 5080 4400 3229 2656 4006 4749 6324 5531 4440 4754 4879 5459 4819 3433 5081 4601 5664 5378 5276 4459 5422 5168 5381 6366 5907 6203 4809 3102 5301 4643 1 1 5308 5817 5145 5384 4730 4074 1 5780 5355 4998 5216 4776 4051 4167 5046 4283 3440 3661 5444 4507 1 3999 5315 5182 6825 7489 6049 7161 4747 4471 3704 4748 3683 1 4897 4877 5299 4682 1 1 5450 5832 3589 4462 5106 4757 6086 1 1 4514 4955 5280 5246 6209 561.9883 *562.161* 562.161@8.223962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6742 6756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.161 *563.3194* 563.3194@10.05747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 1 2898 3428 1 1 1 1 2918 2790 1 1 2366 2931 1 1 1 1 3104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4008 3896 1 1 1 1 563.3194 *563.8386* 563.8386@0.8380285 1 1 1 1 1 1 1 3847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.8386 *563.8464* C15 H7 Cl3 N8 S5 1 12747 4001 3994 4151 4199 1 1 4306 1 1 1 4225 4034 4627 4530 4185 1 3979 1 3978 8763 3960 3935 4334 4299 4352 5134 4181 2329 4451 4728 4429 4101 5067 4812 4150 5102 4526 4457 4315 4054 4619 3688 4117 3973 4278 4272 4027 3553 4228 4491 1 3937 1 4010 1 5764 4479 4822 1 1 4905 4584 4119 9990 1 1 3823 1 9285 3868 3992 4198 3977 3947 3851 1 4179 4085 4567 3802 4346 4463 4139 3750 4443 4802 3976 4058 563.8464 *563.8554* 563.8554@0.84378827 5282 1 1 1 1 1 1 1 1 1 10530 11897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12942 11774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.8554 *563.8741* 563.8741@0.7859495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 563.8741 *564.1471* 564.1471@0.9091326 1426 1 1 1 1 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1801 2424 564.1471 *564.5073* 564.5073@14.231456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47066 564.5073 *565.3329* 565.3329@10.811169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7521 3766 3094 1 1 1 1 1 6133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3926 565.3329 *565.3347* C26 H39 N13 O2 5552 5934 9193 9754 8475 8582 14777 15049 8595 8586 6622 6523 8799 9184 11153 11560 6340 5805 7069 6633 7776 7600 7293 6877 7017 7292 6600 6443 10739 10964 17292 18188 16535 15919 3492 3148 19845 19990 21640 21448 22979 23107 9121 9429 12216 11793 24762 24773 11964 12646 27123 26618 7536 7585 17412 17171 35672 36000 26491 25290 20275 19862 7918 8291 16962 17466 11562 12616 28575 29427 13414 13558 17457 16379 10432 10940 14110 13358 13279 13706 8867 8689 12641 12571 23293 23032 7291 7501 21589 21164 565.3347 *565.3352* C26 H39 N13 O2 - 10.676824 131276 129505 127248 124918 116011 113270 214225 214089 122771 124169 137803 115208 121665 121888 147860 147886 75714 75720 140620 138290 141967 140827 137908 135787 105776 101952 115135 113904 198030 198009 307251 306838 282089 278270 56732 56607 266142 261973 237653 239105 319748 320579 123588 125869 156292 157858 327445 327202 162343 159004 351109 341511 104699 106694 239859 243733 483563 474513 337119 336613 280351 284789 105839 105590 188897 187957 154661 152159 376929 374671 175119 170814 219896 205178 132422 131682 179752 179811 166189 166655 162530 158118 156294 152459 343016 334710 135046 135350 355663 304315 565.3352 *565.3352* 565.3352@10.747293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3766 47065 565.3352 *565.3358* 565.3358@10.839907 1 1 1 1 1 1 1 3839 1 1 1 21895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3927 7012 4329 4942 1 1 1 1 1956 4028 1 5457 1 1 1 1 5113 6248 1 1 4846 3660 1 1 3572 1 8332 8645 4336 1 1 1 1 1 3589 1 1 1 4850 5659 1 1 1 9147 1 1 3344 1 1 1 1 1 1 1 4561 4060 1 1 7768 8413 565.3358 *565.6204* 565.6204@10.6853895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.6204 *565.6743* 565.6743@0.85496014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.6743 *565.752* 565.752@0.850068 1816 1 1 1 1 1 1 1 1 1 1 1 2047 1 1 1 1 1 1 1724 1 1 1 1 1 1 2429 1 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1908 1 1 1 1815 1 1 1 1 1 1 1775 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1 1913 1 1650 1964 1 1 1 1 1 1 1 1 1 565.752 *565.7613* 565.7613@0.8457489 1 1 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.7613 *565.7698* 565.7698@0.8476599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1612 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.7698 *565.8037* 565.8037@0.827004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.8037 *565.8185* 565.8185@0.8449664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5779 1 565.8185 *565.8249* 565.8249@0.83650106 1 1 1 4149 1 1 1 3198 2316 1 1 1 1 4399 4346 4447 1 1 1 1 1 1 1598 4902 3827 1 1 1 1 1 4755 4248 2296 1 1 1 5612 1 3391 1 1 6479 1 1 2018 4051 1 1 1 1 1 1 1 1 1 1 4238 1655 1 1 1 1 1 1 1519 1 2373 5272 1 1 3816 1 4300 1542 1973 3750 1 1 1 4375 3547 1 1 4690 1 1964 1 1 1 1 565.8249 *565.8353* C23 H2 O8 S5 2974 2931 4052 3672 6411 5500 4893 4175 5267 5360 6392 5711 6551 6311 7188 7127 6032 5536 7186 7298 9558 8747 7185 7352 5095 4809 5601 6120 4307 4312 9921 9964 6083 6016 4926 5228 5254 5790 5580 5438 5691 6174 5355 4964 5482 5885 6347 5986 6217 7278 8918 9497 5930 5719 6966 1 8400 8369 5588 5509 3542 3672 3728 3792 10010 9645 7962 8058 9067 8080 7278 7055 5712 5226 7422 7034 6866 6375 6751 6766 4934 4943 3356 3441 6756 7143 5849 5810 4811 5056 565.8353 *565.8397* 565.8397@0.8415646 7468 1 4290 1 1 1 1 1 1 1 3363 1 4382 1 1 1 2520 4195 1 1 1 1 2436 1 1 3161 1 5101 1 2522 1 1 1 1 1405 7557 1 2212 2361 1990 4080 1 1 1 1 1 2415 4082 1 1 5963 1 3312 1 1 1 1 1 4707 4763 1 1 7612 7294 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 4674 4916 1 1 565.8397 *565.959* 565.959@3.8447812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.959 *566.3044* 566.3044@7.293755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3044 *566.3048* 566.3048@6.979599 1 1 1 1 11139 11261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3051 3221 1 1 1 1 1 1 1 1 4066 1 1 1 3235 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 3027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3048 *566.3064* 566.3064@8.080385 1 1 1 1 5680 5285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3064 *566.3244* 566.3244@5.108734 3430 1 3130 3066 1 1 1 2707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3244 *566.3397* 566.3397@10.726959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3397 *567.3496* C33 H49 N3 O3 S 3232 3412 6795 6743 7301 7192 6998 6340 4991 5260 1 3378 4952 4298 5644 5866 1 1 5449 5415 4047 5042 1 1 1 1 1 1 6298 5975 13367 14216 8874 8554 1 1 11549 10743 14143 13869 7978 8660 7986 8048 1 7133 13861 14821 5029 5137 15233 14434 1 1 6914 6905 17913 17423 13365 11833 8580 8018 3287 3663 12364 13328 7561 1 16469 16081 9367 8694 8962 8742 5123 4732 9838 9465 9205 10221 4038 4015 7580 6159 7834 8725 1 1 11415 1665 567.3496 *567.3499* C33 H49 N3 O3 S - 11.6012745 6219 6727 6416 9342 10579 9540 12259 13304 9511 7473 6120 6929 6593 6643 10690 9906 5033 6063 7514 7156 13017 15345 6428 6870 7587 9669 7718 9011 14171 10936 21045 24990 23357 21036 5487 4744 13779 15319 24670 3599 18623 18743 12306 3918 13762 15404 23306 27992 9333 8415 15144 13424 6655 7662 11848 12289 53299 52059 20704 22437 12194 11563 7832 7345 7021 7177 10864 13442 15000 13824 7981 6007 23106 17605 6831 9217 11660 14189 20202 19672 9189 10901 12345 11829 23790 31718 7170 6361 26566 26925 567.3499 *567.3507* C26 H41 N13 O2 89826 90470 103056 103361 103474 103379 103688 106244 82124 80319 79832 80344 83551 82034 85008 86283 41305 42430 132944 136719 99845 103822 70244 68745 55724 52968 74289 73332 134383 128154 322421 318432 179241 176894 40637 41204 176773 179899 209287 204925 140206 139981 122432 121057 115237 115974 214508 212036 82766 81404 223209 228505 55394 55300 127509 130465 283259 283094 210707 209548 128790 130621 57090 54152 176597 176521 108714 110264 236166 239837 130040 126474 152743 148115 78400 81883 154299 157201 150629 151905 104290 102707 108630 108948 177143 179550 60796 59258 298928 298423 567.3507 *567.3513* 567.3513@11.420536 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4782 1 1 1 1 1 1 1 1 1 16951 1 1 1 10109 7326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 1 1 1 7127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11838 567.3513 *567.7556* C12 H3 Cl3 N2 O8 S5 3321 3583 6530 3989 3572 3405 3602 3523 2996 3470 2860 3150 3506 3325 3297 3492 1 3667 5964 3866 1 1 3468 1 3702 4145 3638 3077 3652 1 1 3486 3612 3675 2620 1 3419 3174 1 3192 1 3407 3775 3656 3403 3071 2302 3420 2461 1 3380 3125 3593 1 3779 3950 3423 3211 3704 3496 3284 3098 1 3309 3727 1 1 3986 3734 1 4023 6399 3257 3907 1 4041 3652 3862 3548 3529 2644 3891 3596 3149 3235 3404 1 3642 3657 3541 567.7556 *567.769* 567.769@0.8389943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.769 *567.8799* 567.8799@0.83198506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.8799 *567.9346* C14 H17 Cl N2 O12 S4 10081 1 1 7752 5291 1 1 2462 5980 1 1 6158 6162 1 7058 3084 1 1 1 4525 1 6233 7118 3350 6048 4668 1 8412 8481 6265 1 1 1 5149 3719 1 7882 1 4295 4600 2901 6582 1 6805 5622 3527 1 1 5872 5139 1 5851 1 3271 5527 5458 1 5496 3801 5750 7239 8682 3752 4559 1 5300 4820 4386 1 4819 4650 3323 7734 1 3087 4880 4709 4857 1 7033 1 1 3935 1 3661 1 5984 1 1 1 567.9346 *567.9395* 567.9395@0.8159971 1 4624 1 1 1 2852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4288 1 1 1 1 1 1 567.9395 *568.1563* 568.1563@0.92300135 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2149 1 1 1 1 1 568.1563 *568.3209* 568.3209@8.07781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4478 4823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5005 1 12441 11090 1 1 1 1 1 1 1 1 1 1 4661 4517 1 1 1 1 1 1 1 1 1 1 568.3209 *568.3236* 568.3236@7.3092217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4443 4378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2627 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3236 *568.3349* 568.3349@13.599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3349 *568.466* 568.466@14.654146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.466 *569.3656* 569.3656@12.465619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10185 1 1 1 1 1 569.3656 *569.3658* C25 H47 N9 O6 1 1 6742 6039 11659 11713 9544 9252 7811 7555 1 1 8924 8466 8668 8784 5181 4686 6219 6043 7016 6895 1 1 4505 4180 4256 4323 7100 5661 16039 16859 11587 11400 1 1 18509 19809 33180 31846 13010 11881 15046 15823 11146 10176 20413 21623 9132 7903 22331 20842 5276 5129 9598 10580 20855 20721 18784 20730 10619 10134 1 1 14879 15385 10157 10426 18530 18882 8282 8155 15432 14722 8186 7704 15453 14687 18358 19072 3621 4046 11594 10655 11604 11916 1 1 17879 18458 569.3658 *569.3664* C26 H43 N13 O2 125131 125301 90919 92886 152933 150761 156996 156782 96608 97656 103978 101501 121919 124726 119101 122842 68496 68538 195130 193710 168249 169666 97255 93060 81113 77441 122468 120823 185289 167931 355223 358715 284085 278610 73454 76710 235217 231242 442489 434995 174724 169938 214268 222581 142771 147053 270338 263508 120318 122343 292796 289207 95920 94769 149975 162165 276791 279557 272988 279455 138380 141108 46999 45073 190869 187681 126412 133530 241825 240896 112332 113059 197115 192825 104933 107327 183210 178992 231277 227746 143979 144365 159872 160330 348905 355420 70363 70149 433782 430208 569.3664 *569.7586* 569.7586@0.8507525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2379 1 1 1 1 1 1 1 2428 1 1 1 1 1 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.7586 *569.8413* 569.8413@0.81947017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 1 1 1 1 1 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.8413 *569.8478* C14 H7 Cl N4 O9 S5 1 1 1 2672 1800 3323 3107 3566 2942 1 1 1 4298 3078 3465 4303 2415 2384 3297 1 1198 1949 1 1 3381 3423 4511 1 1 1 3707 1 1 1925 1 1 1 1 1 1 2507 3945 3954 1 3545 4246 2448 3165 4255 1 1 3693 3237 2183 4635 4953 1 4394 1 3512 1 1 1 1 4507 1 1 3775 4738 3858 1 3329 3513 3520 3013 1 1 1 1 3101 3466 2073 3637 1 3772 1 1 1 3864 1 569.8478 *569.8606* 569.8606@0.82382876 1 1 1 1 1 1 1 1 1 2993 1 1 1 1 1 1 1 1 1 1 1 1 2201 1 1 1 1 1 1 1 1 1 1 1 1 3316 1 7205 1 3549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.8606 *569.8702* 569.8702@0.82498336 1 1 5368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2426 1 1 1 1 1 1 1 4757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10006 1 1 1 1 2250 1 1 1 1 1 1 1 1 1 1 5697 1 1 1 1 1 1 1 1 1 1 1 1 1 569.8702 *569.8741* 569.8741@0.82312196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1 1 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2169 1 1 1 1 1 1 1 1 1 1 1 1 1 6592 1 1 1 1 1 1 1 1 1 1 1 2212 1 7459 569.8741 *569.8984* 569.8984@0.81977147 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 569.8984 *569.9152* 569.9152@0.8175197 2454 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.9152 *569.937* 569.937@0.8169565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.937 *570.3674* 570.3674@12.529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.3674 *570.3694* 570.3694@12.444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.3694 *570.4812* 570.4812@14.660618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.4812 *571.2161* 571.2161@3.1664786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 1 1633 1 1 1 1875 2037 1 1 1 1 1895 2107 2212 1 1 1 2942 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 2601 1 1 1 1 1 1 571.2161 *571.8498* C11 H11 Cl3 N6 O5 S5 1 1 1812 1 2392 1 1 1 1 2634 1598 1 2685 2380 1 2319 2873 1 2939 1 1 1 3574 3876 1 1 2323 1701 6225 1 1 3408 1 1768 1 1 2037 3035 1 1 1 2576 2165 1 2754 2473 1 2823 1 3736 2884 1 1 6392 4099 4080 2621 4894 2842 1 1 1 1887 1 3737 2492 2662 1 2989 1 4164 2962 1 1 1 4087 1 1 2009 1 1 2098 1 1 1 1 1 2036 3054 1 571.8498 *571.9279* 571.9279@0.8144276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1972 1 1 1 571.9279 *571.942* 571.942@0.811183 1 1 1351 1547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1148 1 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1903 1 1 1 1 1 1 1615 1 1 1121 1 1 1 1 1 1 1 1530 1829 1 1 1 1 1 1 1 571.942 *572.1994* 572.1994@6.6519785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 2833 1 1 1 1 1 1 1 1 572.1994 *572.2077* 572.2077@8.391412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4996 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5103 4997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.2077 *573.6901* 573.6901@0.8494984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4250 1 573.6901 *573.6948* 573.6948@0.8486681 3739 1 1 1 1 1 1 1 1 1 1 5955 1 1 7022 1 1 1 1 1 1 1 1 1 1966 1 4169 1 1 1 1 1 6952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7131 1 1 1 1 2106 1 1 1 1 1 1 1 1 1 1 9813 1 2340 1 1 1 4902 1 1 11133 4047 1 1 1 1 1 1 8080 1 5783 9316 1 1 1 573.6948 *573.7103* 573.7103@0.8459906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.7103 *573.8675* 573.8675@0.8126559 1 1 4457 1998 1 1 1 1 1 1 1 1 3037 1 1 1 1 1 3044 2432 1 1 1 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 1 1 1 3163 1 1 1 1 1 1 1 2440 2794 2883 3561 2716 1 1 3020 1 1 1 1 1 1 3231 2775 2825 2964 1 1 1 1 1 1 3187 1 1 1 4116 3254 1 1 1 1 1 1 1 1 573.8675 *573.8756* C19 H7 Cl O13 S3 1 1 1 1 2448 3036 2218 3095 3015 2485 3724 6318 1 2260 2717 3816 2891 2608 1 1 2247 3051 3296 1 3131 2957 1953 3141 3212 2373 4390 3139 5157 3193 2545 3335 3256 2221 3133 2025 1 4803 3404 3092 1 3034 4201 2755 2556 1958 1 4351 1 1 1 1 1 3373 3235 1 3147 3319 3424 3235 2749 2947 1 1 1 1 3284 3309 3103 3106 3020 3251 1 3273 3391 4785 1 1 1814 3196 4697 2416 2445 2881 3175 4385 573.8756 *573.8858* 573.8858@0.8220199 5686 1982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.8858 *574.4555* 574.4555@14.829038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10584 5926 1 1 7741 11728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4555 *574.4556* 574.4556@14.720718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4556 *574.4565* C32 H66 N2 O2 S2 1 1 1 1 5498 5333 1 1 1 1 4907 4722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8610 6512 4587 4132 8693 5527 1 1 11526 10610 1 3653 5346 4705 1 1 3874 5997 5763 4314 5246 4737 7143 8234 1 1 1 3854 9497 10143 6003 5519 4177 5451 1 1 5702 5893 5707 6626 5223 3944 1 1 4691 3905 1 1 7229 7225 1 3666 1 1 3772 1 5976 5819 1 1 1 1 574.4565 *574.9553* 574.9553@4.0879974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2320 3054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.9553 *575.5817* 575.5817@0.8529919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.5817 *575.7002* 575.7002@0.850513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2966 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.7002 *575.7782* 575.7782@0.8486449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 2766 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4901 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 575.7782 *575.7903* 575.7903@0.84613246 2902 1 1 1 1 1 2756 2321 1 1 1 1 1 1 1 1 6797 1 2838 1 1 1 2961 1 1 2288 2811 2342 2532 3059 1 1 1 1 1 1 2503 1 1 1 1 1 1 2531 1 1 2422 1 6108 1 1 1 1 1 3059 1 1 1 1 1 1 1 1 1 1 1 2973 1 1 2467 1 1 1 1 5490 1 1 1782 1 1 1 1 2224 1 1 1612 1 1 1 2707 575.7903 *575.7957* 575.7957@0.8380247 1 1 3187 1 1 1 1 1 1 1 1 1 1 1 1 5597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.7957 *575.8346* 575.8346@0.8139925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.8346 *575.8607* 575.8607@0.8160316 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.8607 *575.8841* 575.8841@0.82143664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 1 1 1 575.8841 *576.1753* 576.1753@7.9056807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6387 6906 1 1 1 1 1 1 1 1 576.1753 *576.3646* 576.3646@13.598971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3488 5205 8157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.3646 *576.4691* 576.4691@14.220776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.4691 *577.5739* C34 H71 N7 1 1 1 1 2408 1 2698 1 2534 2946 1 1 2535 1 1 2461 1 2692 2471 1 1 1 1 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 2356 1 1 1 1 2124 1 3021 2973 2498 1 2939 3097 3021 2746 4045 2786 2755 1 3213 2936 1 2762 1 1 2369 2144 3608 2679 2316 2829 3117 3150 1 2443 1 2754 2862 3167 1 1 2837 2835 2998 3037 1 2592 2326 1 1 2792 1 2771 577.5739 *577.6713* 577.6713@0.8499503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.6713 *577.7737* 577.7737@0.84745777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5724 1 1 1 1 1 1 1 1 1 1 1 577.7737 *577.7858* 577.7858@0.84457326 1 3031 1 3160 1 1 2996 1 1 1 1 2618 2796 6725 1 10268 8316 1 1 2878 1 3303 1 1 1789 2458 3287 2979 8621 6964 2936 3146 1 2986 1 1 1 3038 10389 1 10246 1 1 1 1 1 1 3035 5459 1 1 1 1 1 2916 5551 1 1 1 1 9008 2841 7755 1 5775 1 2895 2295 1 1 3045 3221 5895 1 1 1 4555 5940 1 1 4625 3383 1 1 1 1 2150 1 1 2919 577.7858 *577.864* 577.864@0.8016359 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 1 1 2729 1 1 1 1 1 577.864 *577.8677* 577.8677@0.80024225 1 1 1 1 1583 1 1 1 2019 1 1 1 1 1750 1883 1 1 1 1 1 1 2207 1 1 1 1 1 1 1 1806 2212 2071 1 1 1734 1 1 2321 1 1858 1782 1 1 1 1773 1 1 1 1 1899 1 1 1872 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2609 1 2179 1 1 1 1 1 1 1 1 1 1 1 1 1 1956 1662 1 1 1 577.8677 *577.9524* 577.9524@0.8086812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5741 1 1 1 1 1 1 5415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.9524 *577.9607* C15 H18 N2 O14 S4 5210 3295 2128 1785 1 2153 1 1 3902 1876 8530 7503 1 4479 4707 1770 1 1 1487 1 5757 2185 2265 5062 1 1 5359 2730 6692 2749 1905 4191 1853 5601 5586 6007 6595 2201 1 2145 1 1 5327 1 4861 1 5163 4736 1 4671 1 1 1614 3974 4305 1957 3469 1 5361 4886 7613 7908 6654 3165 1 1 1669 1 1 1 4781 2545 2197 1 4579 4846 1 5437 4970 1 1 1718 1 6700 4008 5268 6337 1 5849 1 577.9607 *578.1302* 578.1302@5.3367844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2509 2713 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.1302 *578.3445* 578.3445@13.298145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.3445 *578.3796* 578.3796@14.236749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6143 6416 1 1 1 1 578.3796 *579.5717* 579.5717@0.85670155 1 1 1 1 1 1 1 1 1 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 1 1 2392 1 1 2213 2627 1 1575 2957 1399 1 2354 2258 1 1 1 1 1 1 2418 1559 2372 1 2790 2034 1 1 1 1965 1 1 1 1 1727 1 1 1 1 1 1 1 1 1 1 1 579.5717 *579.6458* 579.6458@0.8459698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1 1 2460 1 3477 1 1 1 1 1 1 1 1 1 1 1 1 1 2027 2602 1 1 1 1 1 1 2496 1 1 1 1 2639 1 1 1 1 1 1 1 1 579.6458 *579.7959* 579.7959@0.8440404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3929 1 1 2859 1 1 1 1 1 1 1 4242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.7959 *579.8099* 579.8099@0.84478635 1 1 1 1 2706 3952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4461 1 1 1 1 1 1 1 1 1 1 1 3539 1 1 5063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.8099 *579.8603* 579.8603@0.81006473 1 1 1 1 1 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.8603 *579.8661* C29 H2 Cl2 O6 S2 1 1 1 2382 2887 2492 1 1 3148 2832 1 2261 2485 1 2040 1 1 2586 2977 2257 1 2577 1471 1965 2761 2460 2214 2421 2324 2366 1824 1 1569 1 2370 1681 2206 1769 1609 1529 2027 2417 2458 2393 2958 2564 2543 2137 1 2409 2376 3010 2650 2240 2607 2540 3045 2055 2220 2363 1 1548 1830 2057 2003 1887 3383 1 2573 1 2424 2847 2377 2414 1 2833 1828 3071 2167 1612 1996 2308 2044 2345 2234 1559 2155 1654 1675 1 579.8661 *579.8771* 579.8771@0.8100334 1564 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.8771 *581.1353* 581.1353@4.341226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2796 2543 1 1 1 1 1 1 1 1 581.1353 *581.6392* 581.6392@0.84564084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1771 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 2434 2342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.6392 *581.6759* 581.6759@0.8440368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.6759 *581.8135* 581.8135@0.83301616 1 2687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.8135 *581.8697* 581.8697@0.8169956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 581.8697 *582.243* 582.243@8.285885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 746550 732013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.243 *582.4583* C37 H62 N2 O S 4537 4362 2832 2876 13651 13174 4058 4730 1 1 3203 3391 5457 5655 1 1 1 1 8263 7941 19618 20219 3927 4317 1 1 2534 1 19891 13166 26892 26237 15831 16929 1 1 41367 40169 73171 75523 4738 5156 11995 11107 27784 28293 24188 24607 2674 3169 69883 66868 3672 4275 5180 5312 28037 33313 28819 30387 3520 3711 1 1 12673 12877 8608 8566 6076 5509 8530 8168 10121 8720 11400 12122 12929 12002 29973 31423 8440 7521 5360 5471 45072 44350 1 1 136044 133012 582.4583 *582.5266* 582.5266@8.2863035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.5266 *582.8705* 582.8705@8.2863035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.8705 *583.5816* 583.5816@8.282471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.5816 *583.7196* 583.7196@0.8459535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.7196 *583.8524* 583.8524@0.83200103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.8524 *583.8839* C20 H8 O13 S4 1 4424 1 3862 4717 4208 4931 3734 4635 2964 3317 1 3407 4703 4443 4537 4177 4376 5418 3653 4583 1 1 1 1 5045 3243 4699 4555 3642 1 5110 2801 1 3253 4489 4847 1 3519 5597 3358 4465 4547 3688 4505 4729 3552 4859 4969 4598 3408 2929 4713 4776 4476 3283 4815 4707 6236 1 4663 4039 2987 3913 4036 1 5387 1 4716 4930 1 4395 3513 5118 3797 3579 5434 5410 3587 5136 3619 3442 5999 5134 4994 3757 3368 5095 4776 1 583.8839 *583.8932* 583.8932@0.81101257 1 1 1 1 1 1 1 1 1 1 1 3195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.8932 *584.2586* 584.2586@14.859292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6841 5855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6527 6359 1 1 1 1 1 1 1 1 584.2586 *584.2594* 584.2594@14.577228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5360 4761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5546 1 1 1 1 1 1 1 1 1 1 1 5094 4681 1 1 1 1 1 1 1 1 584.2594 *584.2597* Bilirubin 1 1 6999 7296 1 3394 1 1 3481 3862 5525 5341 5245 5565 3382 3371 1 3186 3580 3483 4798 4974 4899 4810 1 1 3325 3181 13507 13063 8413 7825 12340 11782 1 1 11240 10862 8396 7943 4403 4502 6158 5447 9366 9246 4869 4874 5113 4854 6588 5876 1 2034 1 1 8885 8535 16966 17494 1 1 4058 3174 4467 3917 5042 4462 4429 4705 5743 5835 14117 14247 5246 5595 4748 4166 5907 5336 3511 1 1 1 1 1 1 1 4546 4738 HMDB00054 C00486 584.2597 *584.2608* Bilirubin - 14.711075 198826 200615 398369 400060 159823 159458 65758 65375 196316 192995 97196 259486 167420 169506 129456 129709 117751 118998 324935 324278 217973 218098 350986 334569 94655 97519 277809 275500 364124 357070 154408 158673 461068 429102 107557 104782 248669 281030 224260 200544 214354 206760 137322 141404 322864 328824 196283 185525 257850 257153 180563 194107 168153 151601 172247 183656 303566 305543 477094 455032 189030 208815 124455 135495 207041 207918 195509 186998 238388 260212 451072 439885 307210 317063 323531 330726 277752 276480 336852 335603 366363 354277 406963 414654 100516 99404 292762 261956 116120 144349 HMDB00054 C00486 584.2608 *584.3149* 584.3149@7.3325105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4487 5900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.3149 *584.3155* 584.3155@6.1505866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.3155 *584.3165* 584.3165@6.975595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7801 7606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3145 1 7695 7788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.3165 *585.3597* 585.3597@11.206879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4531 4408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3906 1 1 1 1 1 1 1 1 1 3367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4490 4824 1 1 5469 4686 585.3597 *585.8347* 585.8347@0.82789487 1979 1 1 5909 6630 6643 4025 1655 1 1 1 1 1 6361 1 1 1 3887 6373 2129 2355 1 1 1 1 5474 3785 1 1 1 1 4096 5404 1 6153 1 4152 6076 1 1 3275 1 5462 1 1 4134 1 1 1 1 1 5747 4793 3165 1 1 4485 4329 4755 1 1 1 1 1 5679 1 7055 1 1 1999 4494 6697 1 3755 6862 5938 1 3925 1 1 1 4754 1965 1 5614 1 1 1 5574 1 585.8347 *585.8382* C17 H2 N2 O14 S4 1 6341 5784 1 1 1 1 2287 2934 5961 6364 6886 4377 1 1 5602 4014 1 1 1 1 3681 1989 4080 1 1 1 5452 1 2713 6236 1 1 3732 1 8904 1 1 1 1 1 5268 1 3995 2848 1 3979 6432 3967 1 6537 1 1 1 1 2236 1 1 1 4262 4302 4147 4023 3506 1 4137 1 1 1 1 1 1 1 1 1 1 5847 1 4607 8080 3963 1 2212 2388 1 6301 2506 5179 1 3125 585.8382 *585.93* 585.93@4.849428 1 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.93 *586.194* 586.194@3.8568833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 2695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 2040 2408 1 1 1 1 1 1 1698 1625 2936 2313 1 1 1 1 3055 2457 3055 3434 2686 2855 1753 1 3110 3531 1 1 1 1 1850 1 586.194 *586.1944* 586.1944@3.7008348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 1812 2236 2222 1 1 1 1 1 1633 1 1 1 1 1 1 586.1944 *586.2146* 586.2146@6.7294054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4538 4177 1 1 1 1 1 1 1 1 586.2146 *586.4897* C37 H66 N2 O S 5875 5636 5569 5541 20845 21360 7752 8585 1 1 5625 4924 8019 8022 1 1 1 1 13851 13523 25915 25850 1 2894 1 1 1 1 28118 22971 68176 67779 29047 28860 1 1 41254 39883 95998 98990 4155 4175 26638 25768 32297 33198 30698 30902 1 1 93460 93056 4564 4633 4298 4744 33897 36731 33933 34730 1 1 1 1 20099 19493 6566 6912 9782 10507 11255 11201 12394 12154 8905 8510 16495 15394 46052 45260 9184 9240 7712 7731 31657 31513 1 1 160416 161138 586.4897 *586.4948* 586.4948@13.238099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6073 6559 1 1 1 1 1 1 8924 8341 1 1 1 1 1 1 1 1 1 1 3792 3857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9880 9706 586.4948 *587.2825* 587.2825@13.598589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5412 5628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.2825 *587.3189* 587.3189@10.0426655 4861 5440 1 1 1 1 1 1 1 1 3990 4431 1 1 1 1 1 1 7895 7924 4000 4387 6818 7067 1 1 1 1 4193 3455 1 1 3328 2957 1 1 1 1 1 1 1 1 5122 4862 8308 8921 6968 7506 1 1 4420 3984 1 1 1 1 3812 3633 3736 3650 1 1 1 1 12018 12480 3110 3266 5089 5464 13771 13484 1 1 1 1 3848 3979 1 2819 3401 3019 1 1 1 1 1 1 1 1 587.3189 *587.6841* 587.6841@0.84748566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3699 1 1 1 1 1 587.6841 *587.8326* 587.8326@0.82405686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.8326 *587.8388* 587.8388@0.82231915 1 1 1 1 1 1 1 1568 2451 1491 1 1 1 1 1 1 1 2569 1 1 1 1 1 1 1598 1 2959 1 1 1 1 4063 1 1 1 1 2756 1 2666 1 1 1 1 1 1 1790 1 1 1 1 1 1 2609 2880 1656 1 2936 1 1 1 1 1 1 1 1 1 1 3194 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 1 1 1 1 1 1 1 587.8388 *588.3628* 588.3628@8.964048 1 1 20056 1 1 1 25025 25861 20901 18957 1 1 24652 24461 1 1 1 21443 1 25562 1 34277 30759 29198 1 1 1 1 1 1 1 1 34875 34717 1 33225 37866 1 38355 1 38065 1 1 1 29755 28497 43343 42344 38792 37949 42499 1 31802 1 33155 1 1 34300 42409 1 1 1 19477 1 1 1 1 1 39122 1 1 35185 35787 1 1 1 1 1 1 1 1 1 30136 1 42413 1 37758 36696 45104 45500 588.3628 *588.5103* C34 H72 N2 O S2 8595 8471 6305 6551 11162 11535 8381 9039 5332 5691 9107 8116 8279 8032 6157 6270 5990 5934 8625 8734 12630 12882 7484 7843 6698 6972 6715 6881 11262 11061 16197 16574 14917 15395 7056 6379 15333 14371 24751 23675 7138 7350 14720 14619 13882 13148 14060 13422 6948 7366 18796 20071 8527 8197 8996 9167 11162 11621 13511 13114 6614 6553 5572 5162 14051 13381 8747 8661 10149 9670 9806 9763 10955 9806 9517 9971 11399 12332 17637 17605 10468 9695 8157 8390 15305 15493 5874 5452 30649 29594 588.5103 *589.171* 589.171@8.57638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10684 10746 1 1 1 1 1 1 1 1 589.171 *589.334* C28 H47 N9 O S2 1 1 3934 4022 4294 4279 4085 3828 3439 3725 1 2842 1 3041 1 1 1 1 1 2895 3752 4172 1 1 3674 3624 1 2848 3849 3443 6692 6734 3716 1 1 1 6986 7096 9250 8541 3085 1 5483 5686 4595 4461 9216 9226 3837 3899 14571 15942 1 1 4120 4483 12687 11872 9035 8930 6258 6556 3094 1 7325 7854 5463 5502 10505 10477 4270 4212 6970 6384 4109 4240 7939 7863 6099 6449 4062 4243 3896 5174 6208 6550 1 1 10613 10958 589.334 *589.3347* C28 H39 N13 O2 40250 42072 31651 31507 40199 38172 32326 33188 38943 29316 38639 37607 27400 26677 23333 23390 8853 8409 48747 47595 43119 46827 30841 30431 32171 31221 31277 30278 44425 43861 64152 65666 41516 41488 23771 23024 73962 74757 62978 62701 28926 29741 60645 60662 41463 41002 85560 86782 40564 38598 148022 150617 12186 12534 45270 47603 125757 124362 88408 87013 68168 69122 26793 27173 55723 56743 52975 51280 94193 92857 34683 34497 64331 63402 42483 42370 79255 78701 48992 48427 44533 44429 47560 45725 45063 43939 29694 30147 120604 121749 589.3347 *589.3358* 589.3358@10.664198 1 1 1 1 1 1 1 1 1 9249 1 1 1 1 1 1 1 1 1 1 4251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.3358 *589.6741* 589.6741@0.845836 1 1 1 2387 2308 2053 1 2792 2415 1 1 1 2424 2665 1 2604 1 2686 1 2261 1 1 2635 2353 2450 2503 2338 1 2218 2565 2392 1 1 1 1 1 2461 1 1 1 1 1 1 2349 1 1 2674 1 1 2870 1 2586 2613 2837 2866 1 1 1 2453 1 1 1 1970 1 2643 2376 2703 2474 3252 3013 1 1 2700 2645 2810 2536 2939 2831 2544 1 1 2637 1 2571 2050 2754 1 1 2705 2690 589.6741 *589.8702* C14 H17 Cl3 N2 O7 S5 8743 24715 27354 28025 22161 27310 27150 10168 28971 27855 5827 7596 29277 26726 10551 27146 28318 20802 28609 28110 29748 9856 28602 30176 25521 27951 22151 26684 25471 6914 26012 9361 25666 21174 20876 8985 22328 28401 10027 9019 25333 28969 27869 20157 30521 29315 21604 28376 11272 30845 32325 30128 28452 10601 27518 22237 28072 28211 27124 9384 25254 25605 26884 27579 10884 27156 29022 10405 29606 23363 25467 15058 27503 10109 28460 28238 29142 34029 10177 22013 29025 22815 9816 22156 22682 7605 27707 27177 30866 29622 589.8702 *589.8832* 589.8832@0.81348145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1 1 1 1 589.8832 *590.1549* 590.1549@6.788537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8249 4942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.1549 *590.1567* 590.1567@6.75102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.1567 *590.2768* 590.2768@4.232113 1 1 1 1 1 1 1 1 1 1 1 1 8013 8561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.2768 *590.4565* 590.4565@14.230749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4565 *591.3504* C27 H45 N9 O6 9205 9097 9862 10198 10501 10366 9723 9823 5460 5479 8121 8912 8887 8947 9051 8977 6224 6053 7929 7795 12897 12844 8026 8485 5749 6089 8037 7599 10289 8854 21795 22008 15079 14825 4262 4063 15446 16045 13701 13819 14839 15285 13265 14761 9852 10336 16968 17043 10884 10343 21962 22899 5017 4772 10792 11337 22540 22466 10229 10446 8854 8141 3755 3333 9021 9284 8380 7315 23763 22940 8570 8777 13396 13546 8341 7911 11178 11285 7194 7504 14571 14991 12031 11668 16557 17797 6094 5620 27977 26846 591.3504 *591.6793* 591.6793@0.8455416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 1 1 1 1 1 1 1 1 1 1 2586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1805 2381 1 1 1 1 1 1 1 1881 1 591.6793 *591.6886* 591.6886@0.84522957 1 1 1 1 1 1 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 2410 1 1 1 1 1 1989 2336 1 1 1 1 1 1 1 1 1 1 1 3353 1 2438 1 1 2423 1 1 1 1963 1 1 2392 1 1 1 1 2643 1 1 1 1 1 1 1 1 591.6886 *591.7424* 591.7424@0.85094035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2828 1 1 1 1 1 1 1 1 1 1 591.7424 *591.863* 591.863@0.8428941 14642 1 1 1 1 1 1 1 1 1 9487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4763 1 16497 1 1 1 11834 1 1 1 1 1 1 1 1 1 1 1 1 12650 1 1 1 1 1 1 1 1 1 1 10669 1 1 1 1 1 1 1 11381 1 1 1 2660 1 12587 1 1 1 1 11433 1 1 1 18119 1 1 1 1 1 1 1 591.863 *591.8638* 591.8638@0.83754694 1 1 1 1 1 1 1 17055 1 1 3307 12725 1 1 18433 1 1 1 1 1 1 17073 1 1 1 1 1 1 1 9892 1 1 1 1 1 1 1 1 16552 16958 1 1 1 1 1 1 1 1 1 1 1 1 1 17675 1 1 1 1 1 1 1 1 1 1 10349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17742 1 1 1 1 591.8638 *592.4025* 592.4025@14.587644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7260 9531 9278 9391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7400 8195 1 1 1 1 6017 7186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11204 11835 1 1 1 1 592.4025 *592.4537* 592.4537@14.562753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4537 *592.4612* 592.4612@14.598264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12249 11509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4612 *592.4654* 592.4654@14.120814 1 1 1 1 11914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8648 6847 1 1 1 1 19528 3985 1 1 12849 8412 1 1 11882 1 1 1 1 1 1 1 1 1 1 1 1 1 21388 1 1 1 1 10232 22204 1 1 6987 4323 1 1 1 1 1 11978 16193 1 1 1 1 1 1 1 9563 8846 1 1 1 1 1 6927 1 14785 1 1 1 1 1 592.4654 *592.4657* 592.4657@14.749362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12663 8464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4657 *592.4661* 592.4661@14.0910015 1 1 1 1 1 8714 1 1 1 9182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6989 1 34212 29416 1 1 4608 4493 1 1 17891 17317 8556 12428 9795 10847 1 1 14055 15934 6000 1 1 7833 1 22046 7484 4938 10105 1 11926 40737 8752 8505 20195 16222 1 1 7241 6648 4784 1 1 12804 1 1 1 1 10477 1 1 5514 9503 7743 1 1 1 6460 1 18987 1 1 1 1 592.4661 *592.4666* 592.4666@14.13361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23991 24730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4666 *592.4668* 592.4668@14.321553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3704 12259 1 6821 11567 8409 1 1 5478 7248 11994 11384 1 1 1 1 9177 9526 1 1 1 1 17812 1 1 1 1 1 23386 32796 7178 5411 1 1 1 1 1 7200 1 1 1 1 1 1 1 1 1 1 1 1 4173 1 1 1 1 1 8500 9607 1 1 1 1 592.4668 *593.3647* 593.3647@11.740536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3968 1 1 1 1 593.3647 *593.4697* 593.4697@14.1493635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6608 1 1 1 1 1 1 1 1 1 1 1 1 4630 1 1 1 1 9056 1 1 1 1 1 1 1 1 8390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.4697 *593.5478* 593.5478@0.84899193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.5478 *593.6673* 593.6673@0.84643924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1492 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.6673 *593.8518* 593.8518@0.8709838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.8518 *593.8689* 593.8689@0.8366137 1 1 1 1 10312 1 1 1 1 1 1 1 1 1 1 1460 1 6461 1 1 1 1 1 1 1 1 6056 1197 1 1483 1 1 1 5202 9763 4420 6580 1 1 1 1 1 1 9815 1 1 7378 1 1291 1 1 1 1 1 1 6273 1 1 1 10995 1 1 1 1 7023 1 1 9157 1 2246 1 1 1 6771 1 1 1 1 7740 9030 1 9279 1 10204 10901 1 1 1 1 1 593.8689 *593.8729* 593.8729@0.8269841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 593.8729 *593.8933* 593.8933@0.81496096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 593.8933 *594.0305* 594.0305@5.427315 6930 6787 1 1 1 1 1 1 1 1 4724 4719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.0305 *594.2985* 594.2985@8.845653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3719 3746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.2985 *594.4789* 594.4789@14.144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4789 *594.4806* 594.4806@13.951239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6293 2875 1 1 1 6104 1 1 5513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4806 *594.4806* 594.4806@14.917524 1 1 1 1 1 1 1 1 1 1 8073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4806 *594.4811* 594.4811@14.508959 1 1 1 1 1 1 1 1 1 1 5217 1 1 1 1 1 1 1 5547 1 1 1 1 1 1 1 1 1 11002 3727 1 1 6367 1 1 1 1 1 1 1 7210 7542 1 1 1 4593 1 1 7485 5930 1 9398 1 1 1 1 4680 1 9049 8850 1 1 1 1 1 1 1 1 6575 1 1 1 1 1 1 1 7666 7010 1 1 1 1 1 1 1 1 1 1 1 1 594.4811 *594.4813* C40 H66 O S 1 1 1 1 1 1 1 1 6854 1 13010 16301 1 1 1 1 1 1 9338 1 7211 1 7485 6884 1 1 17629 1 40436 11112 8122 4501 1 1 1 1 6337 50440 11065 1 19050 22461 1 1 13835 1 1 9692 21389 1 20212 3910 2483 3043 10562 6711 1 1 15540 10419 1 16634 1 1 1 1 21315 5150 22484 23669 1 1 1 9716 1 11398 24701 28250 13481 1 6674 10520 20889 14888 14574 1 1 1 1 5975 594.4813 *594.4816* 594.4816@13.936698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 4845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4816 *594.4818* 594.4818@14.518567 1 1 1 1 6043 1 1 1 1 1 3596 1 1 1 1 1 1 1 1 4590 1 1 1 1 1 1 1 1 1 3919 1 1 1 8269 1 1 10378 13930 1 1 1 1 1 1 1 1 1 3531 1 1 10715 1 1 1 1 1 14476 17254 4225 1 6762 7702 1 1 5525 1 4574 5917 1 6496 1 1 6759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4818 *594.4823* 594.4823@14.781529 1 1 1 1 19674 19738 1 1 1 8500 1 1 1 1 1 1 1 1 1 9603 1 7892 1 1 1 1 1 11320 1 5982 1 1 10347 1 1 1 45683 1 1 9725 1 1 1 1 1 18479 11013 1 1 20734 1 16316 1 3611 1 4052 65123 64092 1 16565 22072 8168 1 1 29996 29609 1 14664 1 1 1 1 3235 1 10022 1 1 1 1 15835 1 1 1 1 1 16770 1 1 1 1 594.4823 *594.4828* 594.4828@14.689375 1 1 1 1 1 1 1 1 1 1 3705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3309 1 1 4274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4241 1 1 1 1 1 1 1 18727 1 1 1 1 1 1 1 1 1 1 4000 1 1 10095 1 1 1 3283 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4828 *595.0827* 595.0827@5.2444954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5858 5509 1 1 1 1 595.0827 *595.4849* 595.4849@14.812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.4849 *595.485* 595.485@14.739807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.485 *595.4854* 595.4854@14.795428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3231 1 1 1 1 1 1 1 1 1 1 1 1 1 595.4854 *595.633* 595.633@0.8464547 1 1 1 1 1 1 2379 3591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 1 1 1 1 1 1 1 1 2776 1 1 1 1 1 1 1 1 1 1 1 1 1 4261 2230 1 1 4211 2286 1 2255 2436 1 1 1 3909 1 1 1 1 1 1 1 1 1 1 2622 1 1 1 1 1 1 1 2401 2154 1 1 1 2365 1 3912 1 2522 1 1 1 1 595.633 *595.8625* C16 H8 N2 O13 S5 2443 2647 4718 4058 1 3641 3952 3739 4373 3588 6072 4772 3638 3553 2447 3353 3316 2397 3493 3667 3572 5078 3613 3861 3009 6616 4800 3666 3641 2685 5063 2098 3066 5257 1 3617 3274 2274 3902 1 3940 3606 1 1 3977 3371 1 3743 1 3930 2331 3535 3534 4373 3521 2437 2550 3788 2913 1 2115 5553 2605 3692 2718 3168 4228 1 3731 3677 5675 1 3328 1 1 3147 4779 1 1 1 3631 1 4113 1 1 3713 2603 1 3830 2423 595.8625 *595.8691* 595.8691@0.8149983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.8691 *596.4959* 596.4959@14.135539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 1 1 1 1 1 1 1 14747 14763 1 1 1 1 1 1 1 6869 1 1 1 9458 1 1 1 1 1 1 22509 20591 1 1 1 1 1 1 10001 1 1 1 11271 13356 1 1 1 1 1 1 12087 14161 1 1 1 1 1 1 1 1 1 1 1 596.4959 *596.4964* 596.4964@13.463924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.4964 *596.4971* 596.4971@14.206759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.4971 *596.4978* 596.4978@13.2243805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11558 10489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.4978 *597.6262* 597.6262@0.8475276 1 1 1 1 1 1 2274 1 1 1 1 1 1 2412 1960 1843 1 1 2028 2263 1 1 1896 1 1 2094 1 1 1 1 1950 1 1 1812 1495 1 1 1891 1 2240 2051 1 1 1 2268 2584 1 2536 1 1808 1 1 1776 1674 1 1801 2207 2366 1 1680 1 1 2020 1 1 2053 2306 2004 2083 2224 1741 1 2210 2555 2118 1 1944 1 1869 2294 1562 2580 2096 2394 1288 1 1 1 1 1 597.6262 *597.6414* 597.6414@0.8464078 1 1 1 1 1 1 1 1 1 5887 1 1 2073 1 1 1 7352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4586 1 597.6414 *597.6562* 597.6562@0.8509584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 597.6562 *597.6673* 597.6673@0.85192704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.6673 *597.7112* 597.7112@0.84250295 1 1 1 1 3277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.7112 *598.1608* 598.1608@6.1487546 2553 2506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.1608 *598.2078* 598.2078@8.285885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33190 31825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.2078 *599.68* 599.68@0.8420068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.68 *599.7005* 599.7005@0.8449969 1 2249 3073 2821 1 2869 3805 2360 2694 1 1 1 5344 2968 1 1 4328 3182 2821 2918 2936 1 3051 2848 1 5542 1 3133 2784 1 1 1 3017 2428 1 1 1 1 1 4416 1 2830 1 2912 2771 3167 2885 2804 3430 3098 1 4151 3088 1 1 3456 1 2553 5081 1 1 1 1 1 1 3019 5835 3273 1 8008 4057 1 1 4555 1 1 4097 3626 1 1 1 4990 1 1 1 1 2767 1 2966 2991 599.7005 *599.7079* 599.7079@0.8460011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.7079 *599.8806* 599.8806@0.8219986 1 1 1 1 1 1 4022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4167 1 1 3963 1 1 1 1 1 1 1 1 1 1 4201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.8806 *599.8857* C14 H15 Cl3 N4 O8 S4 1 4443 7755 3338 4623 4351 1 7564 4375 4039 4806 7449 2952 4485 4819 4346 3341 8262 4196 4164 4594 4570 8028 9545 4214 4731 4738 8100 4715 8220 4408 4295 10941 4403 8056 2639 8675 4465 3631 9410 4149 4347 4114 4335 4615 8864 4443 8137 8555 9163 4558 8037 4136 1 4244 7878 1 3170 9084 3885 6712 4260 4493 7343 7489 3752 7214 1 4267 4298 4054 3908 4421 3865 8232 6919 4378 4532 3627 8073 4301 4237 4445 7927 2947 8013 3127 9001 9205 4281 599.8857 *600.5273* 600.5273@14.134634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5947 1 1 1 1 5438 5056 1 1 1 1 1 1 1 1 1 1 5731 5598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5744 1 1 1 1 1 1 1 1 11584 12372 600.5273 *601.7022* 601.7022@0.8454023 1 1 2250 2062 1 1 1 2068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 1 1 1 1 1 1 2699 2762 2240 2094 2232 2219 2442 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 2413 1 1 1 1 1 2366 1 1 1 1 2013 1 1 1926 1 601.7022 *601.7037* 601.7037@0.8455809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2170 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 2773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 601.7037 *601.7197* 601.7197@0.8470023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.7197 *601.8359* 601.8359@0.8469111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.8359 *601.8767* C17 H8 Cl2 O18 S 1 2853 1 3988 3645 3659 3471 1 2862 4214 1 1 3139 3747 3474 1 4458 1 3290 3747 1 1 1 1 1 6801 4040 1 3375 1 1 3399 1 3146 1 3734 1 3706 3753 1 1 3836 4534 1 3493 1 3917 1 1 1 3205 1 6788 1 2584 1 2983 3626 1 2871 1 2607 1 1 1 3258 1 3338 3594 3795 1 3645 1 1 1 1 1 4021 3389 1 3672 3366 3286 1 3435 1 2512 1 1 3521 601.8767 *601.8844* 601.8844@0.8247825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3134 3582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3982 1 1 1 3546 1 1 1 1 1 1 1 1 1 1 1 1 1 601.8844 *602.2096* 602.2096@5.3140373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 1 1 1 1 1 1 1 1 602.2096 *602.2152* 602.2152@6.933895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3770 3790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 602.2152 *603.6736* 603.6736@0.84500766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.6736 *603.7968* 603.7968@0.8669273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.7968 *603.8105* 603.8105@0.83452994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.8105 *603.8736* 603.8736@0.8319418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 603.8736 *603.8892* 603.8892@0.81928885 1 1 1 1 1 1 1 2269 1 1 1401 1 2386 1 1 1 1 1 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2637 1 1 1 1 1 1 2185 1 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.8892 *603.8986* C25 H4 N2 O11 S3 1 2945 2788 2583 1882 2277 2339 1 2762 1935 1 1 1 1 2029 2202 1 2256 1 1 1931 3175 2985 1 2536 1 2597 2253 1942 1680 1 2135 1 2887 1856 2141 2689 2484 2150 2067 2568 2404 2836 2479 2069 2413 2798 2071 3002 3114 2536 2524 1 2377 2601 2675 1 1 1964 1282 1 2031 1523 1610 1 1618 1 2838 2993 2299 2543 2911 2495 2159 2341 2679 3261 2822 2526 2112 1860 1 1 1 2035 1 1 2699 2945 1 603.8986 *603.9069* 603.9069@0.81794834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1785 1 1 1 1 1 1 603.9069 *604.2547* 604.2547@4.227113 1 1 1 1 1 1 1 1 1 1 1 1 15160 15929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.2547 *604.3721* 604.3721@13.080074 1 1 8679 9218 1 1 5913 5780 10090 9146 5047 4881 1 3921 11289 11828 1 1 4603 4780 1 1 1 1 1 1 5130 5363 11129 11299 1 1 1 1 1 1 14816 15027 1 1 12593 13168 1 1 1 1 5442 5382 1 1 22287 21700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7988 8077 1 1 1 1 1 1 1 1 604.3721 *605.6628* 605.6628@0.8463435 2291 2227 3017 2766 2716 2473 2980 3309 4355 4368 2234 1 2829 1 2958 2739 3093 3296 2751 2735 2759 2814 2754 2717 3031 2960 2615 2552 2439 2806 2476 2610 5756 2974 2407 2496 2749 2928 2571 2673 3050 2845 5471 2561 1 3081 2752 4974 4042 2793 2623 2786 3057 2611 3008 3162 1 4534 2447 2989 2618 2681 2342 2370 2713 2750 3114 2965 3437 3230 2628 2455 3031 3039 3155 1 3196 3929 3172 2782 3471 3190 2861 1 3006 1 2798 2677 1 2919 605.6628 *605.6676* 605.6676@0.84896606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 1 605.6676 *605.8437* C12 H13 Cl3 N4 O8 S5 1 22956 1 1 1 24515 1 1 1 1 27352 25561 18492 1 7226 1 23839 6269 1 1 18853 1 1 1 1 6304 1 1 7145 19096 1 1 24512 1 1 1 1 1 18460 1 26233 1 23219 23776 1 24733 22592 23248 19313 25366 1 25284 20339 22300 22562 24134 17092 1 1 24384 7349 22406 28193 1 1 1 7775 6840 1 1 1 1 7098 1 1 7070 1 1 1 9415 1 19303 24072 1 1 1 27315 1 6619 1 605.8437 *605.844* C13 H9 Cl3 N8 O4 S5 24603 1 16848 26531 23809 1 15239 7003 24598 25444 1 1 1 22244 1 26786 1 1 24056 6692 1 18939 1 1 24323 1 24902 24675 1 4162 19883 7409 1 19356 26990 25809 23288 23831 1 17549 1 7314 1 1 18147 1 1 1 1 1 22037 1 1 1 1 1 1 25952 8144 1 1 1 1 29000 8729 17824 1 1 17927 21432 16906 7727 1 24155 8254 1 9009 18848 18802 1 21342 1 1 20252 7529 25274 1 25060 1 18752 605.844 *605.8733* 605.8733@0.8100551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.8733 *606.1596* C20 H35 Cl N4 O13 S 6677 1 3740 2823 2762 3579 1442 1362 1 2241 5558 5101 2815 2588 2546 2535 2467 2699 1915 1804 3749 2905 3168 3056 3174 72402 3387 1 4372 4377 2978 2109 3894 3815 4156 4200 3914 3539 3019 4239 3027 3209 3191 2924 2272 1 2532 2530 1 2946 2217 2827 1 2148 2595 2052 1 1535 3234 3208 5366 5261 3835 4249 2398 2275 1 1808 1 1 2165 2454 3431 2343 2244 1 2772 2667 2269 2157 2262 2346 3560 4556 1727 2002 3277 3872 3329 3719 606.1596 *606.1596* 606.1596@1.0240648 1 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.1596 *606.1611* C22 H26 N10 O9 S 128572 128605 97562 95587 114174 110961 69409 70363 100374 101800 122952 124708 98434 100396 107126 105764 90849 91684 88681 82151 110470 110332 107101 106845 92642 20712 111666 110034 110675 115856 105846 107597 113921 110829 130582 128820 113708 118278 135895 130766 122470 125563 106399 111620 114901 113913 121298 121641 114982 112972 110282 112272 99872 102517 103664 102338 109253 112476 127340 129772 150753 155594 163411 160484 122012 117344 104918 107393 109649 110144 119192 120906 136999 141131 129745 131906 128614 132712 127324 125997 125544 120712 143489 146291 129353 132470 150636 150267 146086 142998 606.1611 *606.2416* C34 H34 N6 O3 S 15305 15061 29490 30957 12793 12205 4478 4601 14633 15222 7157 20135 12799 13510 10436 10070 9527 9905 25846 25286 16986 16341 27175 23443 6462 7388 23080 22539 28334 26759 11172 11139 29842 25389 6166 6561 14661 21036 16807 12446 12737 11743 8203 8670 21244 21302 13403 11145 16056 16462 10395 13619 11448 8208 10718 11765 18897 20128 29673 26660 11298 14797 8824 10220 16103 16092 13468 11197 15554 19330 32385 29514 19569 21446 21595 22466 20747 20693 25262 25005 25265 22090 26430 28953 7172 6555 19729 15056 5823 10754 606.2416 *607.1629* 607.1629@0.9684637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3875 1 1 1 1 1 1 1 607.1629 *607.6592* 607.6592@0.8468728 1456 1 1 3186 1 2228 1949 2972 2447 2868 1 1 3328 1 1 1 1 1 2041 1 2272 1 2348 1 3716 2217 1 1 1 2038 2003 1 1 2310 1 3006 2305 1 1 1 3601 1 2835 1999 2286 1 2264 1 2078 1 2338 2353 1 1999 2397 1 2378 1 1 1 1934 1 1 1 1 1 1 1 2892 2879 1 1 2608 1790 2438 2135 2313 1 2637 1 2537 2832 1 1 1 1 1 2189 2291 2511 607.6592 *607.6677* 607.6677@0.84692025 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 1 1 2068 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 2530 1 1 1 2581 1 1 2316 1 1 2367 1 2517 1 2208 1 1 2392 1 2465 2554 1 1 1 1 1 1 1 1 1 1 1 2382 1 1 1 1 1 2024 2006 2632 2543 1 1 1 607.6677 *607.7153* 607.7153@0.8520023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.7153 *607.7363* 607.7363@0.84696686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 607.7363 *607.8347* 607.8347@0.8423262 1 1 1 1 1 1 1 15261 1 1 1 1 1 1 18002 1 1 14951 1 15279 1 1 17060 16310 1 17283 1 1 16719 1 1 15961 1 1 1 1 1 1 1 1 1 15789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9833 1 10697 1 1 1 9734 1 15492 9726 1 1 1 13929 16251 1 13634 13114 10116 1 1 9423 1 1 1 1 14322 1 1 1 16273 1 607.8347 *607.9665* 607.9665@0.80602324 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.9665 *608.0035* C20 H16 N8 O7 S4 5446 5054 1 1 6507 5919 1740 7102 6490 6504 6564 7101 4837 4857 5330 5143 5695 5305 7338 7765 5776 5189 4369 4930 7251 7038 5461 5120 5524 4901 4822 4886 7172 6718 5651 5783 4144 4711 3518 3947 1 1 4070 4069 8060 7145 1 1 4591 4467 7911 8261 1 1 4204 4706 7094 7486 1 1 1 1 1 1 5069 4985 7012 6656 3441 3027 5646 5453 2727 3354 2100 1 6498 6708 6745 6674 3549 3678 1 1 7999 7300 8778 8887 1 1 608.0035 *608.0036* 608.0036@4.805743 1 1 1 1 1 1 5611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.0036 *609.3216* C24 H51 N O16 9230 9352 7543 7893 10511 9920 8288 8174 7005 6877 8266 7605 8894 8830 7258 7010 5167 4752 10510 10903 10977 11403 8250 7699 5679 5401 8140 8115 12297 11363 15756 14785 13795 14000 5298 5557 11835 11889 17020 15463 10133 9503 12430 13065 10836 10923 12284 13037 7874 7848 14305 14643 5954 6079 9967 9990 14213 14498 16229 16457 9122 8470 4850 4618 14141 14142 8979 8814 13115 13639 8439 8357 11930 11732 7286 7377 10335 10493 13256 12830 8839 9830 9633 10237 16643 15633 5148 5130 17405 17530 609.3216 *609.7054* 609.7054@0.8498221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3153 2103 1 1 1 1 1 1 1 4378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 1 1 1 2000 609.7054 *609.7137* 609.7137@0.8464956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.7137 *609.7316* 609.7316@0.8474332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 1 1 4990 1 1 1 1 1 1 1 1 1 609.7316 *609.8349* 609.8349@0.8483372 1 1 1 1 1 1 1 1 1 1 1 1 4707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 7296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.8349 *609.84* 609.84@0.8574196 1 1 4802 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 3242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4895 5686 1 1 1 1 1 1424 1 1 1 1 1 1 1485 1 1 1 1968 1 2500 1 3185 1 1 1 2347 1 1 1 1 1 1 1 1608 1 1 1 4658 1 1 1 1 1712 1 4774 1 1 1 1 1 6888 609.84 *609.8566* 609.8566@0.83745015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5628 3417 1 1 1 1 1 1 1 1 1 1 1 609.8566 *609.9044* C19 H8 Cl2 O19 1 1 3299 3627 3860 4501 5663 1 2996 1 1 3080 1 3079 3850 1 3293 4341 6386 1 1 1 3547 1 1 1 1 6777 1 3148 2645 2685 3463 3354 2785 3211 5265 1 1 1 3091 1 1 1 2992 1 1 3997 3130 3246 1 1 1 6956 1 1 1 2353 5057 1 3158 1 3362 2910 3529 1 3410 1 1 5312 1 1 4006 1 1 1 3238 1 1 1 2935 1 4418 3312 1 1 1 1 1 1 609.9044 *609.9126* 609.9126@0.81842184 1 3721 1 1 1 1 1 1 1 1 1 1 3502 1 1 5671 1 1 1 1 3477 5816 1 3486 2667 5884 6916 1 3176 1 1 1 1 1 1 1 1 3979 1 1 1 2867 5450 1 1 1 1 1 1 1 1 3182 1 1 3018 6861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.9126 *610.3446* C28 H42 N12 O4 10699 10913 13709 13972 14646 14441 16569 17591 17486 16231 17037 17346 18423 18370 20122 19849 19147 18863 18544 18025 16537 16847 19642 19762 20331 20363 19491 18501 21468 20592 20117 21028 21422 20644 21566 22066 19708 19814 16622 16932 18910 19544 20853 22034 22068 22099 10074 9114 16849 18862 16558 17153 24538 25224 23874 24709 22472 23229 5594 4993 22906 22585 21695 18190 16211 13132 18885 19389 18033 17398 23273 23187 22858 22875 23565 24947 22393 23596 25399 26044 26132 25244 25413 26428 12857 11771 21685 22603 9074 8047 610.3446 *610.3669* 610.3669@9.528669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7625 7357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.3669 *611.6897* 611.6897@0.8499268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4793 1 1 1 1 1 1 1 1 611.6897 *611.7028* 611.7028@0.84399366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.7028 *611.7216* 611.7216@0.84846663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 611.7216 *611.734* 611.734@0.8520023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.734 *611.8151* 611.8151@0.82799804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.8151 *611.8554* 611.8554@0.8304211 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5604 1 1 1 1 1 1 1 1 1 1 2561 1 1 1 3555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.8554 *611.8824* 611.8824@0.8229519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.8824 *611.8994* 611.8994@0.8206674 1 2298 1 1 1 1 1 1 1 2850 1 1 1 1 1 1 2967 1 1 1 1 1 1 1 2257 1 1 1 1 1 3109 2237 1 3134 1 1 1 3287 1 1 1 2936 1 1 1 1 1 1 1 3085 1 3444 3031 1 1 1 1950 2591 1 2937 3061 2374 2014 1 3215 1 3188 2937 1 1 1 2604 1 1 1 1 1 1 1 3299 1 1 1 1 3173 2319 1631 1 1 1 611.8994 *611.9003* 611.9003@0.81922805 3048 1 1 3043 1 1 1 1 1 1 1815 1 2059 3235 1 1 1 1 1 1 3117 1 1840 2667 1 1 1 1 2296 2381 1 1 2503 1 3111 1 1 1 2794 1 2806 1 1 1 2431 2579 2803 1734 1880 1 1 1 1 1 2108 1 1 1 1 1 1 1 1 1 1 2993 1 1 1 1 1 1 2751 1 1874 2225 2797 3009 1931 1 2452 1 2064 2555 1 1 1 2221 3147 3414 611.9003 *612.0528* 612.0528@5.4312744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4088 4284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1 1 612.0528 *612.5106* C36 H72 N2 O S2 1 1 1 1 7591 7385 2697 3275 1 1 1 1 3557 3826 1 1 1 1 5017 4316 9449 10673 1 3323 1 1 1 1 10448 7660 13751 14217 10131 9224 1 1 20177 20113 29315 29220 3386 3249 6148 6340 13611 13399 12418 12474 1 1 27133 28144 2630 1 1 3468 16181 19372 15128 15248 1 1 1 1 8266 8216 5419 5488 4638 4570 5812 4805 6077 6219 7410 6636 8320 8401 15000 16167 5372 5246 3890 3983 20656 21001 1 1 45345 43808 612.5106 *613.3341* C29 H43 N9 O6 6051 6191 5733 5352 5701 5557 4622 4608 3435 3559 8102 8091 3977 3772 1 1 1 1 13034 12620 11458 11999 7496 6907 4145 4251 4578 4259 14069 12883 15787 15640 11564 11308 1 1 8863 9062 13978 12664 4575 4374 9271 10082 15612 15249 19325 19639 7882 8246 18580 17807 1 1 7614 8187 22659 22657 14791 14573 7007 6894 3457 3518 21286 21018 8852 8943 11261 11750 14238 14389 9736 9948 7253 6997 9384 8874 18488 18857 8104 8337 9597 9664 7466 7848 1 1 16892 16397 613.3341 *613.6768* 613.6768@0.85194045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8437 1 1 1 2333 1 1 1 1 1 1 1 1 1 1 1 1 1 5979 1 1 1 1 1 1 1 1 1 1 1 613.6768 *613.6939* 613.6939@0.84671265 1 1 1920 1 1 1 1 11719 1 1 1 1 2671 1 1 5789 1 1 1 1 1 1 6498 2835 1 1 9735 9179 1 2342 1 1 1 1 1 1 1 1 1 1 1 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 9114 9441 1 1 1 1 1 1 1 1 1 1 3498 1 2892 1 1 1 1 7064 2630 1 1 1 1 11747 1 6856 1 3486 1 6799 1 2242 8129 613.6939 *613.6988* 613.6988@0.84682053 1 1 1 1 1 1 1 1 1 1 1 4986 1 1 1 1 1 1 1 6627 1 1 1 1 1 1 1 1 2487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8139 1 1 3509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.6988 *613.9223* 613.9223@0.81251675 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.9223 *613.9345* C26 H2 N2 O17 1 2865 2930 1 2471 2432 2076 1 1 2787 2469 1 1 2268 1 2970 2664 2599 2578 2433 3000 2204 1 2549 2859 2894 2269 1 1 1 2149 2203 3321 2856 2777 2195 1 2356 2629 2523 2354 1 2839 1 1 2352 2904 2491 1 1 2352 1 1941 2211 1 1 1 1 2552 1 1 1 2285 2652 2162 1 1 3133 1988 1 2669 2222 1 2223 2725 2936 3562 3470 2453 1 2930 2440 3458 2739 3138 2278 1 3233 2276 2970 613.9345 *614.0495* 614.0495@5.3126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2932 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16562 16549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.0495 *614.3617* 614.3617@7.229524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4449 4223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4589 5165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.3617 *614.5266* C35 H71 Cl N4 O2 1 1 1 1 10001 10403 4173 4982 1 1 1 1 4625 4512 1 1 1 1 6601 6638 12287 11990 1 1 1 1 1 1 13402 12467 24960 25455 14442 13512 1 1 19092 17494 32879 35654 1 1 11548 12072 14481 14897 14068 14156 1 1 32312 31409 1 1 1 1 16242 19544 16267 16530 1 1 1 1 10148 10572 4332 4299 5728 5914 5826 5891 6642 6877 4512 4640 8451 8580 18880 19681 4873 5094 4058 4079 14198 14456 1 1 46812 46882 614.5266 *614.5436* 614.5436@14.648743 1 3090 1 1 4079 3935 1 4039 1 1 1 1 1 1 1 1 1 1 1 1 4407 4871 1 1 1 1 1 1 5877 6392 1 1 1 4460 1 1 1 1 1 1 1 1 3566 4378 1 7252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5220 4366 1 1 5945 4085 4185 1 5541 8168 1 1 3453 4152 4701 1 1 1 1 1 1 614.5436 *615.3504* 615.3504@10.878729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708 3745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3447 1 1 1 4491 3896 1 1 1 1 4332 4427 3403 3496 1 1 1 1 1 1 1 1 3806 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6148 6137 615.3504 *615.3609* 615.3609@11.204256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4186 4428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4351 4211 615.3609 *615.6884* 615.6884@0.84649056 2788 2639 3653 3539 3029 3314 1 1 4223 1 2923 1 3901 3801 1 1 3739 1 9121 1 3359 3127 1 3407 3761 3631 1 1 3581 4227 4362 3665 5894 3462 4824 5677 3713 1 1 2984 1 5565 5122 4596 1 3823 3336 3298 1 1 8572 1 3880 3530 6253 1 1 3394 6813 1 1 7339 3019 1 4893 3492 4182 4091 3829 7091 5357 5897 1 6664 1 7234 11302 9380 1 7165 1 7263 1 1 1 1 1 1 3593 1 615.6884 *615.8759* C22 H6 Cl2 N6 O4 S4 9435 7699 1 3293 3188 3329 3489 3923 1 3209 3342 3663 3130 2918 3426 3879 3645 7107 3000 2968 4125 3162 1 3226 3689 3599 3513 1 3200 3009 3800 1 7488 1 3529 3554 3603 1 3252 3333 3306 3126 3171 8098 3485 1 3216 1 6778 7109 4012 3453 1 3607 3472 3020 1 3238 3572 3250 1 3457 3827 3450 1 3249 3080 3324 3168 2747 3621 3680 2875 1 1 1 1 1 3845 3314 3221 1 3545 8681 4152 3425 3517 3907 3196 1 615.8759 *615.8818* 615.8818@0.8250829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3675 1 1 1 1 1 3393 1 1 1 1 1 1 1 1 1 1 1 3109 1 3788 1 1 1 1 3485 1 1 1 3805 1 1 1 1 1 1 1 3167 1 1 1 1 1 1 1 1 1 3478 1 1 2967 1 1 1 3262 1 1 1 1 1 1 1 1 615.8818 *616.2081* 616.2081@8.5768795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28840 28880 1 1 1 1 1 1 1 1 616.2081 *617.6795* 617.6795@0.8465057 1 1 1 1 1 1 1 1 1 2059 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.6795 *617.6877* 617.6877@0.8467225 1636 3557 2258 6907 3642 1 1 1 2087 1 1 1 2020 2432 1 1 2040 1 1 2067 2532 2624 1 1 2446 4429 5276 1 2760 2704 2841 2668 1 1 1 1 1 1 1 1962 2316 5192 2918 4480 3286 2697 2429 1 1 3899 1 1 1 3037 1 1 1 1 1 3014 1 1 1 1 2841 2959 1 1 1 1 1 1973 1 1 1 1 1 1 3110 1 1 1 2334 1 2620 2638 2731 2288 2674 2386 617.6877 *617.7044* 617.7044@0.8478681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 1 1 1 2328 1 1 1 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3725 2386 3425 1 1 1 2917 1 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.7044 *617.8438* 617.8438@0.79314494 1 1 1 1 1 1 1 1 1 1 1089 1102 1 1 1160 1185 1 1187 3338 1 1 1294 1 1346 2812 1 1 1 1 1 1 2057 1 1358 1457 1 1 1 1307 1 1 2119 1252 1 1 1179 1296 1689 1023 1991 1516 1443 4250 1 2518 1379 1727 1 1 1358 1 1 1 1330 1 1483 1 1 1 1484 1304 1 1 1 1898 1681 1227 1 1343 1 1 1 1 1 1 1214 1 1260 1399 1270 617.8438 *617.8457* 617.8457@0.81562847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3130 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.8457 *617.8559* 617.8559@0.8264029 1 1 3480 1 4147 1 1 1 1 1 1 1 1292 1 1 5262 1 1 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4326 1 1 1 1 2848 2984 3431 3484 1 2892 3872 1 1 1 1 1 1 1 1 1 3109 1 2882 3118 3526 1 1 3589 1 3543 1 1 1 4271 1 1 1 1 1 1 1 1 3532 1 1 1 1 1 1 4375 3851 1 3654 3617 1 617.8559 *617.8581* 617.8581@0.8280167 1 1 1 5696 1 3548 6300 1 4983 1 2913 4038 3288 1 3973 1 1 1 1 1 9301 4103 1 3454 1 1 3626 5340 1 2543 1 3385 1 2517 1 4928 1 4587 1 1 1 1 1 1 1 1 3160 1 1 1 3079 2775 1 1 1 1 1 1 1 1 1 3935 1 4032 1 2733 2815 1 1 4112 1 1 2796 3442 1 1 3607 1 5432 5472 3256 1 4349 1 1 1 3452 1 1 3553 617.8581 *618.0691* 618.0691@5.4283676 15315 14882 1 1 1 1 1 1 1 1 12159 12068 1 1 1 1 1 1 1 1 3529 3400 1 1 1 1 1 1 1 1 1 1 1 1 23595 23932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13065 12434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23560 24909 1 1 618.0691 *618.0702* 618.0702@5.4673643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3380 3866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.0702 *619.6875* 619.6875@0.84500766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.6875 *619.7059* 619.7059@0.8469299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.7059 *619.7217* 619.7217@0.84297895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.7217 *619.7384* 619.7384@0.8409867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.7384 *619.76* 619.76@0.8334695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2556 619.76 *619.8506* 619.8506@0.8325182 2032 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.8506 *619.8666* 619.8666@0.83396566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.8666 *619.8793* 619.8793@0.83396745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.8793 *619.8951* 619.8951@0.82503533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.8951 *619.9409* 619.9409@0.8159878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6392 1 3706 1 1 1 1 1 1 1 1 1 1 3890 1 1 1 2969 1 1 1 1 1 1 1 1 3569 1 1 1 1 1 1 1 1 1 1 1 1 1 4088 1 3337 1 1 1 1 1 1 1 1 1 1 1 1 4442 1 1 1 1 1 1 1 6717 4068 1 1 1 6156 1 1 3432 1 1 1 1 619.9409 *619.9435* C20 H13 Cl N2 O15 S2 7906 1 1 5067 3815 6071 2632 4866 1 5301 3828 1 3973 5434 1 3739 1 4693 1 3376 7111 3942 3424 5014 5387 5527 4547 1 7441 5120 4732 1 1 5938 5385 6063 4658 6289 3666 6847 1 3528 1 4262 4596 5083 3123 1 1 4964 5537 5956 5294 2858 1 3457 1 3365 3180 1 5203 5362 1 6218 5052 1 4523 3064 1 1 3469 4287 4874 3102 1 3630 3871 1 1 1 5003 3442 1 5467 3033 1 3137 4974 3130 3673 619.9435 *620.1905* 620.1905@8.285885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22635 22747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.1905 *620.2919* 620.2919@9.907709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3275 2638 1 1 1 1 1 3630 3843 4019 3772 1 1 5537 5160 6651 6318 1 1 1 1 1 1 3564 1 1 1 6594 6429 1 1 1 1 7168 7654 1 1 1 1 1 1 9779 8959 1 1 3984 4361 1 1 3757 3548 1 3067 1 1 1 1 5033 5122 1 1 1 1 1 1 6463 6403 620.2919 *621.638* 621.638@0.84997225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 1 1 1 1 1 1 1 1 1 621.638 *621.6469* 621.6469@0.84655446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1702 1 1 1 1 2005 1 1 1 1 1 1623 1 1 1 1 1 2429 1202 2094 1 1 1 1799 1 1 1 1 1952 1 2003 1 1 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1838 1363 1 621.6469 *621.7916* 621.7916@0.84398377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.7916 *621.8021* C17 H5 Cl3 N6 O4 S5 1 1 2462 3420 4068 4016 1 3169 3744 9213 1 1 3419 4099 3402 1 1 3756 2923 6956 4256 3872 3390 3897 9949 2228 3642 8462 1 3291 3862 4052 3603 13776 4653 1830 5841 3628 3515 1 1 1 5537 3265 5751 3281 1 3202 1 3619 3468 3733 3579 3043 2100 1 2550 3589 8411 3647 5122 8772 1 10684 1 3478 3531 1 1 1 3422 1 1 3777 1 1 6439 2232 3808 3236 1 3330 4051 6200 6902 2409 8974 6664 7877 3645 621.8021 *621.813* 621.813@0.8423622 13209 4005 1 1 1 1 1 1 1 1 11082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.813 *621.9108* 621.9108@0.8149947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.9108 *621.9203* 621.9203@0.816129 1 1 1 1 1 1 1 1 1 1 1612 1 1 1 1 1586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1291 1 1481 1 1 1 1 1 1 1 1 1733 1 1 1 1 621.9203 *621.9338* 621.9338@0.8155579 1 1808 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 1433 1 1 1 1 1464 1 1 1 1394 1205 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1533 1446 1 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1603 621.9338 *621.9488* 621.9488@0.8157991 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 621.9488 *622.1226* 622.1226@6.148761 1353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.1226 *622.1335* 622.1335@0.9226994 1 20471 1 1 16121 1 1 1 1 1 21926 22120 12816 12233 1 13954 11220 11205 11043 10452 1 14137 1 1 7609 1 1 1 1 4027 1 1 1 14295 18352 1 12156 1 19469 1 1 1 13980 1 1 14114 16112 1 12967 12642 1 1 1 1 12858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17166 1 1 17636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.1335 *622.1339* C20 H34 N2 O16 S2 19640 1 11483 11967 1 15459 7966 8177 13888 13616 1 1 1 1 14011 1 1 1 1 1 13766 1 13155 14215 4557 13771 14564 14395 15794 11972 14859 14896 16077 1 1 18676 3203 15004 1 18551 16752 16093 1 14092 14922 1 1 16445 1 1 12681 13281 12841 13489 1 13794 14339 15064 16705 19005 23353 24675 24288 25026 15578 16117 13272 13893 12813 12138 15964 16541 1 18086 17206 1 15457 17406 17427 17769 16111 15349 20690 20418 16273 17605 20249 21408 19059 18228 622.1339 *622.3318* 622.3318@9.124221 1 1 1 1 3311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16743 16367 1 1 1 1 1 1 4192 4395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 3352 8387 8389 1 1 25582 25822 4683 3971 1 1 1 1 4888 5149 1 1 1 1 1 1 1 3514 1 1 622.3318 *622.3545* 622.3545@13.463947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.3545 *623.7463* 623.7463@0.84911007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2418 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2778 1 2980 2314 1 1 1 1 2484 1 1 1 1 1 1 6570 1 1 1 1 1 1 1 623.7463 *623.7596* 623.7596@0.8479835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 623.7596 *623.7675* 623.7675@0.8467715 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3323 2986 3656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3544 1 1 1 1 1 1 1 3853 1 1 1 1 1 1 1 1 1 1 1 1 1 2569 1 1 1 1 1 1 1 2485 1 1 1 1 1 1 1 1 1 1902 623.7675 *623.7853* 623.7853@0.8418232 1 1 4553 2588 8286 5562 2495 1 4012 1 1 1 4384 1 4985 1 1 1 1 1 1 1 1 6324 1 1 1 1 1 1 5673 4451 1687 1 1 4270 1 1 1 1 1 4927 1 1 1431 1 1 1 1 1 5043 1 1 2789 2004 1 1 1 1 1 1 1 1 1 1 2631 1 1 2561 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 2283 1 5070 1 1 623.7853 *623.8028* 623.8028@0.8474404 1 2421 1 1 1 1 1 1 1 1 1 8255 1 1 1 1 1 1 1 1 1 1 3864 1 1 1 3927 1 1 1 1 1 1 1 1 1 1 5558 1 6123 1 1 1 1 1 1 2661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 4804 1 1971 2585 1 1 1 1 1 1 2171 623.8028 *623.8067* 623.8067@0.8583152 1 3275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.8067 *623.9629* C21 H8 N2 O21 4417 4034 3201 3506 2953 3340 1867 1890 1 2394 1 1 2982 1 1 3141 2385 1 1 2470 1 3616 3663 1 3626 3014 1 3849 1 4437 2493 1 3718 1 1 1 1 3390 1 3282 3610 2935 1 3769 1 1 1 1 3487 1 3277 1 1 1 1 2915 1 2087 1 1 1 1 1 3806 2737 3351 2506 3208 1 2263 1 3366 3573 3408 1 1 3879 1 1 1 3060 3455 4647 1 1 1 1 3472 1 3535 623.9629 *625.3422* 625.3422@7.348175 1 1 1 1 23082 23119 1 1 7591 7909 1 1 1 1 7808 7895 1 1 1 1 1 4555 25724 24541 18875 21754 9644 9329 1 2562 1 1 8562 8741 1 1 12502 11701 1 1 1 1 1 1 1 1 1 1 1 1 13240 13042 1 1 1 1 1 1 1 1 1 1 1 1 9640 9822 1 1 1 1 1 1 1 1 1 1 11366 12792 1 1 1 1 1 1 1 5268 8687 8302 1 1 625.3422 *625.7012* 625.7012@0.8489871 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.7012 *625.704* C14 H Cl3 O12 S5 2251 1 1 2709 5198 1 1 3237 1 1 3189 1 1 1 1 6068 6278 5820 5449 6030 2695 4990 2497 4066 1 3532 5153 3368 2636 6788 2796 3490 3055 3173 5043 2690 5702 3112 4651 4949 1 2185 3072 3095 1 5357 6052 7860 1 6119 1 5359 2282 6113 6599 2483 2654 2328 1 1 3391 1 1 1 2861 1 1 1 6333 10265 5787 1 1 6939 1 2971 2578 8876 2909 5535 1 8248 1 2140 2360 2325 2953 3942 4801 6307 625.704 *625.72* 625.72@0.8504375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6412 7141 1 1 1 1 6823 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1 1 1 625.72 *625.7791* 625.7791@0.8409918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.7791 *625.7937* 625.7937@0.84318787 1 1 2629 1 1 1 1 1 1774 2888 4206 1 1 1 1 1 1 1 1 1 2139 4627 4992 1 1 1 1 1 1 2304 4657 3218 1 1 1 2826 1 1 1 1 1 2927 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 3480 1 1 1 1 3537 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.7937 *625.8088* 625.8088@0.8417525 1 1 1 1 1 1 1 1 1 1 1 1 1 2901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8425 1 1 1 1 1 2048 1 1 1 1 1 1 3560 1 1934 1 1 1 1 1 1 1 4299 1 1 2737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3502 1 1 1 1 1 1 1 3888 1 1 1 625.8088 *625.8203* 625.8203@0.8280065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.8203 *625.881* 625.881@0.81854784 1 1 1 1 1 1 1 1 1 1 1 1 1 3156 1 1 1 4493 4767 1 1 1 1 1 1 1 1 1 1 1 3173 3836 1 1 1 5722 1 1 1 1 1 1 1 4856 1 1 1 1 1 1 1 1 1 1 1 5355 1 2221 2896 1 1 1 1 1 1 1 1 1 4959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.881 *625.8891* C25 H4 Cl2 N2 O12 S 1558 4842 4404 1 2753 4106 3396 1 1 3018 5570 1 2125 1 4473 3821 1 1 1 1 3863 4559 3797 3580 5508 6065 1 6534 2930 1687 1 1 4076 3227 1 1 1 3885 1 3238 5087 5230 1 1 3443 1 5275 1 2873 2222 3481 1 1 3415 3247 1 2165 1 1 1 2179 3116 4580 4007 3180 3497 3137 3103 1 2374 7156 2208 3174 3664 3309 1 4096 1 1 1 3255 2487 1 1 1 2797 1 1 1 3271 625.8891 *626.2051* 626.2051@8.283888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83956 80176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.2051 *626.3614* 626.3614@8.191503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8491 7707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.3614 *626.3618* 626.3618@8.736801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5039 5414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.3618 *627.0684* 627.0684@5.451878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6115 6159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.0684 *627.7005* 627.7005@0.84793764 1 1 1 1 1 1 4712 1 2439 1 1 1 2392 2488 1 1 1 1 1 1 1 1 2916 1 2470 1 1 1 3477 1 1 3623 5399 1 1 1413 1 1826 1 1 1 3136 1 1 1 1 1 1 2293 1 1 1 1 1 1 1 1 2258 1 1 1 1 1 1 2583 2501 1 1 1 1 1 1 1 1 1 4716 2132 1 2827 1 5322 1 5114 1 1 1 1 1 1 1 627.7005 *627.7192* 627.7192@0.8479955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 1 1 1 1 1 627.7192 *627.7255* 627.7255@0.8480023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.7255 *627.7927* 627.7927@0.83297026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.7927 *627.7966* 627.7966@0.82797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.7966 *627.8034* 627.8034@0.8383546 1 1 1 1 1 1 1 1 1 1846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1 1 1 1 3317 1 1 1 4673 1 1 1 1 1 1 3734 1 1 2653 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 627.8034 *627.8146* 627.8146@0.8259958 1 1 1 1 1 1 1 1 3393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.8146 *627.8345* 627.8345@0.8189907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4555 1 1 1 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.8345 *627.8521* 627.8521@0.82298195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2160 1 1 1 1 1 1 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.8521 *627.8625* 627.8625@0.8209734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 3144 1 1 1 1 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 1 2435 3357 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 627.8625 *627.8724* 627.8724@0.8210807 1 1 1 1 1 2850 1 1 1 1 1 3007 1 1 1 1 1 1 2295 2195 2555 1 2042 3016 1 1 3170 1 2743 2744 1 1 3241 2765 1 1 1 2528 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 3091 1 2458 1 1 1 1 2752 1 1 1 2177 1 1 1 1 1 1 3036 1 1 1 1 1 1 1943 1 1 2152 1 1 1 1 1 1769 2921 627.8724 *627.8847* 627.8847@0.82057005 3918 3861 1 1 1 1 1 1 1 1 3056 1 1 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 4509 1 1 1 1 1 1 1 1 1 1 1 627.8847 *627.8929* 627.8929@0.81750417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.8929 *628.142* 628.142@0.87867135 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 49893 1 1 1 1 1 1 1 1 5818 1 1 4592 55005 1 1 1 1 1 1 1 1 628.142 *628.5595* 628.5595@14.655185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 1 1 6161 628.5595 *629.1205* 629.1205@4.9358993 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2329 2360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 4499 1 1 629.1205 *629.1441* 629.1441@0.81331635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.1441 *629.6792* 629.6792@0.8482234 1 1 1 1 1 1 1 1 1 1 1 1 1 6109 1 1 1 5539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7859 1 1 5072 1 1 4172 1 4193 1 1 1 1 1 4805 1 1 4291 1 1 1 1 1 1 1 1706 1 1 1 1 5281 5062 1 1 1 1 1 1 6507 1 1 1 629.6792 *629.6891* 629.6891@0.84866846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4619 1 1 1 4917 1 1 1 1 1 1 1 1 1 1 1 1 1 5545 1 1 1 1 4641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5142 5905 1 1 2148 1 4643 1 1 1 1 3079 1 1 1 1 1 1 1 4910 1 1 1 1 629.6891 *629.8017* 629.8017@0.8271912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3769 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 1 1 1 1 1 1 1 1 1 2295 1 1 1 1 1 1 1 1 1 629.8017 *629.8059* 629.8059@0.8369127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.8059 *629.9553* 629.9553@0.81444323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3596 1 1 1 1 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.9553 *629.9679* C17 H18 N4 O14 S4 1 1 3725 3947 3539 3399 1 1930 3576 2575 3920 2717 1 1 1 3698 1 1 2674 2460 3375 3500 1 1 1 3331 2618 3579 1 3866 3620 2430 1 2386 3284 1 3257 2894 2439 1 2742 1 1 3429 3167 1 1 1 3216 1 1 1 1 1 2802 1 2268 1 1 1 3845 1 1 3585 2330 1 1 3000 1 2474 1 1 2537 3397 1 1 1 1 1 1 2529 2795 3402 4395 2771 1 2519 3864 1 3083 629.9679 *631.666* 631.666@0.8479435 1 2419 2406 3527 2490 1 1 2184 1 4014 1 2413 1 1 1 1 4170 1 1 1 1 2525 1 2267 2319 5093 2296 1 2299 1 1 4231 2795 1 1 2702 3434 1 1 6467 2331 2272 1 3937 5387 1 1 2568 1 2362 1 1 2602 1 1 7208 1 1 1 1 2234 1 1 2417 1 1 1 1 1 5491 2140 2266 1 10344 4822 2550 4235 3648 1 1 2182 3478 2113 8607 1 1 1 1 3828 4020 631.666 *631.8188* 631.8188@0.8294768 1 1 1 1 1 1 1 1 1 1 1 1 3690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.8188 *631.829* 631.829@0.82099354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 1 2496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.829 *631.8408* 631.8408@0.82588756 4733 1 1 1 1 1 1 1 3363 1 1 1 1 1 1 1 1 1 1 3615 1 1 1 2542 1 1 1 1 1 1 1 1 1 1930 1 1 1 1 1 1696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1962 1 1 2183 1 1 1 1 1 2429 1 1 1 1 1 1 1 1 4588 1 1 1 1 1 1 1 1 1 1 1 631.8408 *631.8484* 631.8484@0.82295704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.8484 *631.8921* 631.8921@0.8169534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6141 1 1 1 1 1 1 631.8921 *632.1914* 632.1914@5.792403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50285 52916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.1914 *632.2019* 632.2019@8.296224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5701 6557 1 1 1 1 1 1 1 1 632.2019 *633.3229* C25 H35 N19 O2 3162 3015 1 1 2922 1 4870 4991 1 1 3532 3556 1 1 1 1 1 1 3700 1 3476 3221 3245 3376 2123 1 1 1 1 2748 6179 6276 5630 5568 1 1 5513 5160 4776 4613 5819 6092 1 1 3067 1 5978 5425 3320 1 6057 6685 1 1 5207 5287 7856 8760 6632 6346 5874 5536 1 1 4137 3917 1 3516 7330 6871 3790 4229 4427 4605 1 2924 4315 4168 3814 3435 3778 3499 3595 1 6843 6980 1 2946 6806 6717 633.3229 *633.6717* 633.6717@0.85093975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6519 1 1 1 1 1 1 1 633.6717 *633.698* 633.698@0.846998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6860 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.698 *633.7098* 633.7098@0.84926635 1 1 1 1 1 1 6481 1 1 1 1 1 3713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6814 1 1 1 1 1 1 1 1 1 1 1 1 1 4004 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 6214 1 1 4296 1 1 1 1 1 1 1 1 1 1 1 1 633.7098 *633.7146* 633.7146@0.8481099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7864 7723 1 6432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3985 1 1 1 1 1 6543 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 5845 633.7146 *633.7344* 633.7344@0.84798884 1 1 5924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2079 1 1 1 1 1 1 1 1 1 633.7344 *633.8113* 633.8113@0.82865363 1 1 1 1 1 1 1 1 1 1 2695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 633.8113 *633.8187* 633.8187@0.7909663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.8187 *635.3376* 635.3376@11.473524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8445 7827 4797 4304 1 1 4378 4648 4817 4861 3152 1 1 1 1 1 5612 5024 1 1 5655 5423 1 1 1 1 7566 7384 5368 5802 1 2696 1 1 4894 4431 1 1 6184 5789 1 3129 4043 3998 1 1 4039 3891 4089 3895 1 1 1 1 4807 5026 1 1 7578 7474 635.3376 *635.7034* 635.7034@0.8519402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 1 1 1 1 1 1 1 1 1 1 635.7034 *635.7158* 635.7158@0.85093975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 635.7158 *635.7231* 635.7231@0.846149 1 2319 1 1 1 1 1 1 1 2787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1 3794 1 1 1 1 1 1 1 3125 1 1 1 1 1 635.7231 *635.7447* 635.7447@0.8442496 1 1 1 1 1 1 1 1 9271 1 1 1 1 1 1 1 1 1 1 3723 1 1 1 1 1 1 1 10821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.7447 *635.8993* 635.8993@0.8149924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.8993 *635.9168* 635.9168@0.8179444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.9168 *635.9253* C20 H5 Cl N6 O15 S 1 1 2808 1 1 1 1869 2719 2612 1 1 1 3149 4423 3031 4012 1 2062 1 1 1 3153 5489 1 2801 2845 3250 1 4470 1 3134 2949 3956 1 3093 2663 5209 1 3875 2954 2986 2439 1 3270 2346 2784 1 3970 1 2196 2527 3681 2622 3878 1 3046 2910 1 4013 2276 1 4423 2972 3785 1 1 4269 1 1 2033 1 1 2980 2115 1 4263 4318 3772 2549 1 1 1 2809 1 4134 3003 4130 5327 1 1 635.9253 *635.9264* 635.9264@0.817215 7171 1 1 4689 5289 2847 1 1 1 2499 1 1 1 1 1 1 2165 1 1 4123 4741 1 1 4562 1 1 1 4524 1 3060 1 1 1 1 1 1 1 2815 1 1 1 1 4118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 4245 1 1 3076 1 1 4365 4493 1 1 4433 1 1 1 1 2701 2626 1 1 1 1 1 1 1 1 2743 635.9264 *636.3832* 636.3832@11.634659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9869 8967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5258 5645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.3832 *637.3522* C25 H39 N19 O2 1 1 1 1 4063 4308 4643 4821 1 1 1 1 1 3894 1 1 1 1 5061 5350 4187 4904 1 1 1 1 1 1 5281 5038 9027 9478 7477 6950 1 1 6000 6059 9784 9760 4251 4581 4896 5328 1 1 6902 6187 1 1 6804 6874 1 1 1 1 6665 7059 7098 7462 1 3554 1 1 5437 4923 1 1 6358 6331 1 1 5603 5110 1 1 5457 4241 6517 6061 1 1 3901 3965 9008 8337 1 1 10176 10557 637.3522 *637.7026* 637.7026@0.8499254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.7026 *637.7325* 637.7325@0.8509666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.7325 *637.7541* 637.7541@0.8456513 1 1 1 1 1 1 1 1 1 1 1 8897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.7541 *637.816* 637.816@0.82293034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 637.816 *637.8306* 637.8306@0.8165862 1 1 1 1 1 1 1 1873 1 1085 1 1 1 1 1 1 1 1 1 1 2054 1 1 2819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.8306 *637.842* 637.842@0.8167367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3218 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.842 *637.8955* 637.8955@0.81766003 1 3649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.8955 *637.9041* 637.9041@0.8119899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.9041 *637.9208* 637.9208@0.8169812 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1715 1 1 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 637.9208 *637.9246* 637.9246@0.8144797 1 1 1 1 1 2149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.9246 *639.6849* 639.6849@0.8519681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7665 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 639.6849 *639.7028* 639.7028@0.84781164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4193 1 1 1 4830 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7252 4600 1 1 1 639.7028 *639.7116* 639.7116@0.8473678 1 1 4974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7563 1 1 1 1 1 1 4286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.7116 *639.7462* 639.7462@0.8400588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.7462 *639.8302* 639.8302@0.8076369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1705 1 1 4526 1863 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 639.8302 *639.8344* 639.8344@0.8016943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 1 1 1406 1 1 1 1403 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 1 1 1 1 1 639.8344 *639.9157* 639.9157@0.8149161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.9157 *639.9249* 639.9249@0.8103265 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1346 1781 1446 1 1477 1454 1 2045 2454 1 1 1 1513 2032 1232 1 1 1 1256 1 1 1288 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1203 1900 2370 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1289 1 1 639.9249 *639.939* 639.939@0.80989903 1 2474 1 1 1856 1 1 1 1 1 1784 2507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1342 1 1 1 1899 1 2070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 639.939 *640.1681* 640.1681@8.577879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5312 5093 1 1 1 1 1 1 1 1 640.1681 *641.6839* 641.6839@0.84817386 1 1 1 1 1 1 5015 5028 1 1 1 1 1 1 1 3103 1 7884 1 1 1 3320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8100 4169 1 1 1 1 2076 1 1 1 1 1 1 1461 1 2098 1 1 7403 1 1 1 8178 1 1 1 1 3503 1 9545 1 2696 1 1 1 6783 5142 1 1 1 1 3497 1 1 1 3478 9701 1 1 1 1 7458 1 1 641.6839 *641.691* 641.691@0.8488116 2261 2501 1 1 1 1 1 1 1 1 1 2110 1 5977 1 1 1 1 8188 1 7759 1 1 1 1 2290 1 1 3733 1820 4357 1 7935 2897 1 6172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1569 1 1 1 3615 1 1 1 1 1 1 1 4768 1 6595 1 1 1 2358 1 3066 1 2636 2978 3673 1 1 8077 1 1 1 1 1 1 641.691 *641.706* 641.706@0.8549328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.706 *641.8415* 641.8415@0.8144873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 641.8415 *641.8527* 641.8527@0.81486046 1 1 2695 1 1 1 2295 1865 1 1 1 1 1 1 1 1 1 1767 1624 1 1556 1 1995 1 1 1 1 1 1421 1 1 1706 1 1 1 1561 1 2028 1 1 1875 1 1 1 1 1768 1 1769 1 1434 2024 2385 1455 1498 1829 1 1 2118 1 2643 1 1 3091 1 2050 1 3030 2238 1 1 1 1 1938 1 1914 1 1 2159 1 1 1424 1496 1 1 1 1 1 1907 1 1 641.8527 *641.8629* 641.8629@0.81793976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1583 1 1 1 641.8629 *641.8689* 641.8689@0.8189533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2109 1 1 1 1 1 1 641.8689 *642.489* 642.489@14.223534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7230 7211 642.489 *643.6809* 643.6809@0.85249597 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.6809 *643.7699* 643.7699@0.8399837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 1 1 1 1 1 1 5283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.7699 *643.7838* 643.7838@0.82902807 1 1 1 1 1 1 1 2448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.7838 *643.8048* 643.8048@0.8262188 1 1 1 1 1 1 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.8048 *643.8119* 643.8119@0.8190318 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.8119 *644.1112* C22 H24 N14 O2 S4 4176 4006 1473 1424 1652 1642 1 1 1 1324 3742 3389 1221 1 1619 1578 1 1 1 1 1643 1657 1 2081 1 1569 1894 2133 2415 1930 1 1306 2115 2184 2157 1990 1605 1565 2135 2267 1432 1978 1928 1724 1 1492 1720 1457 1 1342 1 1252 1002 1 1214 1156 1 1 1448 1672 3278 2818 2584 1 1 1235 1 1135 1 1 1210 1434 1476 1 1 1615 1558 1756 1377 1483 1452 1 2075 2268 1362 1 2402 1920 1720 1690 644.1112 *644.1155* C18 H28 N8 O14 S2 20256 1 11787 13013 1 15133 1 1 13042 13502 20895 21503 13420 13412 14369 14595 12511 12689 10887 11187 13374 1 13269 13955 13065 1 14963 15340 15497 8318 15302 1 14018 15917 18597 18727 15567 15765 18905 18393 15416 15753 14209 14328 14541 13701 15849 15602 13156 13451 13920 11556 12906 1 13072 13100 15058 13934 16121 16515 22397 21827 22205 21376 15381 15470 12305 13128 12452 11640 14234 13624 15429 15611 15410 15887 14425 15891 16279 16266 14875 14111 18816 19220 11379 16364 20100 20015 1 17378 644.1155 *644.1165* 644.1165@0.89559203 1 18481 1 1 15842 1 9091 8493 1 1 1 1 1 1 1 1 1 1 1 1 1 14275 1 1 1 12831 1 1 1 5840 1489 14783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12560 1 1 1 1 1 1 1 1 1 2761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16989 1 644.1165 *644.4036* 644.4036@13.539173 1 1 5544 5239 1 1 1 1 6572 6941 1 1 1 1 8650 8864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5790 1 1 1 1 1 1 1 1 1 1 1 1 11265 11756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4036 *644.4244* 644.4244@11.625982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4235 4178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4244 *645.7273* 645.7273@0.8430106 1 1 1 1 1 1 1 1 1 1 1 1 3119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.7273 *645.755* 645.755@0.837028 1 1 3401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.755 *645.7826* 645.7826@0.8259923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.7826 *645.8682* 645.8682@0.8029129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2707 1 1 1 645.8682 *645.9112* 645.9112@0.8149584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.9112 *645.9272* 645.9272@0.81293505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.9272 *645.9368* 645.9368@0.8105857 1 1 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4403 1 1 1 1 1 1 1794 1 1 4155 1 1 1 1 1 1 1 1 1 1 1 3081 1 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4248 1 1 1 4279 1 1 3828 1 1 1 1 1 1 1 1 1 1 1 645.9368 *645.9455* 645.9455@0.8103467 6769 1 4263 4549 1 1 1 1 1 1 6609 5374 4081 1 1 1 1 1 1440 1 5337 5126 1845 1 4251 1 1 1806 1 5256 1 1 4441 1 1 5509 1 3854 1 4937 4505 1 4706 1451 1 4462 1 1 1 1 1 4276 1 1 1 1 1 1 4261 1 5662 1 5652 1 1 1 1 1 1 1 4209 1 4424 3707 1 1 1 1 1 1 1 3785 5742 5455 1 1 1 1 1 1 645.9455 *645.9561* 645.9561@0.8130157 1 3919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.9561 *647.6476* 647.6476@0.84592783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647.6476 *647.7764* 647.7764@0.84895474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 1 1 1 1 1 1 1 1 1 1 1 1 647.7764 *647.8216* C19 H7 Cl3 N6 O4 S5 4145 4143 16827 5496 5860 13639 5954 8945 6981 19565 3575 1 9632 4421 5684 1 5055 1 19317 6267 11340 17199 4192 5768 5258 10655 10629 12309 1 7645 11292 1 18002 5395 1705 4924 5750 5643 5686 4388 13369 10858 12673 5034 19095 5713 11768 1 16668 1398 15162 11745 17092 6004 10531 6015 15552 3208 4364 13114 4036 5096 10487 1 5020 1 1 4734 1 6237 1 3940 1 5833 1 4227 10363 3812 4632 10355 1 6044 11481 3711 5900 5779 5343 5569 1 5401 647.8216 *647.8285* 647.8285@0.8300847 1 1 1 1 1 1 1 1 1 1 1 1 3187 1 1 13463 1 6627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4884 1 1 1 1 1 1 1 1 1 1 1 1 1 17407 1 1 8484 1 13300 1 1 1 1 1 1 1 1 1 1 1 17263 1 1 1 1 1 1 1 17541 1 647.8285 *647.851* 647.851@0.8086928 1 1 1590 1 1 1 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1400 1 1 1 2696 1 1 1 1 1 1654 1 1 1299 1 1 1 1 1 1 1895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 2050 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647.851 *647.8632* 647.8632@0.8060071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647.8632 *648.2798* 648.2798@4.3801384 1 1 1 1 1 1 1 1 1 1 1 1 3260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.2798 *649.6506* 649.6506@0.84794766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.6506 *649.7835* 649.7835@0.85 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.7835 *649.8023* 649.8023@0.8653355 1 1698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.8023 *649.8146* C20 H7 Cl O13 S5 11049 7741 1 8390 6641 1 1 1621 1 1 8217 8607 1 11881 13260 1 8493 1 1 11081 1 1 12398 11613 6738 1 1620 1 6986 1424 1 10450 1 1878 7483 7490 1 1 1 9598 1 1 2183 2093 1 8821 2302 1 1 12283 1 2284 1 6987 1 1 1 12000 1 1 6984 6513 1 1 8051 1426 1264 4098 1857 1986 1 4071 10760 4292 2525 10040 1 4533 1759 2106 1 7312 1984 2346 6895 2005 1696 2441 1 10902 649.8146 *649.8227* 649.8227@0.8437024 1 1 1 1 1 1 11344 1 9637 1 1 1 1 1 1 1 1988 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 4970 1 1 5605 1 10632 1 1 1926 1 7276 1 1 1 8135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1982 4740 1 1 1 9203 1 1 1 4331 8689 1 1 1831 8803 1 1427 1 1 7618 1 4998 7137 6213 1 1 649.8227 *650.1225* 650.1225@0.9033333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 2272 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1122 1 1316 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1274 1 1 1 2106 1341 1 5316 1 1 1 1 1110 1 1 1267 1 650.1225 *650.124* C20 H26 N8 O15 S 14174 13457 8499 7571 7920 8016 4336 3979 5386 6079 11040 10638 6083 6272 7752 6995 5933 5193 5789 5229 8173 7821 7348 7843 8277 7703 8713 7492 9678 8760 6056 5881 8085 8416 9312 9008 7576 6697 7785 8554 7189 7534 7512 7275 6407 6189 7195 8087 6485 6764 6196 5923 4530 4851 6044 5768 4159 4319 7029 6581 10329 11071 9224 9386 5472 5487 4828 5568 4174 3895 5730 5727 7163 6574 6986 6320 7281 7883 5458 6032 6870 6615 9714 9980 5520 5895 7865 7518 7452 7848 650.124 *650.1244* C20 H26 N8 O15 S - 0.9042099 27959 26847 25062 25033 25058 25057 20413 19881 24467 24280 25844 24427 25127 24998 24254 24424 23438 21751 22011 21767 22978 25709 25262 25244 21766 22159 25725 25863 26897 25991 23798 22615 25429 25086 26898 24919 25524 25429 27669 27544 24967 26256 23751 24350 25391 24930 24141 25843 26665 26159 23796 26168 22363 24034 22983 23593 23629 23291 24737 25895 27711 28513 28915 30311 23566 23035 20288 23569 23549 21898 21425 20949 25361 24003 24234 23452 24961 23855 22806 23717 20800 24539 28432 26554 24959 25363 28137 26705 29428 27375 650.1244 *650.4448* 650.4448@13.465585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4222 5939 650.4448 *651.6825* 651.6825@0.8484831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.6825 *651.7478* 651.7478@0.8569398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 651.7478 *651.7791* 651.7791@0.84547687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 1 1 1 1 651.7791 *651.7909* 651.7909@0.8419313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.7909 *651.8078* 651.8078@0.8635149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 1 1 1 1 1 1895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.8078 *651.821* 651.821@0.8371193 1 1 1 1 1 4538 1 5195 1 1 1 1 3660 1 1 2724 1 8016 1 1 2897 1 1 1 1 2770 4448 1 1 3311 1 1 1 1 4731 1 1 4635 1 1 1 2785 1 1 1 1 2820 1 1 1525 1 2841 1 2845 1 1 1 1 1 2752 1 1 1 1 1 1 1 2928 3196 1306 1653 3566 1 1 1 1 1 5761 1 1 1 7330 1 1 1 1 1 1 1 1 651.821 *651.8512* 651.8512@0.8109925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.8512 *651.871* 651.871@0.8109135 1 1 1 3282 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 2012 2309 1 1 1 1 1 1 1909 1 1 1997 2443 1 1 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 1 1 1 2779 1 1 1 1 1 1 1 2509 1 1 1 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.871 *651.8755* 651.8755@0.81330854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 2945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.8755 *651.8901* 651.8901@0.81251955 2004 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.8901 *653.8163* 653.8163@0.82333267 1 1 1 1 1 1 1 3875 1 1 1 1 1 1 1 1 1 1 3340 1 1 1 1 1 2996 1 1 1 1 1 1 1 1 3944 1 1 1 1 1 1 1 1 3143 1 1 1 1 1 1 4428 1 1 1 1 1 3278 1 2608 1 1 1 1 1 1 1 1 1 1 4657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.8163 *653.8208* C17 H4 Cl2 N4 O14 S3 1123 1 1 1 1855 1 3034 1 2537 5923 1 1660 4185 3237 1735 1 1631 1 1 3506 2865 1 1 2381 1 2610 1 1797 3171 2653 1885 1860 1 1 1 2838 1 1 1 1731 1427 1 1 1 2918 1360 3321 2384 1 1 3903 1977 1921 6206 1 1 1 1 3147 1 1 1 1 1 2038 1 1 2221 1 3250 1 2682 2106 3187 1334 2346 1 1 2727 1 1 1 1 1833 4280 2238 2154 2758 1 3571 653.8208 *653.8438* 653.8438@0.82147944 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.8438 *654.1865* 654.1865@2.869417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8968 1 1 1 1 1 1 1 1 654.1865 *654.3041* 654.3041@11.161918 2944 1 1 1 1 1 1 1 1 1 1 3322 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 1 1 1 1 1 2762 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5666 1 654.3041 *654.305* C36 H46 O11 8433 8324 8074 7774 8004 7834 8522 8562 8460 7827 9593 9496 8484 7843 8438 8089 8588 8840 9282 9789 9339 9135 9968 10188 8634 8501 8998 9672 9238 10542 9613 10529 8033 10210 7385 8510 8992 8696 8856 9846 9836 8514 8772 8427 9085 9459 9293 8989 9263 9118 9783 9878 9277 9135 9252 8791 9789 9907 8985 8825 8982 7719 7527 7425 7722 8367 8110 8228 7397 7870 7612 7859 7110 8092 7872 7772 7186 7603 7664 8482 7969 7803 8078 7167 9124 9412 7788 7682 2373 9896 654.305 *654.4765* 654.4765@14.225886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5208 5172 1 1 1 1 1 1 1 1 1 1 4817 5284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7008 7538 654.4765 *655.3308* 655.3308@8.343157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6642 6625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.3308 *655.6704* 655.6704@0.84502167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.6704 *655.7968* 655.7968@0.82963896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 3594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.7968 *655.8243* 655.8243@0.815356 1 1 1 1 1 1 1 2439 1 1 1 1 1 1 3183 1 2679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.8243 *656.2293* C35 H36 N4 O7 S 3413 3289 6535 6527 3814 3446 2664 3044 5296 5230 5509 5297 3557 3577 7645 7409 3458 3779 6159 6337 4596 4606 6581 6743 5847 5681 6533 6066 5304 5337 4898 5652 2223 2170 3145 3020 5006 5122 4132 3911 6430 6545 8583 8638 4490 4608 7626 7371 8524 9534 4927 4631 6602 6092 8868 8818 6403 6376 8770 9553 11777 11326 6341 5944 4213 4088 6194 7031 8005 7959 9928 9407 9113 9386 8290 7981 10499 10125 7000 7360 8156 8601 10020 10817 7645 6622 8963 9055 4479 4253 656.2293 *656.4265* 656.4265@13.097351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4718 4712 1 1 1 1 1 1 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.4265 *657.3461* 657.3461@8.318698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11399 11242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.3461 *657.3469* 657.3469@7.879915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3052 3280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.3469 *657.6559* 657.6559@0.84847796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 1 1 1 1 1 1 1 1 1 1 1 657.6559 *657.664* 657.664@0.84842837 1 1 1 1 1 1 2254 1 1 1 1 1 2155 1 1 1 1 1 1 1 1 1999 1856 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 1 1 2298 1 1 2294 1 1 1 1 1 1 4996 1 1 4100 5314 2649 1 1 1 1 5777 1396 2772 1 3864 1 1 1 1 7470 1 1 1 1 1 4230 3343 6027 4234 1 1 2476 2579 1 1 1668 1 2914 5800 1 2580 657.664 *657.8254* 657.8254@0.8305659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 2094 1 1 2428 1 1 1 1 1 1 1 1 1 1 1 1 1923 1 1 1 1 2387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1 1 1 1 1 1 2415 1 1 1 1 657.8254 *657.8318* 657.8318@0.8274911 1 1 1 1 1 1 2871 2605 1 1 1 1 1 1 1 1 5465 1 1 1 1 2951 1 1 1 1 1 1 1 1 1 1 1 1985 1 2311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3293 1 1 1 1 4704 1 1 1 1 1 1 1 1 1 1 1 2163 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 657.8318 *657.8499* C25 H4 Cl2 N2 O10 S3 4739 2870 3165 1 3605 3253 1 1 3363 3397 2714 4967 2904 4005 3640 6178 1 3579 2829 3320 1 1 1 4059 1 3482 2818 2316 1 2583 2179 1 1 1 1 1 2603 1 2198 5281 3045 1 2829 2393 2815 3498 3449 1 1 3024 3092 3117 1 1 3264 3239 1 3296 3366 5684 1 1 1 1 1 3284 2844 3243 2576 3596 3162 2964 1 1 3037 1 2979 2432 1 2658 3677 2963 1 3084 2769 1 2463 2990 3553 1 657.8499 *657.8573* 657.8573@0.81984526 1 1 1 2326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 1 1 1 1 1 1 1 1 2194 1963 1 1 1 1 1 1 1 1 2980 1 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 3300 657.8573 *658.0135* 658.0135@5.3207536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5433 5024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.0135 *658.2806* 658.2806@5.728983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2924 3460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.2806 *659.3636* 659.3636@8.959042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7606 8025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.3636 *659.6741* 659.6741@0.84603375 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.6741 *659.6802* 659.6802@0.84945357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 1 659.6802 *659.8111* 659.8111@0.8286274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 1 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.8111 *659.8197* 659.8197@0.82332236 1 1 1 1 1 1 1 1640 1 1 1 1 1 1 1 1 1 1 1 4473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 1 1 3172 1 1 1 1 1 1 1 1 1 1 2717 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.8197 *659.829* 659.829@0.82579046 1 1 1 1 2869 1 4261 1 1 2977 1 1 1 2416 1 1 1 1 1 1 1 3316 2830 1 1 1 1 1 1 1 1 1 2314 1 1 2479 3250 1 1547 1 2899 2594 4513 1 1 1 1 2896 1 4291 1 1 1 2745 1 2726 3940 1 1860 1 1 1 1 1 3296 2953 2231 1 1 1 1 1 1 1 1 2180 1 1 1 2717 1 1 3317 1 1 1 1 1 1 1 659.829 *659.8364* 659.8364@0.8242599 1 1 4942 2612 1 1 1 1 4761 1 2754 1 2296 1 3284 1 1 1 1 1 1 1 1 2348 1 3399 1741 1 3801 1671 1 4676 1 2020 2315 1 1 1 1 1 1 1 1 3251 3392 2886 1 1 1 1 2726 2388 2774 1 1 1 1 1 1 1 3968 1 1 2649 1 1 1 1 1 6325 1 1 1 1 1 1 4536 3831 1 1 2598 1 1 3471 1 1 2700 4843 6193 1 659.8364 *660.5497* 660.5497@14.141869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4955 4742 1 1 1 1 1 1 1 1 1 1 1 3470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 660.5497 *661.7327* 661.7327@0.8430246 4901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 661.7327 *661.8289* 661.8289@0.82348096 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1135 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 661.8289 *661.8453* 661.8453@0.82074344 1 1 1744 1 1 1 1707 1 1 1 1 1 1 1 1 1632 1 1 1174 1 1 1 1881 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1679 3927 1871 1 1 1 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1770 1 1 1 1415 1 1 1 1 1 3946 1 1 4032 1 2177 1 1 1 1 1 1 1 1731 661.8453 *661.8481* 661.8481@0.81900656 1164 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 2098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 661.8481 *662.174* 662.174@2.8649182 1 1 1 1 1 1 5269 5482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.174 *663.6332* 663.6332@0.8489474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 663.6332 *663.788* 663.788@0.84201956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.788 *663.8008* C22 H3 Cl3 N6 O3 S5 14391 13695 4507 16035 4640 18701 4501 1 5685 12913 14075 19339 4656 5502 1 4386 1 1312 18845 4854 5769 1 4986 18824 4466 16068 1 4490 1 3571 4554 16672 11969 5674 4810 16762 16697 5006 3724 5155 4568 4545 3310 1697 12803 1 4931 12693 1413 4455 1 12548 4061 18216 1 4733 19167 3912 4768 1 2874 4673 22140 1470 1806 4604 1875 1434 4424 4906 1 1 1 4339 12263 4548 13147 10841 4997 1 4588 1 4263 1490 6159 1 6316 1 15103 3571 663.8008 *663.8087* 663.8087@0.8328888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3262 1 1 3295 1 1 1 1 1 1 1 1 1 1 4981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5648 1 1 2798 1 1 1 1 1 5620 1 1 1 1 3589 1 1 1 2907 1 1 1 3294 1 1 5372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.8087 *663.8204* 663.8204@0.8170275 1 1 1 1 1 1 1 3256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.8204 *663.8377* 663.8377@0.782075 1 1 1 1 1833 1 1 2798 2535 1 1 2708 1 2690 1 1 2625 1 1 1 1 1 2678 1 1 1 1 1 1993 1 1 1537 2420 2751 2759 2022 1 1 3113 2889 1 1 2937 1 1 1 1 2570 2420 3384 1 2537 1 2719 1 1 2983 1593 1 1 1 1 1166 1 1 1 1 1 3130 3034 1 2370 2091 2920 3072 2930 1 1 2503 1 2870 1 1 1 1 1 1 1 1 2787 663.8377 *663.8396* 663.8396@0.8013293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 663.8396 *665.7889* C16 H4 Cl2 O19 S3 1 1 12167 1 7569 1 12917 9808 1 1 1 1 14706 14177 8580 14059 7399 7123 1 2170 12512 7389 7043 1 7115 1 1 14162 11051 9248 12169 1 1 7591 8854 1 1 7313 14420 7800 1 13021 10977 7230 1 14170 7410 1 8536 13185 7077 1 12607 1 8781 13380 1 13396 7205 14062 1 14339 1 15075 7359 10963 9432 6669 12919 9068 6631 12364 7254 8897 1 6885 1 1 7663 7246 1745 6067 1 2180 7757 13672 7597 10938 1 7290 665.7889 *665.792* 665.792@0.84330076 1 1 1 1 1 1 1 1 7977 1 1 1 1 1 1 1 1 1 1 12550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5274 1984 1 5268 1 1 1 1 1 1 665.792 *666.0937* C23 H18 N14 O7 S2 6745 6973 3643 3404 4227 3296 1542 1654 2809 3049 6257 6215 3134 2605 3146 3484 2108 2366 2038 1873 3001 3655 3650 3548 3624 2538 4125 3330 4915 3543 3239 2209 4333 4457 5031 4642 3999 2965 4939 4498 3250 3261 2635 3984 3035 2595 3318 3833 3087 3106 2402 2729 1708 2431 2152 2699 1791 2051 2833 2962 6065 6220 4926 5316 2641 2712 2282 2354 1394 1496 2044 2192 2679 3532 3218 3099 3576 3756 3045 2994 2373 2402 5143 5184 2758 2678 3843 3963 2686 3526 666.0937 *666.0978* C23 H30 N4 O13 S3 13596 13836 10083 9506 11365 10752 7437 7329 10235 9854 14293 15051 9423 10945 10236 10629 9483 9483 8740 8979 9949 10028 10239 10189 9145 9336 10988 10947 11117 10716 10798 10440 11859 11656 13289 13541 10697 11385 12497 12690 10363 11174 10333 11022 10521 10317 11181 10954 9396 10095 9837 9587 9499 8836 8924 9608 10108 9773 11853 11309 14017 14149 15035 15011 9378 10464 8482 8919 9101 8158 9489 9058 10259 10240 10141 10696 10501 10327 11052 10404 10299 10077 11772 12307 10544 10766 12972 12659 11264 10600 666.0978 *666.5746* 666.5746@13.463081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4939 1 1 1 1 1 6284 10058 11044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4629 4483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4975 5450 1 1 1 1 6157 6774 1 1 12564 18293 666.5746 *667.5393* 667.5393@13.612631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.5393 *667.7664* 667.7664@0.8483084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 4942 2616 1 1 2453 1 1 1 1 1 1 1 1 667.7664 *667.772* 667.772@0.8559505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.772 *667.782* 667.782@0.84566206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 5054 1 1 1 1 1 1 6380 1 1 1 1 1 1 5669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4266 1 1 1 1 1 1 1 1 1 1 1 1 1 667.782 *667.7874* 667.7874@0.8517593 1 1 1 1725 5148 1 1 1 4579 1 1 1 1 1 1 1 4983 1 1 1 1 1234 1 1 4889 1 1 1 1614 1 1 1 5922 5569 1 1 1 1 1 5450 1 1 1 1 1 1 5214 4100 1 1 1 1 1 1 1 1 1 1 1 1 4955 1 1 1 1 1914 1 1 1 1 1 1 4843 1 1 5251 1 1 1 1599 1540 1 4422 4656 5525 1 1377 1 1 4989 667.7874 *667.7939* 667.7939@0.8464454 5711 5071 1 1 1 1 1 1605 1 5294 4916 1 1 1 1 1 1 1 1 1 1 4599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5811 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4657 1 1 1 667.7939 *667.8352* 667.8352@0.8206515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2202 1 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.8352 *667.8513* 667.8513@0.8195702 1 1 1 1 1 1 1 1 1 4165 1 1 1 1 1931 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1 1 2151 1773 1 1 1 1 1 1 2773 2450 1 1 1 1 1 2266 667.8513 *667.8546* 667.8546@0.81866693 1 1 1 1 2314 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 2451 4459 1 1 1 1 1938 2031 1 1 1 1 1 1 1 3512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 667.8546 *667.8718* 667.8718@0.82101583 1 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.8718 *668.536* 1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol 3097 3296 2785 2950 1 1 3626 4347 1 1 3038 3291 1 2725 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 3072 8755 5586 5379 8925 9032 1 1 5445 4897 8026 7364 4091 4222 4179 3971 5043 5062 5142 5365 1 1 14361 14129 3974 3959 4586 4648 7591 6816 3831 3657 3686 3945 1 1 6425 6397 4668 4807 3824 3700 2448 1 4254 4430 4638 5199 3647 3727 5220 5567 1 2889 3187 3213 5335 5625 1 1 9523 9885 668.536 *669.7663* 669.7663@0.84599257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1895 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.7663 *669.78* 669.78@0.84802485 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.78 *669.7845* 669.7845@0.84200203 1 1 1 1 1 1 1 1 1 1 1476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 669.7845 *669.8429* 669.8429@0.82073617 1 1 1 1 1 2398 1 1 1 1 1 1 1 1 1 1 1999 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 2513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 3235 1 1322 1830 1 3097 1 1 1 1 1 1 1 1 1 1 2564 1 3529 1 1 1 1 1 1 2086 2749 1631 1 1 1 1693 1 1 1 1 1 669.8429 *669.8537* 669.8537@0.81995004 1 1836 3493 1 1 1 1 1 1 1 1 1 1874 2126 1 1 1 1702 1 1 2428 2449 1 1 2167 1647 1 1985 1416 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 2051 1 1 1382 1 1225 1 1 1929 1 1 3276 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1741 1 2932 1 1 2074 1 1 1 1 1 2310 1 1 1 2124 1 1 669.8537 *669.8718* 669.8718@0.8169692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 669.8718 *671.6554* 671.6554@0.84772384 1 1 1 1 1 1 1 1 1 1 1 1 4548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6001 1 1 1 1 1 4634 1 1 1 1 1 671.6554 *671.6666* 671.6666@0.8483875 1 1 1 1 1 1 1 1 1 7563 1 1 1 1 4199 1729 5871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4318 1 1 1 1 1 1 4129 1 1 1 1 4827 1 1 5057 1 1 1 1 1 9022 1 8343 6926 1 1 1 1 1 1 1 1 1 4992 5356 4375 1 1 1 1 1 5394 6634 1 2038 1 4478 5618 1 6265 1 1 6074 1 1 1 7113 671.6666 *671.6746* 671.6746@0.8499268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5149 1 1 1 1 1 1 1 1 671.6746 *671.868* 671.868@0.81841457 1 1 1 1 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 4114 1 1 1 1 1 1 1 1 1 1673 1 1 1 1 671.868 *671.8716* C18 H10 Cl2 N4 O14 S3 1 1 3704 1 1601 2063 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1435 1 1975 1691 1 1 1619 1 1676 3916 2253 1742 2226 1563 1670 1 1474 1 1 1 1 1 1611 1 1762 1 2002 1 1 2628 2157 2207 2051 1 1919 1 1 1 1 2025 1 1 1 1611 1 1 2224 1 1 1619 1 1 1 1201 1 1 1 1973 1432 1423 3596 1799 1 1 1 1 3833 1679 1 1629 671.8716 *671.8944* 671.8944@0.8169597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1523 1 1727 1 1 1 1 1 1 1 1 1 1 1 1258 1 671.8944 *672.1061* 672.1061@0.89986396 1 1 1 1 1 1 1 1 1 1 13881 1 13526 1 1 1 1 12610 12740 1 1 1 1 1 1 1 1 13986 1 1 1 1 2803 1 1 1 1 1 1 1 1 1 1 1 1 14068 14514 14787 1 1 1 1 1 1 1 1 1 1 1 1 1 13839 16365 1 1 1 11908 1 1 1 11035 1 1 1 1 1 13322 1 1 1 13273 1 1 1 1 14084 1 1 1 1 672.1061 *672.2698* 672.2698@13.18435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3638 1 1 1 1 1 1 1 1 1 1 672.2698 *673.1414* C31 H19 N11 O8 1 1 1 1 2813 2880 1 1 1 1 1 1 1 1 3306 3297 1 1 3194 3491 2977 2826 1 1 2513 3025 1 2618 4894 5127 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 3657 2862 1 2662 1 1 2038 2479 3987 3895 1 1 1 1 4017 3844 4167 3897 1 1 3053 3178 5279 4909 1 1 4318 4652 3736 3312 3505 3440 5257 4902 673.1414 *673.6572* 673.6572@0.8469425 1 1 1 1903 1 2161 2023 1 1 1 1 1 1 3009 1 4296 1 1 4853 2421 2394 2172 1 2707 2047 3795 1961 1 3563 3338 2297 1 1 2439 2357 1 4415 1 1 1 4230 1 2523 3388 1 2341 1 1 2359 4917 2379 1 1 1 1 1 1 4174 1 4785 3752 1 1 1 1 1 1 1 1 7800 2258 1 2364 2511 1 1 1 2396 1 1 1 1 1 2360 1 1 2107 1 3151 1 673.6572 *673.7944* 673.7944@0.83949006 1 1 1 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.7944 *673.8053* 673.8053@0.8359837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.8053 *673.8141* 673.8141@0.8325145 1 1 1 1 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2501 2290 1 1 1 1 1 1959 1 2389 2253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2155 1 2727 2611 6147 1 1 1 1 1 1 1 1 1929 1 1 2304 1 1 1 1 1 2280 1 1 1997 1 1 2122 2262 1 1 1 2430 1 673.8141 *673.8285* 673.8285@0.8304796 1 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6545 1 1 1 1 1 1 1 1 1 1 1 1 1 2906 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 1 2281 2465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2790 1 1 1 1 1 1 1 1 1 1 673.8285 *673.8445* 673.8445@0.82236534 3046 2929 1 3025 1 3607 1 3383 1 3137 1621 2676 2606 2911 2274 1 1 1 3863 2962 1 1 5557 2920 1 2231 1 1 2935 1 1 2730 2790 3002 1 1 1 1 1 1 3557 1 3530 1 3449 3279 3927 1 2122 1 1 2788 1 1 1352 1 1 1 1 1 1 1 1 1 2070 1 1896 1 1 1 4736 1 1 3001 2599 1 2854 1 3909 1 1 1 3629 1 1 2322 1 1 1 3554 673.8445 *673.8494* 673.8494@0.8190388 1 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 3021 2518 1822 1 1 1 2913 1 1 1 1 1818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3102 1 1 1 3340 1 2326 2195 1 1 1 1 1 1 1 1 1 1712 1960 1 1 1 1911 1 2096 1 2857 1 1 1959 1 1 1 1 1 1 1 1 2385 1 1 1 1 1 1983 1 1 673.8494 *674.2285* 674.2285@14.724064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 1 1 1 3889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.2285 *675.3571* 675.3571@7.3269873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.3571 *675.6465* 675.6465@0.84398496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.6465 *675.6597* 675.6597@0.84873646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1631 1 2876 1 2941 1 1 1 1 1 1 1 1 1 1 1 1529 3081 2074 1 1 1 1 3394 1 1 1 1 1562 1 1 2601 1 1 1 1 2958 1 1 1 675.6597 *675.6668* 675.6668@0.84498525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.6668 *675.6761* 675.6761@0.84574664 1 1 1 1 1 1 1 4744 1 1 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 1 1 1 1 1 1 1 1 1 1 1 675.6761 *675.7595* 675.7595@0.8449536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.7595 *675.8* 675.8@0.828116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 5434 2449 2352 2631 1 1 1 1 1 3442 1 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 1 1 1 1 675.8 *675.8124* 675.8124@0.82866436 1 1 1 1 1 1 1 2982 1 1 1 2033 3032 1 2426 3081 1 2914 1 2017 1 2142 1 3407 1 1 1 5281 2771 1 1 1 1 3160 4328 2765 1 2772 1 1 1 1 3018 2920 4907 1 1 1 1 1 1 1 2862 1 3126 1 1 1 2866 1 1 1 1 2890 1 1 1 1 1 3312 1 1 2463 1 1 1 1 1 1 3986 1 1 1 5077 1 1 1 1 2132 1 675.8124 *675.8202* C18 H9 Cl O16 S5 1 1 2782 3652 3284 2975 1 1 2688 1 2675 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 1 1 1 1 2655 2560 1 1 1 1 1 3207 1 3152 2529 1 2953 1 1 1 1 1 1 1 1 2579 1 1 1 1 1 1 1 1 1 4693 2108 1 1 4308 5125 1748 3867 1 1 4044 1 1 1 2877 1 3372 3790 1 1 1 1 1 1 1 1 3088 1 1 1 675.8202 *676.1701* 676.1701@2.8681014 9185 9327 1 1 1 1 28086 28750 1 1 1 1 12371 12578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5860 6671 1 1 1 1 1 1 1 1 1 1 9064 9771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7989 7293 1 1 1 1 1 1 22297 21920 676.1701 *677.6813* 677.6813@0.84605956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.6813 *677.6954* 677.6954@0.84674865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4937 1 1 1 1 1 1 1 1 4318 1 1 1 1 1 1 1 1 1 1 1 1 8282 3912 1 1 1 8337 1 1 1 1 677.6954 *677.7023* 677.7023@0.8445916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4477 1 1 1 1 6951 10309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2727 1 1 1 1 1 677.7023 *677.7956* 677.7956@0.8360244 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.7956 *677.8309* 677.8309@0.8283414 1 1 3942 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 3129 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.8309 *677.8375* 677.8375@0.8339353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.8375 *677.8763* 677.8763@0.81499135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.8763 *677.892* 677.892@0.8173717 1 1 1 1 1 2175 1 2201 1 1 2027 1827 1 2560 1 4639 2075 2562 1 3808 1 1 1 1 1 1921 1 5559 1 4209 1 1 1 1 2063 1 1 1959 1 2285 1 2903 1 2441 2846 2296 6243 1987 1 1 2527 1 1 3956 2238 2700 1775 1 2014 1 4141 1 2252 1 4783 1 5403 1 2274 1 2314 2468 1 1 1 2651 1 9319 1 1 1 1876 1 1 1 1 1 1 1 1 677.892 *677.8976* 677.8976@0.8173093 6814 6705 1 4349 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 2755 1 1 2301 1 1 1 1 1 1 1 1 2331 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 3628 1 1856 1 1 1 1 1 1 1 1 1 4405 1 677.8976 *678.2625* 678.2625@8.386758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11147 10895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.2625 *678.3573* 678.3573@7.441179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.3573 *679.7005* 679.7005@0.851437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 1 1 1 1 1 1 1 1 1 1 1 1 4630 1 1 1 1 1 1 1 1 679.7005 *679.72* 679.72@0.8466745 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 1 1 1 1 1 5662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.72 *679.7304* 679.7304@0.84735364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1 1 1567 1867 1 1973 1 1 1 679.7304 *679.7404* 679.7404@0.84215707 1 1 1 1 1 7293 1 1 1 1 1 1 1 1 7861 1 1 1 7368 1 1 7509 1 1 1 1 1 1 1 3069 7046 1 1 1 9522 2718 1 1 1 1 7744 1 1 1 9588 1 1 1 1 1 1 1 1 1 8766 1 1 7681 1 1 1 1 1 1 1 1 1 1 1 1 1 6776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.7404 *679.7636* 679.7636@0.8435813 1 3864 1 1 1 1 1 1 1 1 1 1 1 1 1 6469 5762 2763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6845 1 1 2846 1 1 1 1 1 1 1 1 1 1 3156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.7636 *679.7737* 679.7737@0.84793156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6747 1 8023 2549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.7737 *679.8156* C23 H4 O15 S5 1 1 1 1 1 1 2232 1695 2186 3077 2859 2419 2646 2358 3015 3145 2670 1844 2911 2925 2526 2024 2993 2501 1 1859 1851 2453 1 2140 3342 4117 2806 3145 2220 2104 2162 2083 2569 3005 1741 2036 2234 2312 2464 2006 2744 2758 2549 2919 3729 4290 2545 1 3002 2770 3205 3587 1967 2566 1 1 1473 1 3521 3484 2974 3977 2394 2943 3231 2291 2656 2550 2440 3517 2903 2342 2127 2500 1940 2577 1 1 3138 1976 3088 3241 2207 1 679.8156 *679.8724* 679.8724@0.81808317 1 1 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 1 1 1 1 1 2132 1 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 2474 1 1 2257 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1 1 1 1 1 1 1 1683 2041 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 679.8724 *679.8942* 679.8942@0.8172639 1 1 1890 1 1950 2015 1 1 3842 1 1900 1719 1 1 1 1 1 1 1 1 1 1 2490 1 1 2435 5065 1 2256 1 1 1 1 1443 1 2633 2803 1 1 2085 1 1 1708 1726 1540 1792 1 2515 1598 1 2389 2250 1 1 1 1 1543 1 1 1 1 2677 2349 2524 1 1 1 1 1 1 1 1 1 1934 1843 1 1 1 1778 1 2048 1 1 1 1217 1517 2781 1 1 1 679.8942 *679.8985* 679.8985@0.81777155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 1 1 1 1 5209 1 1 1 1 1 1 4732 679.8985 *679.9096* 679.9096@0.82197297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.9096 *681.705* 681.705@0.84895474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6427 1 1 1 1 1 1 1 1 1 1 1 1 681.705 *681.7174* 681.7174@0.84794074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6440 1 1 1 1 1 1 1 1 1 681.7174 *681.7369* 681.7369@0.84521127 1 1 1 1 1 1 1 1 1 5014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2871 1 1 4128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8937 3754 1 1 1 1 1 3490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3115 1 1 1 1 5913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5746 681.7369 *681.7498* 681.7498@0.8449728 1 1 1 1 1 1 1 1 1 1 1 1 4303 2874 1 1 1 1 6184 1 1 1 7416 6034 1 1 1 1 1 3117 1 8951 3613 1 1 1 1 4205 1 1 9386 9919 3738 7803 1 1 1 7094 1 1 1 1 1 1 1 1 1 1 1 1 1 9782 1 1 4755 7476 1 1 1 1 3008 3903 1 1 3446 1 1 1 7402 4892 1 1154 4528 7810 2383 1 1721 5223 1 1 681.7498 *681.7548* 681.7548@0.8406108 1 5497 1 1 1 1 1 1 1 1 1 5279 1 1 1 1 1 1 1 1 4048 1 1 1 1 1 1 1 1 8162 2787 1 1 1 1 9185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2852 1 1 1 681.7548 *681.9021* 681.9021@0.8134862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1775 1 1 1 1 1 1 1 1 1 1 681.9021 *681.9117* 681.9117@0.81342214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 2440 1985 1 1 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1904 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1 1 1 1 681.9117 *681.9158* 681.9158@0.8131532 1 1 1819 1 1 2170 1 1 1 1 1 2042 1880 1 1 1 1 1 1084 1 2534 1 1 1 1 1 1 1 1 1911 1 1 2105 1844 1 1 1 1 1 1 1 2563 1 2239 1 1 2768 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1945 2789 1 1 1 2521 1 1 1 1 1383 1 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 681.9158 *682.1496* 682.1496@5.1400633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109815 107689 1 1 1 1 682.1496 *682.2997* C37 H46 O12 48676 49519 52524 50555 57429 57842 69221 72665 45675 46293 48290 48590 39690 39728 36231 35540 28903 29527 56233 56830 55959 54751 62012 60813 35597 32010 40444 37988 75269 75134 25922 25345 39055 38594 8903 8288 11642 10771 12907 12986 51086 55552 8797 7430 20363 19304 15684 16070 22338 22186 75492 73404 32958 40483 39522 32581 42529 41310 12808 12314 33748 33732 36112 37007 19137 19280 53356 55770 14573 13920 52988 52778 72723 73923 36819 36508 16967 16343 89710 88989 11397 12017 63750 62196 48202 48438 21934 23006 84885 84144 682.2997 *682.9881* 682.9881@4.116831 1 1 1 1 1 1 3728 4031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.9881 *683.6975* 683.6975@0.8497118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 3768 1 1 1 1 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1 1 683.6975 *683.7093* 683.7093@0.8496813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3645 1 1 1 6477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7411 1 1 1 3993 1 1 1 1 2248 2567 1 1 1 1 1 1 1 683.7093 *683.7249* 683.7249@0.84651613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 4605 2857 3929 1 1 1900 1 1 1 2693 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 5010 1 1 1 1 4812 1 1 2702 3038 1 1 1 1 1 1 4768 1 1 2609 4253 2582 1 1 1 1 1 1 1 5443 1 1 1 1830 1 1 1 1 1 1 1 1 1 1 3926 1 3047 1 683.7249 *683.7385* 683.7385@0.84561145 3296 1 1 2163 1 3779 1 1 1 3191 1 1 2068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3177 1 1 1 1 5441 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1818 1 1 1 1 5102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.7385 *683.7618* 683.7618@0.84102225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.7618 *683.7774* 683.7774@0.8480075 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.7774 *683.8256* 683.8256@0.8213582 1 1 1 1 1 1 4506 1 1 1 1 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.8256 *683.8359* 683.8359@0.8226579 1 1 3427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 1 1 1 1 683.8359 *683.848* 683.848@0.83105004 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.848 *683.8588* 683.8588@0.8160135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.8588 *684.2701* 684.2701@3.1748114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3661 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3459 3518 1 1 1 1 1 1 684.2701 *684.4522* 684.4522@14.599729 1 1 1 1 1 1 1 1 9017 9399 1 1 1 1 12976 12946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7472 7901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.4522 *685.6622* 685.6622@0.84700763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.6622 *685.6798* 685.6798@0.84795064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2012 1 4380 1 1 1 1 1 1 1 1 1 1 1 1 2185 685.6798 *685.6911* 685.6911@0.8529402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 1 1 1 1 685.6911 *685.7091* 685.7091@0.8519907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.7091 *685.7281* 685.7281@0.8420126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.7281 *685.7395* 685.7395@0.84394103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1943 1 1 1 1 1 1 1 1 1 1 685.7395 *685.7499* 685.7499@0.84502685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.7499 *685.7678* 685.7678@0.8357318 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 3015 1 1 1 1 1 1 1 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.7678 *685.8136* 685.8136@0.8254951 1 1 1 1 1 1 1 1 1 1 1 1 3187 2749 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.8136 *685.828* 685.828@0.8239987 1 2218 1 1 1 1 1 1 1 2082 1 1 1 1 1 1 1 1 1901 1 1 2096 1 1 1 1 1 3705 1 1555 1 1 1 1 2729 1 3514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 3191 1 1 1 1 1 1 1 1 3955 685.828 *685.8411* 685.8411@0.81926453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 2712 1 1856 1 1 1 1 4880 1 1 1 1 1 1 1 1 1 1 4001 1 1 1 1 1 1 1 1 1 1 1 4732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 1 1 1 1 1 1 685.8411 *685.8551* 685.8551@0.8150093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.8551 *685.9198* C28 H2 N2 O20 5659 5513 6020 5970 7699 7254 7210 6841 6986 6661 7641 7082 7179 7080 5059 4957 7513 7343 2928 2992 3418 3388 3658 3422 4793 4220 4770 4622 2211 2150 5188 5653 6306 6713 6049 6749 6120 6161 5678 5549 5778 5619 3579 4081 6966 7436 3542 3261 5098 5672 7037 7061 3189 3224 6055 5999 6561 7029 2299 2315 3234 3844 5237 4751 7303 7510 6996 7404 5723 5668 5463 5638 3541 3523 6323 6472 4604 4734 4658 4521 2736 2801 3395 3528 3928 3865 3754 3778 2948 3011 685.9198 *685.9374* 685.9374@0.8110234 6212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.9374 *686.5642* 686.5642@14.222335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3649 1 7066 6924 1 1 1 1 4420 4413 8259 8487 1 1 1 1 1 1 1 1 1 1 8205 8164 1 1 1 1 1 4063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4549 4866 1 1 1 1 1 1 1 1 12174 12129 686.5642 *687.65* 687.65@0.843993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.65 *687.6673* 687.6673@0.8494761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 1 1 1 1 1 1 1 1 1 1 687.6673 *687.7532* 687.7532@0.84096676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.7532 *687.9026* 687.9026@0.81402946 1 1 1 1 1 1 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.9026 *687.9173* C20 H17 Cl N2 O15 S4 1 1 2585 3957 1 3869 1 1 2153 2086 3098 1 2410 1 2443 2014 1 1962 2658 1 1 3146 1 2548 1639 2069 2580 1926 1 2617 1954 3056 3305 1 1 2775 2461 2280 1 1 1 1909 2737 2338 1 1 2382 1 1 3308 2734 3609 1 2025 3254 3147 1 1 2419 1 1 2308 2172 3014 1 1 1 2297 1 1 3138 2279 1 2294 1925 1807 2312 1 1 2182 1 2269 1 2582 2172 2044 3294 2316 2319 3730 687.9173 *687.9303* 687.9303@0.8120004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2833 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.9303 *688.0746* C23 H24 N6 O15 S2 10402 10108 4677 5165 5470 5204 2873 2715 4129 4376 8683 8657 4424 4259 5407 4874 3640 4120 3697 3678 5249 5237 4640 4604 5422 5014 6077 5843 6802 6577 4738 4736 6283 6305 6937 6874 6069 5297 6413 6694 5347 4466 5721 5550 4384 4492 5141 4800 4780 4132 3972 4848 2614 3094 4160 3363 3690 3336 4561 4849 8580 8996 6695 6710 4006 3784 3454 3384 2179 2665 4065 3933 4573 4881 5337 4581 5822 5560 5184 4131 4304 4160 7453 7016 4192 3846 6294 6447 5294 5343 688.0746 *688.0791* C21 H24 N10 O11 S3 10149 10350 6983 7325 8411 8114 4921 5432 7117 7515 9934 10001 7542 7208 8335 7444 7227 7234 6299 6020 7694 7448 7470 7645 6763 6711 7810 7941 8348 8727 8118 7820 8061 8207 9399 9445 8325 8044 8878 9023 7970 8319 7336 7131 7215 7123 7515 8145 7143 6300 7488 7260 6481 6531 6846 6869 7055 6831 7133 7339 10760 10322 10227 9985 7640 7377 6354 5835 6873 5553 6483 6443 7480 6693 7411 6987 6795 7222 7148 7047 6828 6571 7948 8627 7299 7502 8739 8593 7998 8139 688.0791 *689.6352* 689.6352@0.84946764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1 1 1 1 1 689.6352 *689.7873* 689.7873@0.83085406 1 1 1 1 1 1 1 1 1 1 3001 1 1 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1875 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2436 1 1 1 1 1 1 1 1 1 689.7873 *689.794* 689.794@0.83396924 1 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.794 *689.8058* 689.8058@0.82100636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.8058 *689.871* 689.871@0.8159732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.871 *689.8945* 689.8945@0.81498617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.8945 *689.8984* 689.8984@0.8154693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.8984 *690.2897* C28 H46 N6 O12 S 1 1 3498 3625 2615 2979 1 1 3515 3693 3050 2904 1 1 4593 4353 3277 3172 3379 3347 2823 2470 2824 2819 3248 2868 4378 3904 3058 3187 3355 3584 3315 3453 4317 4419 4857 4994 4325 4315 3820 4412 5726 5913 4478 4632 1857 1932 5684 5915 3823 3988 4563 4305 6359 6296 5717 5216 3246 2941 8278 7796 2839 3282 4674 4140 3492 3320 4659 4314 5394 5504 4261 4175 3969 4025 5450 5793 4899 4938 4224 4553 8282 8490 4463 3994 6018 5842 1 1 690.2897 *691.6796* 691.6796@0.8506129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3854 1 5270 1 1 1 1 1 1 1 1 1 1 4218 1 1 1 1 1 1 1 1 1 691.6796 *691.6843* 691.6843@0.848964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691.6843 *691.699* 691.699@0.8494766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 691.699 *691.7225* 691.7225@0.8460427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691.7225 *691.7668* 691.7668@0.82934403 3855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691.7668 *691.7914* 691.7914@0.8261606 1 1 1 1 1 1 1 1 1 1 1 1 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2121 1617 1 1 2054 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 691.7914 *691.9448* 691.9448@0.8083515 1 3314 1 1 2520 1 1 1 1 1 1 1 1 2819 2572 1 1 1 1 1 1 1 1 2744 1 1 2776 1 1 1 2377 1 1 2731 1 1 2716 1 1 1 1 1 1 1 1 1 3013 1 1964 2366 2924 1 1 1 1 1 2509 1 1 2412 1 1 1 1 2959 1 1 1 1 1 1 1 1 1 2025 1 3309 1 1 1 1 1 1 1 2798 1 3300 2663 1 2858 691.9448 *692.979* 692.979@13.556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.979 *692.9795* 692.9795@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9795 *692.98* 692.98@14.689934 1 1 1 1 1 1 1 1 1 1 4454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.98 *692.9801* 692.9801@14.755665 1 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9801 *693.0555* 693.0555@3.1264927 1 1 1 1 1 1 7248 7274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 693.0555 *693.6922* 693.6922@0.8486726 1 1 1 2331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3913 4329 1 1833 2107 1 1 4396 1 2176 1442 2864 1 1 1 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2569 1 1 8079 4993 1 4866 1 1 4292 1 1 1 4602 1 1 1 1 1 1 1 1 693.6922 *693.714* 693.714@0.8479912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 5780 1 1 1 1 4645 1 1 1 1 1 1 1 1 1 1 13602 1 10272 1 1 1 1 1 1 1 1 1 10686 1 1 1 1 1 1 1 5128 1 1 1 1 5883 1 4669 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 4322 1 1 1 1 1 1 1 1 1 11118 1 1 1 693.714 *693.8479* 693.8479@0.82995623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 1 1 1 1 1 1 1 1 1 1 1 693.8479 *693.8574* 693.8574@0.81800807 1 1 1 1 1 1 1 1 1 1 1 1 1 4233 1 1 1 1 1 1 3701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 693.8574 *693.8707* 693.8707@0.8178511 1 1 1 1 1 1 1 1 1 1 1 1 2908 1 1 1 1 1 1 1 1 1 2048 4346 1 4784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2854 1 1 1 4693 1 1 1 4143 3172 1 4880 1 1 1 2595 1 1 1 1 1 1 1 1 1 1 1 1 2571 2644 1 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 693.8707 *693.8797* C37 H4 Cl2 O7 S2 5840 6447 3067 4094 4798 3629 1 1 4127 1996 1 5445 1 1 3949 1 2134 1879 1 1 1 3224 1 1 1 1 2420 1 2768 2950 4196 4262 5248 1 2971 1 2903 2310 4050 1 1 2807 4467 2111 1 2566 1945 1 1 1 2409 1 1 2707 2677 1 1 2329 1 1 1 1 5201 4065 1 1972 1 2107 1 1 1 1 4063 1 1 1 2202 1 1 3902 2739 2224 1 1 1 1 1 3525 1 1 693.8797 *694.0873* C25 H26 O23 14234 14326 8895 8920 9147 8607 5688 4975 7140 6899 11148 10672 7475 7418 8190 8512 7603 7117 6216 6610 8707 9366 8378 8529 8647 8686 9286 9119 10799 10766 7565 6937 9512 9894 10371 10064 9402 8485 9521 9259 7523 7922 8865 9156 7855 8377 8645 8518 7802 7677 7672 7570 5528 6505 6762 7124 5719 6137 7763 7914 10784 11415 10261 10422 6939 7196 5999 6406 5234 4894 7146 6791 8938 8035 7738 7777 9212 9072 7356 7483 7412 7437 10651 10635 6876 7122 8763 9234 9240 9610 694.0873 *694.0879* C25 H26 O23 - 0.8931766 10124 9563 8920 8527 9621 8973 6969 7190 9048 9656 8188 7466 8268 8546 8801 9125 7828 7970 8299 6769 9278 8504 8983 8783 7894 7176 8956 8938 8795 9195 7585 7866 8456 8995 10229 9911 8568 9066 9397 8902 9972 8593 8337 8630 8863 9408 8987 9079 8704 9415 9388 9519 7468 7786 8210 8376 8088 7105 8236 8323 8379 8887 10584 10664 9000 8601 7662 7302 8322 7701 7212 7062 8065 7710 7885 7558 8293 8969 7669 7741 7563 7891 8922 8636 8809 8386 8914 8892 10081 9761 694.0879 *695.6984* 695.6984@0.84828526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 695.6984 *695.7081* 695.7081@0.8481689 1 3994 1 1 1 1 7351 1 1 1 1 1 1 1 1 1 5665 1 1 1 1 1 1 1 1 1 1 1 1 1970 6592 1 1 1 1 1 1 1 5180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6366 1 1 1881 1 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6041 1 1 1 8380 1 695.7081 *695.7273* 695.7273@0.84352624 1 1 1 1 1 5520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.7273 *695.7324* 695.7324@0.8435089 5532 1 1 1 1 1 1 1 1 1 2310 9942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.7324 *695.7951* 695.7951@0.77948105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.7951 *695.8473* 695.8473@0.8166986 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.8473 *695.8635* 695.8635@0.81845224 1 1 1705 2779 1 1 1 1 1 3539 1 1 2537 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 2630 3023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2861 1 1 1 1 1 1 2907 1 1550 1 1 1 1 1 1 1 1 1 1 1592 1 1 1440 1 1 1581 1603 1 1 1 1 1536 1 1 1928 1 1 1 1 1459 1 1 1 695.8635 *695.8736* 695.8736@0.81831867 1 1 1 1 1 1 1 1 1 1 2593 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2155 1973 1 1 1 1 1 1 1 1 2377 1 1 1 3488 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1661 1 1 1 1 1 4058 1 1 1 1 1 3879 1 1 1 1 1 2436 1 1 1855 1 1 1 1 695.8736 *696.3101* C30 H40 N12 O8 1 1 3736 3615 3074 3170 1 1 3923 3938 3730 3487 1248 1 4633 4807 4507 4811 3970 3914 3229 3394 3659 3601 4118 3854 4275 4301 3681 3781 4400 4946 4439 4483 5044 5485 5661 5635 5327 5553 5234 5711 6246 6495 5812 5831 2311 2509 6118 6332 5977 5834 6339 5931 6908 7056 5735 5623 2875 2923 6387 6329 5045 5210 5544 5539 4243 4283 5982 6109 6109 6214 5640 5990 6308 6255 6732 6444 5066 5461 4247 4285 6833 7159 5025 4958 6437 6099 1 1 696.3101 *697.6907* 697.6907@0.8489816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 4529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5986 8474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.6907 *697.7306* 697.7306@0.8470014 4935 1 1 1 1 1 1 1 1 1 4652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.7306 *697.7602* 697.7602@0.8249984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.7602 *697.9248* 697.9248@0.81060773 1 1 1 1 1 1 1 1238 1507 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 2463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.9248 *697.9328* 697.9328@0.8139301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.9328 *697.9452* 697.9452@0.8104475 1 1 1 1882 1 1 1 1 1 1 2394 1 1 1 1 1 1 1 1 1 1 1 1916 1 2095 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 1 2107 1 697.9452 *697.9563* 697.9563@0.81002337 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.9563 *699.2885* C34 H33 N15 O3 3691 3731 4452 4388 5340 5814 6250 6416 4539 4698 4627 4465 4120 1 3378 3721 1 1 5575 5339 6299 6394 6429 6387 3492 1 4391 4278 9178 8810 4823 4889 4723 3924 1 1 1 1 1 1 4443 1 1 1 1 1 1 1 1 1 10348 10594 1 1 1 1 4567 4323 1 1 1 1 2688 1 1 1 5512 4725 1 1 4229 3658 5873 5449 1 1 1 1 7341 6936 1 1 5029 4934 3635 1 1 1 9545 10219 699.2885 *699.6609* 699.6609@0.8483188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2296 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4380 1 1 1 1 1 1 1 1 699.6609 *699.6755* 699.6755@0.84933156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 2132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2410 1 1 1 1 1 1 1 1 1 1 1 1 699.6755 *699.7239* 699.7239@0.84401315 1 1 1 1 1 1 1 1 1 1 1 2902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.7239 *699.813* 699.813@0.81795055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.813 *700.1444* 700.1444@5.2439957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2351 2604 1 1 1 1 700.1444 *700.1758* 700.1758@9.955599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 3126 1 1 1 1 1 1 1 1 1 1 1 1 3491 3559 1 1 3019 3086 2730 2864 2416 1 3871 3741 700.1758 *701.6827* 701.6827@0.8479908 1 1 1 1 1 1 1 1 1 1 1 1 1 3361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.6827 *701.6981* 701.6981@0.84747195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6135 1 1 1 1 1 1 1 1 1 1 1 1 701.6981 *701.7151* 701.7151@0.8460009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.7151 *701.7271* 701.7271@0.8429923 1 4879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1 1 1 1 1 1 1 1 1 1 1 1 1 701.7271 *701.7362* 701.7362@0.8470248 6788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.7362 *701.7582* 701.7582@0.82702804 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.7582 *701.8071* 701.8071@0.8159913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.8071 *701.8203* 701.8203@0.8159442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 701.8203 *702.3301* C27 H46 N10 O12 1 1 1 1 1 1 1 1 1755 1684 1385 1560 1 1 1732 1735 2621 2160 1585 1617 1 1 1826 1723 1909 1931 2103 1820 1 1590 2666 2137 2551 2422 2306 2395 2802 2434 2914 2427 2675 2915 2696 2456 2739 2595 1 1 2640 2816 3252 3563 3683 3891 3410 3293 2561 2514 1 1 1 1943 3354 3213 2466 3149 1927 2494 3688 3559 3018 2262 3001 3394 4024 4145 3143 3549 2366 2582 1 1 2124 2388 1907 2073 2788 2134 1 1 702.3301 *702.5969* C41 H86 N2 S3 1 4835 1 1 5867 5938 4617 4875 1 1 1 4260 4846 4330 1 1 1 1 4915 5124 7080 6885 1 1 1 1 1 1 6573 6721 7882 7330 6539 6786 1 1 6747 6451 10148 10331 1 1 6420 6692 6237 6541 6487 6684 1 1 8785 8790 1 1 4363 4178 6301 5844 6228 5699 1 1 1 1 6233 6096 1 1 4202 4588 1 3802 1 4800 1 3994 4762 4891 7207 7719 4883 4364 1 4170 6497 6475 1 1 11286 11956 702.5969 *703.6917* 703.6917@0.8433208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4716 1 1 1 5069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.6917 *703.6994* 703.6994@0.8404886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5404 4220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.6994 *703.7156* 703.7156@0.84548914 1 1 1 1 1 1 1 4466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2525 1 1 1 1 1 703.7156 *703.7208* 703.7208@0.8429798 1 1 1 1 1 1 1 1 1 1 1 2652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4103 1 1 1 4573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4499 1 1 1 1 1 1882 1 1 1 1 1 1 1 1 1 1 1 703.7208 *703.7298* 703.7298@0.83400404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.7298 *703.7423* 703.7423@0.8300323 1 1 1 1 1 1 1 1 1 3196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.7423 *703.8751* 703.8751@0.81298923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 703.8751 *703.8882* 703.8882@0.81577235 1 1 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 4121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 703.8882 *703.8953* C23 H9 Cl O22 S 1 1 2462 4599 1 4410 1775 1 1 1 1 1 1 1 2195 1 1691 1 1 1885 1 1 1 1 1 2117 1 2646 1 2816 1 1 1 1 1780 3237 1 3651 2148 1 1 1 2147 2011 1 1 3021 2771 3370 1 3262 3110 1825 1 1374 1 1 1982 1 2562 1 3476 1 1 1824 1 3927 1 1 1 2835 1 1 3426 2605 3452 3329 3063 1 1 2061 1 2339 1 3050 1530 1 2761 2138 1 703.8953 *703.9094* 703.9094@0.8134153 2623 1 1 1 1 1 1 1457 1 1 1 4974 1 1 1 1 1 1 1695 1 2849 1 2039 1 1 1 1 1 1829 1 1 1 2113 1 1 1 1 1 1 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3282 1 1 1 1 1 1 1 1 1 1 1 1957 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 703.9094 *704.036* 704.036@0.81428814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1 1 1466 1 1 1 704.036 *705.715* 705.715@0.84895474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2254 1 1 1 1 1 1 1 1 1 1 1 1 705.715 *705.7255* 705.7255@0.8589655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1727 1 705.7255 *705.7399* 705.7399@0.847985 1 1 1643 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 1 1 1 1 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1716 1 1 2068 1 1 1 1 1 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 705.7399 *705.7571* 705.7571@0.8401189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3405 1 1 1 1 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 1955 1 1 3237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 1 1 1 1 705.7571 *705.7736* 705.7736@0.83442235 1 1 1 3618 1 1 1 7958 3320 3262 1 2596 1 1 3805 3392 1 1 1 1 1 1 1 1 3608 1 7544 1 1 1 1 1 1 3047 1 1 1 1 1 1 2568 1 1 1 14213 1 1 1 1 2722 1 2360 1 1 1 1 1 1 1 1 2702 1 1 1 1 3842 1 1 4213 1 1 1 1 4159 1 1 9310 1 1 1 1 1 1 1 1 3648 1 1 1 3776 705.7736 *705.7809* 705.7809@0.8307824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2288 1 3215 1 9618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8625 1 1 1 1 2349 1 1 2490 1 1 1 1 1 3423 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 2882 1 1 1 1 1 1 6209 1 1 705.7809 *705.8514* 705.8514@0.8149915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 705.8514 *706.9933* 706.9933@14.758653 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 706.9933 *707.7385* 707.7385@0.84603065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.7385 *707.7598* 707.7598@0.8619493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3533 1 1 1 1 1 1 707.7598 *707.7684* C22 H3 Cl3 O15 S3 4547 5146 11407 5378 1 5065 1 1 5290 11569 4123 4061 1 5227 5010 11252 1 10451 10770 5281 7664 10101 9707 9130 4334 1 1 9409 5068 3909 4762 4730 9685 4829 3178 5171 9470 5447 1 1 5486 1 7465 1 1 1 5133 4909 1 5539 1 1640 1441 5836 9516 5428 5385 1 4799 1 1668 4685 4517 4390 9468 1625 5415 4777 5169 1 4388 7354 5015 5565 1 6620 1 1481 1240 9365 1 1366 4919 3433 4940 1 1721 1803 10214 1 707.7684 *707.7725* 707.7725@0.86654377 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.7725 *707.7748* 707.7748@0.83658236 1 1 1 1 1 1 4029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5229 3812 1 5223 1 1 1 1 1 1 6043 1 9436 3277 3607 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 7292 1 1 1 1 3672 1 1 1 3772 1 8048 1 1 1 1 3764 1 1 1 6528 707.7748 *707.8668* 707.8668@0.8140437 1 1 1 1 1 1 1 1 1 1 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.8668 *707.9042* 707.9042@0.8139535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.9042 *707.9173* 707.9173@0.81196076 1 2070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1574 1 1 1 1 1 1 1 1 1627 1423 1 1 1 1 1 1 707.9173 *709.7274* 709.7274@0.8488067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4563 6598 1 1 1 1 1 3614 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 2046 1 1 1 1 1 1 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.7274 *709.7332* 709.7332@0.84739333 1 1 1 3116 1 1 1 1 1 1 1 1620 1 1 2025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 4366 1 1 1 1 1 1 1 2383 1 1 1 3957 709.7332 *709.7539* 709.7539@0.849526 1 4729 1 1 1 1 1 3849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 2614 1 6309 1 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4842 1 1 1096 1 1 3443 1 1 1 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 709.7539 *709.7656* 709.7656@0.8377868 3262 1 1 1 1 1 3062 1 1 1 1 1 1 4004 1 1 1 1 1 4204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3766 4055 4005 1 1 1 1 1 1 1 5640 1 4875 1 1 1 1 1 1 3943 1 1 1 1 1 1 4749 1 2881 2957 1 1 1 1 1 1 1 1 1 3516 1 1 1 1 1 4332 1 1 1 1 1 709.7656 *709.7823* 709.7823@0.8351278 1 1 1 1 1 1 1 1 3261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 1 1 1 3584 1 1 1 1 1 3577 1 1 1 1 2550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3303 1 1 709.7823 *709.8254* 709.8254@0.81622493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1761 1 1 1 1 1 1 1 1 1 1 1406 1 1114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.8254 *709.8359* 709.8359@0.81798446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.8359 *709.8467* 709.8467@0.81929064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2626 1 1 1 709.8467 *709.87* 709.87@0.81892765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.87 *710.0581* C24 H26 N2 O19 S2 13163 13287 6555 6418 7277 7317 3816 3929 4911 6261 11118 10962 5914 6069 6703 7197 4883 5720 5133 5034 6962 6975 6455 7154 6567 6728 7758 7537 8459 8868 6368 5943 8019 8138 8603 8564 7131 7456 8693 9081 6768 6600 6768 7806 5606 5578 6632 6680 6013 6049 6542 5421 5305 4209 5011 4750 3721 4707 6807 6551 10788 10202 9502 9683 5373 5626 5080 5046 3590 3709 5370 5797 6248 6755 6790 6869 7096 7199 6140 5838 6239 6168 8224 9447 5509 4762 8081 7821 7219 7291 710.0581 *710.0607* C21 H30 N2 O19 S3 7474 6968 5230 5331 6666 7580 3684 4195 6129 6245 7078 7172 5474 5347 6034 5716 5588 4640 4508 4764 6038 5627 5593 5612 4618 5756 6411 5915 5707 5862 6341 5662 6858 6669 7252 7355 6065 5761 7093 6902 6494 7138 5577 5686 6254 5552 6359 6893 5718 6214 4939 6204 4778 5515 5159 5419 6241 5587 6220 6131 8195 7684 8497 8403 6016 5534 4528 4539 4589 4696 5464 5059 5818 5525 6030 5117 5624 5092 5286 6199 4721 5405 6638 6373 5561 5538 7062 6640 5922 6377 710.0607 *711.7183* 711.7183@0.8490329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 711.7183 *711.735* 711.735@0.84381294 1 1 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 2683 1 1 1 1521 1 1 1 1 1 1 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2706 1 1 1 1 1 2063 1 1654 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 2164 1 1 1 1 1 1 3968 1 1 1 1 1 1 1 711.735 *711.7566* 711.7566@0.83802193 1 1 1 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 711.7566 *711.7735* 711.7735@0.8299895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 711.7735 *711.8038* 711.8038@0.8219582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 711.8038 *713.221* 713.221@3.1736233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2516 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2165 1 1 1 1 1 1 713.221 *713.7783* 713.7783@0.8249798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.7783 *713.8012* 713.8012@0.8129925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.8012 *713.8474* 713.8474@0.8169106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2466 1 1 1 713.8474 *713.9119* 713.9119@0.8090028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.9119 *713.9336* 713.9336@0.8100334 2697 1 1 1 1 1 1 1 1 1 1813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.9336 *714.1391* 714.1391@5.2474933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181207 180300 1 1 1 1 714.1391 *715.7208* 715.7208@0.8370455 1 1 1 1 1 1 1 1 1 1 4503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715.7208 *715.7689* 715.7689@0.83131284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715.7689 *715.7806* 715.7806@0.8313114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2123 1700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 2147 1 1 4031 1 1 1 1 1 1751 1 1 1 1 4060 1 1 1 1 715.7806 *715.8042* 715.8042@0.823638 1 1 1871 1 1 1 1 1 2218 2049 1 1 1 1 1 2009 1989 1 1 1 1 1306 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715.8042 *715.8167* 715.8167@0.81643355 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1131 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1669 1 1 1 1 1 1 1 1 1 1 1565 715.8167 *715.8314* 715.8314@0.81531525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715.8314 *715.8574* 715.8574@0.814011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715.8574 *716.0698* 716.0698@0.88951963 1 1 5584 1 1 1 4500 1 5410 5322 4812 4731 5223 1 1 1 1 5071 1 4879 1 1 1 1 1 5254 1 1 5299 1 1 1 1 1 5529 1 5899 5651 5296 1 1 1 1 1 1 1 1 1 6096 6009 1 1 1 4259 5221 1 1 5061 4858 1 1 1 1 1 5521 1 1 5041 1 1 4522 4477 1 4808 1 1 1 4605 4843 1 4557 4882 5552 1 1 1 1 5852 1 1 716.0698 *716.0698* 716.0698@0.8175832 1 1 8723 1 1 1 4671 1 1 1 1 9049 1 1 1 1 1 1 1 6443 1 1 1 1 1 7334 1 1 1 1 1 1 1 1 1 1 1 8235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 716.0698 *717.701* 717.701@0.8444618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.701 *717.7192* 717.7192@0.84001184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 1 1 1 1 1 1 1 1 1 1 1 5883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.7192 *717.7332* 717.7332@0.8430246 6977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.7332 *717.7859* 717.7859@0.8269911 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 2186 1 2571 1 1882 1 1 1 1 1 1 1 1621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2548 1 1 1 1 1 2351 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 3060 1 1 1 1 1 1 1 1 1 1 1 717.7859 *717.7974* 717.7974@0.82331795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2952 1 1 1 1 1 2411 1 2024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2706 1204 1 1 2268 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 3424 1 1 1 1 1 1 1 1 717.7974 *719.2428* C35 H45 N O11 S2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2516 2838 1467 1 1 1 1 1 1 1 1 1 2287 2222 1 1 1 1 1 1 2360 2430 2677 2701 2407 2537 2195 2269 3432 3639 2947 1 1 1 3394 3428 1 2093 2216 2535 3487 3377 3267 3028 1 2032 6230 6031 1 1 2543 2765 2170 2531 3111 3164 3995 3729 2814 2771 2403 2341 3548 3585 2934 3027 2714 2615 6051 6103 2633 2576 3923 3709 1 1 719.2428 *719.6886* 719.6886@0.84821147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3742 9263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3762 1 719.6886 *719.6984* 719.6984@0.8459878 1 1 1 1 1 1 1 1 1 1 1 16681 1 1 1 1 1 1 1 1 1 1 1 1 4463 1 1 1 1 1 1 3695 1 1 1 1 1 1 4145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 719.6984 *719.7424* 719.7424@0.8350056 1 1 1 1 1 1 1 1 5176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 719.7424 *719.7945* 719.7945@0.8236591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 719.7945 *719.8013* 719.8013@0.8230122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 719.8013 *719.8361* 719.8361@0.81693447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 719.8361 *719.8714* 719.8714@0.8137774 1859 1 1 1 1 1 1 1 1 1 1579 1864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1919 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2327 1 1 1617 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 719.8714 *720.537* 720.537@14.787843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.537 *720.5375* 720.5375@14.847271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 7924 16797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 12497 720.5375 *721.7221* 721.7221@0.8539417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2802 2799 1 1 1 2669 1 1 1 1 1 1 2838 1 1 1 1 721.7221 *721.7326* 721.7326@0.844948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.7326 *721.736* 721.736@0.84144324 1 1 3467 1 1 17430 4650 1 1 3436 1 3505 1 2914 19652 13275 3622 3468 1 1 1 1 1 1 4034 3615 3943 1 3775 2976 1 11438 3356 1 1 1 1 21375 1 1 10383 3998 1 4533 3462 2347 1 1 1 1 3535 11281 3088 1 3837 1 3369 1 1 1 1 1 1 3685 2603 4390 1 1 1 1 3147 1 1 1 1 1 3821 1 1 1 3647 2318 1 1 1 1 3781 3702 3780 1 721.736 *721.7514* 721.7514@0.8393358 1 3386 1 16289 1 1 1 1 1 1 3430 1 1 1 1 1 1 1 11197 1 1 4175 1 1 1 1 1 1 1 1 9947 1 1 1 11984 11161 12703 1 3265 3873 1 1 1 1 1 1 3515 1 4719 16076 1 1 1 1 1 1 1 4365 1 4000 4160 4243 11476 1 1 1 1 1 1 1 1 3669 1 1 1 8810 1 3570 1 1 1 1 1 1 1 1 1 1 1 2936 721.7514 *721.7709* 721.7709@0.82698137 1 1 1 1 2064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.7709 *723.5158* 723.5158@14.891624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.5158 *723.7524* C25 H2 Cl2 O12 S5 12341 11761 11827 1 7531 1 5541 5650 16382 12452 11009 5611 12231 11411 1 1 5864 12332 1 5888 7486 5992 6004 13420 12070 12703 5897 5788 6597 10495 1 1 15249 12915 1 1 1 1 12287 13425 1 6055 15326 5798 6721 6422 6520 13171 6456 1 13524 1 11888 11316 5827 5790 1 5850 12793 6807 13714 6180 1 13041 6305 13046 6185 12936 5799 6172 5539 5288 11823 12611 6083 1 6169 5967 10516 6485 5888 6010 5993 6357 12779 5963 6277 6128 6348 13111 723.7524 *724.1387* 724.1387@9.955841 1 1 1 1 3358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3175 3371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 724.1387 *724.5987* 1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol 4872 4687 3762 3711 5859 5930 5667 6239 1 1 4190 4484 3413 1 1 1 1 1 5105 4939 6866 6989 1 1 1 1 1 1 9091 8359 12351 12537 10949 10625 1 1 12368 13533 16490 15500 5216 4803 7977 8511 12656 12860 12042 12419 1 3413 19381 19203 5499 4977 5671 6594 17377 16269 9115 8360 4916 5149 1 1 13382 13599 6320 7105 9057 9389 6579 6331 10436 9930 7249 7212 9876 9571 14012 14164 6619 5984 6666 7008 12996 12807 1 1 15054 19643 724.5987 *725.263* C37 H39 N7 O7 S 1 1 2189 2140 1 1 1 1 1 1 1872 1933 1 1 3162 2858 2290 2190 2327 2408 2207 1 1 1992 2388 2318 2651 2532 2285 2387 2515 2464 2413 2338 2982 3020 3226 3733 3159 3241 3228 3121 4291 4107 3374 3553 1 1 3861 3989 3287 3278 3368 3635 4338 4225 4369 3632 1 1 5599 5783 2960 3392 3571 3796 3020 3109 4387 4479 4353 4263 4040 4042 4269 4271 5032 4865 3759 3589 2944 3391 5939 5851 3216 3027 4461 4131 1 1 725.263 *725.7482* 725.7482@0.8461922 1 1 1 1 1 1 4604 1 1 1 1 1 1 1 1 1 4521 1 1 1875 1 1 4668 1 1 1 4552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4725 1 1 1 5276 1 1 1 1 1 1 4739 1 1 1 1 1 1 1 1 1 1 5272 1 1 1 725.7482 *725.7509* C16 H5 Cl3 N4 O13 S5 1 1 1 1 4782 1 1 4259 1 1 1 7774 1 1 1 5562 1 1 1 1 4752 5093 1 1 1 1 1 4773 4763 2729 1 4920 1 1 5882 8562 5098 1 1 1 1 5170 1 5152 1 5224 4936 1 1 1 1 4864 1 1 1 4822 5043 1 1 5580 1 5537 5765 1 1 1 5370 1 1 5097 4461 1 1 1 5569 1 5187 5308 1 4915 5522 5474 5598 5323 1 5249 1 5365 5451 1 725.7509 *725.8123* 725.8123@0.8179779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 725.8123 *725.8305* 725.8305@0.81702024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 725.8305 *726.0241* C27 H26 N4 O10 S5 4879 4789 2280 2225 2966 2194 1 1 2042 1612 5084 4654 1781 1746 2321 2801 1633 1 1 1444 1776 1706 1743 2023 2334 2062 2870 1826 2741 3255 2412 1994 2744 3654 2540 3123 2008 1936 2946 2404 2689 2516 1957 2518 1568 1656 3075 2433 1736 1782 1698 1911 1514 1263 1464 1816 1816 1520 2010 2392 4062 4211 2434 3016 2237 1354 1386 1414 1 1 1586 1843 2569 2453 2462 2322 2094 2187 1587 2819 2326 1593 2733 3215 1404 2102 2216 2473 1782 2057 726.0241 *726.326* 726.326@13.188254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4653 4410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3785 3981 1 1 3911 3929 5465 5218 1 1 1 1 6613 6574 1 1 5030 5091 4496 3931 1 1 7151 6282 726.326 *726.5974* 726.5974@13.470008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4198 1 1 1 1 1 4856 1 1 1 1 1 1 1 1 1 1 1 1 1 6906 6545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.5974 *727.7303* 727.7303@0.84967804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2312 1 1662 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2458 1 1 1 1 1 1 1 1766 2187 1 1 1 1 2683 1 1 1 1 2273 1 1 1 1 1 1 1 4706 1 1 1 1 1738 727.7303 *727.7342* 727.7342@0.84853935 1 1 1 1 1 2852 1 2391 1 1 1 1 1 1894 1 1 1 1 1 1 1 1 2258 1 1 1 1 1 2338 1 1 1 1 1 1 1 1 1 3021 2642 1 1 1 1 2368 1 1 1 2583 1 1 1 1882 1 2362 2291 2450 1 2555 2121 3581 1 1 1914 1 1 1 1 1 1 2454 1 1 1930 1 1 1 2897 1 2667 2476 2611 3076 1 1 1 1 1 2206 1 727.7342 *727.7491* 727.7491@0.8482442 1 2133 1 2842 3087 1 1 1 1 1 1 1 1 1 1 2693 1 2148 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.7491 *727.7526* 727.7526@0.83986646 3399 1 3872 1 1 1 1 1 1 1 3440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4392 1 1 1 1 1 1 1 1 1 2166 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 1 1 3691 1 1 1 1 3019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.7526 *727.7929* 727.7929@0.82300806 1 1 1 1 1 1 1 2010 1 1 1 1 1 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.7929 *727.8208* 727.8208@0.81949604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 727.8208 *727.8333* 727.8333@0.81794316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.8333 *728.2258* 728.2258@8.3932495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4153 4219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 728.2258 *728.2983* 728.2983@8.300867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48329 47027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 728.2983 *728.611* 728.611@14.221744 1 1 1 1 7443 7559 1 1 1 1 1 1 1 1 1 1 1 1 4967 5015 8555 8694 1 1 1 1 1 1 9272 8741 17080 15914 8211 8544 1 1 10771 10459 20240 20582 1 1 7594 7291 9260 10133 8858 8574 1 1 19461 19576 1 1 1 1 9545 10514 9178 9780 1 1 1 1 6300 6037 1 1 1 1 1 1 1 1 1 1 4707 4884 11479 11425 1 1 1 1 8402 8795 1 1 27886 28382 728.611 *729.8256* 729.8256@0.81777924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1819 1 1 3415 1 1180 1 1 1 1 2641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3553 1 1 1 1 1952 1 1 1 1 1 1 1 1 1 1 1 4014 1 1 1 1 1 1 1 1 1 1 1 1 1 729.8256 *729.8384* 729.8384@0.8157453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2940 1 1 1 729.8384 *729.8688* 729.8688@0.8160811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.8688 *731.2831* 731.2831@3.1697094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2525 2802 2584 1 2794 1 1 1 1 1 1 2647 2661 2830 2878 1 1 3688 3285 1 1 3157 3003 3236 3298 3633 3392 1 1 1 1 1 1 1 1 1 1 1 1 731.2831 *731.7032* 731.7032@0.83801174 1 1 1 1 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.7032 *731.7144* 731.7144@0.8449892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.7144 *731.7513* 731.7513@0.83502114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.7513 *731.7838* 731.7838@0.8307659 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.7838 *731.7978* 731.7978@0.82699835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.7978 *731.8015* 731.8015@0.821589 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2991 1 731.8015 *731.814* 731.814@0.81789595 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1961 2630 1 1 1 1 1 1 1436 1 1 1 1 1727 1617 3169 1 1 1 1 1526 1 1 1257 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1488 1 1 1327 1 1 1 1 1 1739 1 1 3755 1 1 1132 1993 1556 1593 1 1 1 1640 3253 2326 1 2937 1 1 1 1886 1 1 1 1 731.814 *731.8306* 731.8306@0.8155374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 1070 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 1 1 2827 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 731.8306 *732.0394* C22 H20 N8 O17 S2 12783 13106 7628 7710 8168 8231 4125 4493 5738 6594 11363 10912 6859 6482 7771 6706 6171 5981 5291 6044 8153 7381 7548 7364 7414 7421 8687 7826 9569 9707 7075 7112 8686 8731 9146 9835 8348 7743 9323 8888 7548 7513 7452 7762 7532 7004 6441 7638 6687 6278 6342 7080 5430 5190 6436 6090 5510 5379 6891 7638 10878 12268 10194 10306 5822 6252 4981 5677 4822 4739 6506 6604 7719 7156 6761 6418 7749 8038 5960 6550 5988 4759 9767 9566 6049 6413 8442 8068 6972 7722 732.0394 *732.0426* C27 H28 N2 O14 S4 7078 6685 4714 4482 6097 5157 3047 4348 4457 5112 6797 6464 4685 5123 3952 5762 4235 4097 4634 3699 5005 5251 4845 5292 4265 4931 5004 4361 5306 5393 5009 5137 5196 4720 6531 6558 5179 4921 5637 5347 5160 5430 5413 5362 4105 4145 5228 4816 4178 4306 4960 4698 3935 4519 4535 4219 3761 5032 5000 5212 6289 6946 6639 6111 5326 5425 4208 4201 4009 4043 4303 4086 4540 4596 4469 4919 4282 5143 5128 3780 3848 3669 4852 5442 4817 5340 4545 5371 5466 5435 732.0426 *733.697* 733.697@0.85093325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.697 *733.7143* 733.7143@0.84174776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4064 1 4551 1 1 1 1 1 1 4291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.7143 *733.7298* 733.7298@0.84360456 1 4069 1 1 1559 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 1 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.7298 *733.7536* 733.7536@0.833481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2022 733.7536 *733.7733* 733.7733@0.8293598 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4484 1 1 1 1 1 1 1 1 2269 1 1 1 1 1 1 1 1 1 1 2126 1 1 1 1 1 2461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1495 1 1 1 1 1 2903 1 1 733.7733 *733.7828* 733.7828@0.8269934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.7828 *733.8401* 733.8401@0.8189432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3525 1 1 1 1 1 1 1 733.8401 *734.2423* 734.2423@8.388565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22873 22326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41758 40782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3154 3188 1 1 1 1 1 1 1 1 1 1 68894 66025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 734.2423 *734.5523* 734.5523@13.362928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9757 1 1 734.5523 *735.7045* 735.7045@0.84550846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4667 735.7045 *735.7081* 735.7081@0.84267116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.7081 *735.7245* 735.7245@0.84347486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.7245 *735.785* 735.785@0.8319581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 1 1 1 1 1 735.785 *735.8205* 735.8205@0.81598914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.8205 *735.831* 735.831@0.81738615 1 1 1 1 1 1 1 2315 1 1 1 1 1 1569 1 1 1579 1 1 1 1 1 1 1 1 1 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4169 1 1 1 1 1 1834 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.831 *735.8477* 735.8477@0.8181766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1809 1 1 1 1 1 1 1 1 1 1 1 6131 1 1 1777 1889 1 2036 4128 4088 1 4388 1 1 1 1 1 1 1 1821 1 3979 1 2180 1 1 1570 1771 1 1942 1 1 2065 2103 1948 3747 1 1 1 1 1 1 1 1 1868 1833 1 1 1 3287 1 1 1 1 1 1 1 1 1 1 1 1 735.8477 *735.8628* 735.8628@0.8189308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3239 1 1 1 1 1 1 1 1 735.8628 *737.0208* 737.0208@3.1289935 1 1 1 1 1 1 4536 4746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 737.0208 *737.7095* 737.7095@0.8433929 1 1 1 10846 1 1 1 1 1 1 1 1 1 6323 1 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 10964 1 1 1 1 1 1 1 7000 1 1 3749 1 1 1 2442 6395 1 2497 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 1 6869 1 1 1 8479 1 11025 10607 1 1 1 1 1 1 7513 1 1 1 1 1 1 737.7095 *737.7219* 737.7219@0.8445426 2255 1 1 1 1 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6664 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 2382 1 1 1 2393 3713 2756 2750 1 1 1 1 1 1 1 11574 2752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3491 1 1 1 737.7219 *737.7343* 737.7343@0.84171116 1 3313 1 1 2499 1 1 1 1 3261 3108 3802 1 1 1 1 1 1 1 1 3280 1 1 1 1 1 1 1 2627 1 1 1 2042 1 1 2430 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 737.7343 *737.8057* 737.8057@0.81948173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3291 1 1 1 1 737.8057 *737.821* 737.821@0.81899124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 737.821 *737.8341* 737.8341@0.8199907 1 1 1 2041 1 1 1 1 1 1 1 1603 1 1 1 1 1763 1 1 1 1 1 1 1393 1701 1 1 1 2699 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1815 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 3312 1 1 3913 1 1 1561 1 1 1 1 1 1 1 3353 1 1 1 1 1 1 1 1 1 1 2026 737.8341 *737.8519* 737.8519@0.81845444 1823 1 1 1 1 1 1 1 1 3628 1 1 1 1 1 1 1 1 1 1 2076 1608 1 1 1 1 1 1 1 1 1 1 1 1874 1 2218 1 1 1 1 1 1 1 3434 1 1 1 2428 4203 1 1 1 1 3565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3720 1 1 1 4151 1 1 1 1 1505 1 737.8519 *737.8565* 737.8565@0.81962305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5058 1 3502 1 1 1 1 1 1 1 1 1 1 4584 1 1 1 1 1 1 1 737.8565 *738.0509* C24 H22 N2 O25 - 0.8858191 3749 3698 4356 3611 3894 4029 3121 1 4374 4193 2928 3456 3703 3999 4536 4141 4159 3673 3812 3966 4193 4438 4174 4429 3693 3950 4369 4402 4721 3724 3758 4154 3546 4279 4447 5090 4275 3934 4408 4082 4501 3692 4623 4322 4545 3924 4470 4600 4812 4395 4799 4611 3744 4393 3746 3597 4158 3361 4076 3923 4388 3787 4737 3442 4227 3867 3289 3018 3903 3165 2887 3175 3906 3836 3479 3870 3823 3979 3137 3667 3803 4132 4094 3965 4127 3344 4017 3395 4051 4685 738.0509 *738.0519* C24 H22 N2 O25 13749 12266 7878 8648 9172 8676 5045 4817 6310 7062 8941 9229 7158 7151 8154 7427 6407 6588 6201 5796 8268 8133 7637 7846 7700 8196 8841 8121 9479 9269 7384 6979 8782 9019 8899 7929 8518 7990 8597 8750 7345 9621 7633 7879 7248 7686 6896 6815 7111 7968 7932 7238 5983 5623 6547 7244 5896 5227 6888 8060 9846 11001 10020 10821 7011 7661 6581 5853 5447 5884 6045 7243 7325 7666 7849 7147 8765 7873 6294 6403 7947 6990 10062 9168 6248 6941 8626 8449 8618 8474 738.0519 *739.7121* 739.7121@0.8451066 1 1 1 1 1 1 3599 1 1 1 1 1 1 1 7858 1 1 1 1 3119 1 1 1 1 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9674 1 1 1 1 3680 1 1 1 3940 1 1 10735 1 1 1 1 1 1 1 1 739.7121 *739.7174* C17 H3 Cl3 N2 O15 S5 4374 7079 7982 8436 8258 3956 1 9394 8338 1 8133 4286 3802 6509 1 1 3575 5542 1 1 1 6713 7512 3737 1 3686 4130 4849 8794 5008 1 4524 7438 8422 1 9398 1 6364 4124 1 1 3843 3681 3618 8009 6458 1 3995 4117 8586 1 8105 7466 3764 3519 10048 9413 4175 4286 3969 5165 10266 9889 9290 3813 12136 3553 1 5317 1 1 7673 3840 1 1 1 3791 7319 1 3649 1 1 4150 12425 1 1 1 8614 4121 4007 739.7174 *739.7317* 739.7317@0.8320043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.7317 *739.8444* 739.8444@0.8163276 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 739.8444 *739.8487* 739.8487@0.81666684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 1 1 1 1 1 1 1 1 1 739.8487 *739.8633* 739.8633@0.8171756 1 1 1 1 1 1991 1 1 1 1 1509 1 1 1 1 1707 1 1 1 1 2412 1 1 1724 1 3148 1 1 1 1 2971 2208 1 1639 1696 1 1682 1 2327 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1754 1 1 1 2378 2289 1764 1 1 1 1 2210 1 1 1 1 1 1 3086 1930 1489 2164 3188 1 1 1 2503 1 1 1 1 1 1 2290 1488 739.8633 *741.703* 741.703@0.8510514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.703 *741.7181* 741.7181@0.8467163 1 1 1 1 1 1 1 1 1 4671 1 1 1 1 1 5835 1 6198 2748 4742 2734 2704 1 1 1 1 7899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3429 3081 1 1 1 1 1 3008 1 6456 1 1 3908 3264 1 1 1 1 1 1 1 1 1 1 1 1 5950 2154 1 1 1 1858 1 3329 1 5127 1 1 3569 3106 1 1 1 1 1 5479 1 1 1 741.7181 *741.7377* 741.7377@0.84531987 1 7490 1 1 1 1 1 1 1 1 1 1 3604 1 3287 1 1 1 1 1 1 1 1 3062 1 1 1 3394 1 3679 1 3692 1 1 1 1 2904 1 3403 3388 3400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3763 3824 6796 3621 1 1 1 3491 1 1 1 1 1 1 1 1 2961 1 1 1 1 3978 1 1 1 3429 1 1 2819 1 1 1 3241 741.7377 *741.8244* 741.8244@0.8199982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.8244 *741.849* 741.849@0.81433296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 3554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.849 *742.1682* 742.1682@3.4902782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 2232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 742.1682 *743.2128* 743.2128@0.912458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1390 743.2128 *743.7034* 743.7034@0.84945214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.7034 *743.7165* 743.7165@0.8471947 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 5211 1 1 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 4635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.7165 *743.7219* 743.7219@0.8457584 1 1 1 1 1 1 1 1 1 1 1 4171 1 1 1 1 1 1 1 1 6272 2269 1 1 1 1 1 1 1 1 1988 1 1 1 1 1 1 6300 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2398 1 1 1 1 1 1 1 4456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3704 1 1 743.7219 *743.7375* 743.7375@0.8529228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.7375 *743.749* 743.749@0.8300122 1 1 1 1 1 1 1 1 1 1 1 1 1 3028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.749 *743.795* 743.795@0.8262132 4251 1 2216 1 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 1 1851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.795 *744.1984* 744.1984@7.0244904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13957 14710 1 1 1 1 1 1 4089 3694 1 1 1 1 1 1 1 1 1 1 88661 87369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.1984 *744.2063* 744.2063@0.9060122 2075 1974 1 1 1 1 1558 1726 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1855 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2814 2739 744.2063 *745.2796* 745.2796@0.93643594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3883 3475 1 1 1 1 1 1 745.2796 *745.7188* 745.7188@0.8400371 1472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.7188 *745.8612* 745.8612@0.8168825 1 1 1 3867 1 1 1633 1 1 1 1 1 1 1935 1 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 3632 1 1 1 1 1 745.8612 *745.8753* 745.8753@0.8166434 2267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1760 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3646 1 1 1 1 1 1 1 2050 1 1 1 1 1 1 4260 1 1 1 3537 1 1 1 1465 1 1 1 3113 745.8753 *745.8858* 745.8858@0.81604385 1 1 1 1 1 1 1 1 1 1 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.8858 *746.5523* 746.5523@14.882056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 746.5523 *747.7412* 747.7412@0.82798874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.7412 *747.836* 747.836@0.81399834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.836 *747.861* 747.861@0.81665426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1586 1 1 1 1 1 1 1 1 1 3040 1 1 1 1 1 1 1623 1 1 1 1 1681 1 1 1 1 2065 1 1 1 1 1 1 1 1 1 1 1 1861 1 1 1 1 1664 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1767 1 1274 1 1604 1 1 1 1 1 1 1 1 1 1 1 747.861 *747.8674* 747.8674@0.81519604 1 1 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1934 1 747.8674 *747.8743* 747.8743@0.81251496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.8743 *748.0028* 748.0028@0.8180158 1 4033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.0028 *748.0105* C27 H17 Cl N6 O16 S 5459 1 1 1 2492 1 1213 1 1 1653 5733 5208 1709 2273 2121 2368 1542 1419 1251 1410 2491 1 1420 2496 2154 2350 1 1 3008 3634 2279 2683 2699 2653 2428 4050 1 2078 3076 2343 1689 1 2421 1 1 1099 2494 1790 1843 1534 2386 1545 1306 1162 1622 1 1339 1490 2509 1 4705 5113 4414 1 1376 2082 1 1651 1167 1149 1 1 2502 2452 1592 1991 1796 2013 2466 1636 1 1400 2215 2688 1654 1621 1 2868 1790 1745 748.0105 *748.5678* 748.5678@13.321353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 1 1 7734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.5678 *748.5684* 748.5684@13.359317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 3308 1 1 1 1 1 1 4213 1 1 7755 1 1 1 1 1 1 1 5718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.5684 *748.5687* 748.5687@13.007991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.5687 *749.5527* 749.5527@14.22628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12518 10728 749.5527 *749.6755* 749.6755@0.8469411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 749.6755 *749.6872* 749.6872@0.8444995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 749.6872 *749.7397* 749.7397@0.8359796 2461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 749.7397 *749.885* 749.885@0.8135284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1526 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 1 1306 1 2091 1 1 1 1 1 1430 1 1 1974 1 1 1 1 1732 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1633 1 1394 1 1 1 1 1 1398 1 1 1 1 1 2402 1 1 1 1 1 1 749.885 *749.8959* 749.8959@0.812085 1 1521 1 1 1547 1 1 1 1 1 1 1 1331 1 1 1 1 1774 1 1 1 1 1 2125 2087 1 1 1 1783 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 749.8959 *750.2795* 750.2795@8.302364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19891 15499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.2795 *750.2798* 750.2798@8.268486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.2798 *751.5464* 751.5464@14.291385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22605 1 1 1 1 1 1 1 1 1 1 1 1 4184 1 1 1 1 1 1 1 1 1 1 1 1 8955 4402 1 1 1 1 4051 4402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6609 1 1 1 1 1 1 1 1 1 1 1 751.5464 *751.6806* 751.6806@0.8465495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11179 1 1 1 1 1 1 1 1 1 1 6131 4701 1 1 7541 1 1 1 751.6806 *751.7126* 751.7126@0.84608585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.7126 *751.8475* 751.8475@0.81919336 1 1 1 1 1 1 1 1 1 1 1581 1 1918 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 1 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1181 1 1 1 1 1 1 1 1 1566 1 1 1 1 1 2980 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 751.8475 *751.8511* 751.8511@0.8170488 1 1 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.8511 *753.2458* 753.2458@9.397619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4208 1 1 1 1 1 1 1 1 1 1 1 1 5455 5577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9259 9400 5351 5681 1 1 1 1 1 1 1 1 753.2458 *753.6612* 753.6612@0.8569259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1 1 753.6612 *753.6809* 753.6809@0.8459816 1 1 1 1 1 1 1 7274 6307 1 1 1 1 1 6983 1 1 10495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8216 1 1 1 1 1 1 1 1 1 1 7603 7403 1 1 1 1 13212 1 1 4725 1 1 1 1 6103 1 1 1 1 1 1 1 10825 1 7341 1 1 1 1 5095 1 1 7417 1 1 753.6809 *753.6908* 753.6908@0.84567213 1 1 1 1 1 8521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 753.6908 *753.713* 753.713@0.8440256 1 1 1 1 1 1 1 1 1 1 1 6019 1 1 1 1 1 1 1 1 1 1 1 4368 1 1 1 1 1 1 1 1 1 1 4741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 753.713 *753.8218* 753.8218@0.822385 1 1 1 1515 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1641 1 1 1 1 1703 1 1 1 1 1 1 2194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 753.8218 *753.8316* 753.8316@0.82266706 1 1 2456 1 1 1 1 1 1 1 1 1 1 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1054 1 2122 1 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2241 1 1 1 2423 1 1 1 1 1632 1 1 2328 1 1 1 1 1 1 1 1 1 1 1036 1 1 1525 753.8316 *753.8447* 753.8447@0.8184601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3742 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 753.8447 *754.0243* 754.0243@0.82030064 12332 13174 5493 5725 7082 5912 3681 3588 5564 5660 10853 10317 5505 5111 6161 5879 4955 4200 4649 4430 7797 8168 6909 5931 6066 6454 6744 7072 8142 7233 5495 6064 6532 7164 8315 7683 7592 6913 7853 7844 5763 7511 6721 6312 5637 4803 5829 6675 5700 5306 5589 6004 4427 4334 4512 5096 4402 4139 6364 5976 10120 10188 8763 9709 5157 5564 4831 4576 3555 3735 6182 5016 6633 5611 5623 5431 5783 5331 4818 5482 4775 5614 8083 7646 5012 5690 7101 6113 6221 6730 754.0243 *754.0263* 754.0263@0.8851931 4810 4668 3829 3498 4693 4589 3962 1 4659 4756 4409 4356 4222 3693 4001 4249 3454 3646 3582 2673 3966 3085 3748 3923 3415 4218 4230 3835 4686 3933 3932 3976 4040 4719 5105 4112 3377 3527 4224 4563 4393 3157 3700 3891 3893 4388 3556 3630 3289 3326 3941 3691 3682 2942 3103 2832 3519 3184 3687 3144 5352 5016 6161 5758 4490 4155 1 3322 3317 2670 2462 3262 3342 2660 3388 3169 3492 4105 3207 3372 3148 3141 4612 3997 3780 2612 3392 3937 4193 3941 754.0263 *755.6772* 755.6772@0.8456311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 1 1 1 1 1 1 1 4028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 755.6772 *755.6921* 755.6921@0.84675556 1 1 1 1 1 1 1 1 1 1 5068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8733 1 1 1 1 1 1 1 5140 1 1 1 6482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4993 1 6036 1 8763 1 4674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 755.6921 *755.8582* 755.8582@0.8180012 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.8582 *755.8949* 755.8949@0.81634825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 1 1 1 1 1 1 1 1 1 1 1576 1 1 1 1 1 1447 1604 1 1 1 1 1 1 1 1 1 755.8949 *757.6983* 757.6983@0.84893334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 1 1 757.6983 *759.8783* 759.8783@0.8189432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 759.8783 *759.9118* 759.9118@0.80798626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 759.9118 *759.927* 759.927@0.8092385 1 1 1 1 1 1 1 1 1 1 1 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 759.927 *761.6716* 761.6716@0.8400421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.6716 *761.685* 761.685@0.84499305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.685 *761.8517* 761.8517@0.81589717 1 1 1 1 1 1 1 1 1 1159 1 1 4301 2076 1 1 1 1582 1 1881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1 1 1 2506 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.8517 *761.8611* 761.8611@0.8169342 1518 3812 2162 2351 2606 4591 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 1786 1 3906 2394 2642 1 2258 2117 1 1 2897 1 1 1931 1 1 1 1 1 2881 1 2430 1283 2183 1 1 3886 4061 1 3284 1 1 1 1345 1 1 2108 1 1 1 1 3148 2277 1 1838 1700 1 2429 1 1 1428 1 1558 1 2022 1 1904 2965 1774 3379 2710 1757 1 1571 1 1 1 2496 1 1 761.8611 *761.8803* 761.8803@0.8139863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 761.8803 *761.9371* 761.9371@3.8437812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 3343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.9371 *763.5117* GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8873 1 6343 7148 10241 10674 1 1 1 1 1 1 1 4315 1 1 1 1 1 1 10561 10345 6693 13448 1 1 1 1 1 1 8826 4974 13857 4317 1 1 8236 1 1 1 14618 24451 1 1 1 9116 6538 13505 9600 13449 5881 7751 11896 10979 1 1 1 1 5394 6875 1 4724 1 1 1 1 39315 38310 10047 8846 1 1 18218 17375 9922 7264 11019 11138 15255 14929 34948 23496 10847 11510 9348 12350 1 7331 1 1 763.5117 *763.5122* 763.5122@14.581811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4794 1 1 1 1 1 1 1 1 4942 1 8667 1 1 1 1 1 1 4490 1 1 1 1 1 2454 1 1 1 5423 4834 1 1 1 1 1 1 5744 3210 1 4887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6150 1 1 3147 1 1 5677 1 1 763.5122 *763.7142* 763.7142@0.8416323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 763.7142 *763.7244* 763.7244@0.83760935 1 6276 1 1 1 2248 1 1 1 1 1 1 1 1 1 1 1 1 1 3202 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1 2249 1 1 763.7244 *763.8014* 763.8014@0.81602746 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 763.8014 *763.8369* 763.8369@0.8182878 1 1 1 1 1 1 1142 1 1 1 1 1576 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 2420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 763.8369 *763.8511* 763.8511@0.82031626 1848 1 1 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1037 2162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 763.8511 *763.8597* 763.8597@0.81599146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 763.8597 *764.1477* 764.1477@3.487941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3287 3475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 764.1477 *765.5544* 765.5544@14.129729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10632 1 765.5544 *765.6974* 765.6974@0.84798837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3826 1 1 1 1 1 1 765.6974 *765.7031* 765.7031@0.84762543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2023 1 1 1 1 1 1 1 1 1 7218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 765.7031 *765.7293* 765.7293@0.8403929 1 1 3686 1 1 3487 1 1 1 1 1 4966 1 3385 8293 3726 8083 1 3483 1 1 3407 3890 3098 1 1 3582 6700 1 3111 3373 7123 1 3206 1 1 3590 1 3379 3238 1 3129 1 1 3300 7721 3374 1 1 3940 1 1 8674 1 7371 1 1 1 1 2462 1 1 2698 3222 4379 4021 6483 1 3811 1 3064 1 3856 3541 3917 1 1 1 1 1 1665 1 3675 1 1 1 4039 1 1 4726 765.7293 *765.7334* 765.7334@0.8364579 3251 1 1 4693 3815 1 4099 1 3865 1 2980 1 4374 1 1 1 1 6068 1 2356 1 1 1 1 1 3687 1 1 3126 1 1 1 1 1 1 1 1 3327 1 1 1 1 1 3275 1 1 1 1 4179 1 1 1 1 4871 1 1 6132 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 5807 1 1 3793 1 765.7334 *765.9* 765.9@0.81295955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 765.9 *765.913* 765.913@0.8100313 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.913 *767.2645* 767.2645@0.9312455 1 1 1 1 1 1913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2656 1 1 1 1 1 2199 1 3131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 1 1 1 1 1 1 2539 2836 3092 3157 3254 3159 2874 1 1 1 1 2729 1 1 2594 3101 3180 3318 2501 2669 3013 3251 3240 3008 1 1 5414 5375 1 1 2743 2806 1 1 767.2645 *767.543* 767.543@14.147481 1 1 1 1 1 1 13768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14208 1 1 1 1 1 1 1 1 1 6235 5810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8858 1 1 1 1 1 1 1 1 8169 9940 767.543 *767.5436* 767.5436@14.227449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10348 767.5436 *767.7007* 767.7007@0.8485373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.7007 *767.7206* 767.7206@0.8380142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.7206 *767.7261* 767.7261@0.83869255 2403 1 3336 1 5817 3224 3870 3238 3086 3454 1 1 1 1 1 1 1 1 3439 3256 2814 3276 3355 3405 1 1 1 1 1 4586 1 1 7471 1 1 1 1 3199 3372 1 1 1 1 3428 4054 1 3675 3491 1 1 1 3367 1 1 1 3368 1 3030 1 1 1 1 2531 3077 1 1 1 3282 1 1 1 1 1 1 4506 1 3337 1 2943 1 1 1 1 1 1 1 3447 1 3730 1 767.7261 *767.7437* 767.7437@0.8450165 1 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.7437 *767.8206* 767.8206@0.81699985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.8206 *769.6995* 769.6995@0.8444547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.6995 *769.7052* 769.7052@0.84341055 1 1 1 1 1 2445 1 1 1 1 1 1 2683 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2386 1 1 1 2610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.7052 *769.7156* 769.7156@0.83933145 2248 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 2109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2620 1 1 1 1 1 1 1 1 3094 1 1853 1 2669 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2758 1 1 1 1 2873 1 1 1 1 1 1 1 1 1 1 1 1 1786 1 1 1 769.7156 *769.7393* 769.7393@0.82598877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.7393 *769.7712* 769.7712@0.8200063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.7712 *769.789* 769.789@0.82295775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.789 *769.8112* 769.8112@0.81895417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.8112 *769.9839* 769.9839@0.8199994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.9839 *770.003* 770.003@0.82117003 5385 5806 1928 1536 3530 2490 1 1 1882 1507 5745 5499 1 1638 1 2106 1827 1 1 1 1 2319 2038 2731 1 1733 1 1795 2142 3519 1653 1 4208 2634 1 3315 1986 1 3082 2959 1884 1 2136 1 1951 1292 2128 1761 1 1243 1384 1 1 1 1559 1737 1274 1 1934 1 5119 4711 3907 3000 1685 1562 1 1379 1 1 2130 2022 2479 1826 2180 1169 3105 1 1 1483 1 1853 2811 1 1 1 2486 2500 1818 1581 770.003 *771.8436* 771.8436@0.817011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.8436 *771.8604* 771.8604@0.81497157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 771.8604 *771.8706* 771.8706@0.8152334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1 771.8706 *771.8874* 771.8874@0.8143469 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1771 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1504 1 1 1500 1 1 1 1 1 1 1 1 1 1556 1 1 1488 1 1 1 1 1 1 1 1 1 1 1 1 771.8874 *773.6776* 773.6776@0.84392804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 773.6776 *773.7225* 773.7225@0.83700097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 773.7225 *773.7327* 773.7327@0.83100396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 773.7327 *773.8223* 773.8223@0.8180272 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 773.8223 *775.5399* 775.5399@13.573314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15135 1 1 775.5399 *775.7089* 775.7089@0.83302826 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.7089 *775.7241* 775.7241@0.8366634 2422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2464 1 1 775.7241 *775.7682* 775.7682@0.819001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.7682 *775.9007* 775.9007@0.81392837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.9007 *777.5485* 777.5485@14.4636965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10821 1 1 1 1 1 1 1 1 34049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4945 1 777.5485 *777.5501* 777.5501@14.410352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11405 1 777.5501 *777.6411* 777.6411@0.8439439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3150 1 1 1 1 1 1 1 1 1 1 1 777.6411 *777.6803* 777.6803@0.8400041 1 1 1 1 1 1 1 1 1 1 1 1 9102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4423 1 1 1 5326 1 1 1 1 1 1 3564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.6803 *777.6814* 777.6814@0.8419264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.6814 *777.6954* 777.6954@0.84062546 1 1 1 1 1 1 1 1 1 1 4692 1 1 1 1 1 1 1 1 6237 4463 4272 4394 1 1 1 1 1 1 1 1 3930 1 1 6948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.6954 *777.7259* 777.7259@0.84401643 1 5186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.7259 *777.8265* 777.8265@0.8124931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.8265 *777.8465* 777.8465@0.8169566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1188 1021 1 1 1 1 1216 1 1 1 1 1 1 1 777.8465 *778.0816* 778.0816@5.426723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 778.0816 *778.5506* 778.5506@14.502962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 778.5506 *779.6942* 779.6942@0.8424884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5571 1 1 1 1 1 1 1 1 1 1 4560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.6942 *779.6986* 779.6986@0.8407157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6855 1 1 1 1 1 1 1 1 1 1 7422 5494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.6986 *779.7101* 779.7101@0.8417626 1 1 1 1 2373 1 8420 2483 1 2738 1 1 1 1 1 1 1 2643 1 1 2465 1 2790 2779 1 1 1 13492 3255 1 1 1 2836 1 1 1 1 1 1 1 2653 3195 2647 1 13027 2542 1 1 3177 1 1 2610 1 1 1 2571 1 1 2775 1 2487 1 3125 13550 1 1 8058 1 1 1 1 1 2799 2938 1 1 2316 1 1 1 2894 1 2393 2369 1 1 1 1 1 2864 779.7101 *779.7226* 779.7226@0.83772284 2193 1 7601 2772 1 1 1 1 1 1 1 1 1 1 1 9841 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1943 1 1 1 1 1 10029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8820 1 1946 1 1 1 1 1 1 1 1 1 1 1 3216 1 1 3032 1 1 1 1 1 779.7226 *781.5591* 781.5591@14.091498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 781.5591 *781.7146* 781.7146@0.8413574 3976 9439 1 4216 14762 14593 1 10289 4861 10670 3935 1 10552 4888 1 1 1 1 9500 4256 5579 9509 4374 4555 10721 1 10218 1 5827 10516 4295 4187 9894 12639 5451 1 1 9998 4602 9626 10932 1 4280 4538 1 10646 10985 4538 4289 5228 5048 10369 10248 14426 4807 13694 10598 12929 1 4884 4433 4651 13066 1 4959 1 1 1 4725 4769 4085 4137 9135 4658 10314 13498 4456 4514 4489 10001 1 12369 1 4723 10528 4712 4802 10823 12093 10138 781.7146 *783.7152* 783.7152@0.8424533 7780 1 4361 1 1 1 4204 1 4949 1 6648 1 1 1 4577 4824 4467 7805 1 8243 5269 1 8561 4221 1 4668 1 1 4349 1 8982 1 1 1 7846 4279 4500 1 4711 1 1 1 8438 4291 1 1 1 1 4904 5205 4308 1 1 1 4177 1 1 1 1 4750 3758 1 1 1 4775 1 10899 1 4591 1 8207 3761 1 5568 1 1 1 4557 4606 1 4766 1 1 1 1 5031 8700 1 1 1 783.7152 *784.1363* 784.1363@7.026646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7091 7113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16241 15469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.1363 *785.7001* 785.7001@0.849755 1 1 1 1 1 1 4670 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2548 2323 1 1 4880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1 1 1 1 1 1 1 1 1 1 2705 1 1 1 1 1 1 1 1 1 2346 2358 1 1 1 1 1 1 2541 1 1 1 1 2835 2364 1 1 2295 1 785.7001 *785.7052* 785.7052@0.84249336 1 1 3063 1 1 1 1 2985 1 3722 1 1 2572 1 1 3540 1 1 3388 1 2861 1 1 1 1 1 2160 1 2820 2620 1 1 3363 3035 1 2903 3023 2656 2970 3184 1 3017 1 2540 3752 3028 3375 3696 3587 3118 1 3544 2887 1 2969 1 3352 1 1 5070 2390 1 3590 3642 3710 1 1 1 1 1 1 1 1 3349 2887 1 1 1 1 1 1 1 1 2859 1 1 1 3580 1 1 785.7052 *785.7282* 785.7282@0.83793604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 785.7282 *787.0792* 787.0792@5.4483814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6993 7028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.0792 *787.6894* 787.6894@0.8400715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 3350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.6894 *787.7032* 787.7032@0.8430164 1 3729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.7032 *787.7625* 787.7625@0.8230278 1 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.7625 *787.8369* 787.8369@0.81499285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.8369 *789.717* 789.717@0.8330123 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 789.717 *789.7668* 789.7668@0.82651544 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 789.7668 *789.7951* 789.7951@0.8209623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 789.7951 *789.9774* 789.9774@0.8159726 1 3213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2038 1 1 1 789.9774 *789.9844* 789.9844@0.81637913 1 1 1 1 1499 1328 1 1 1 1 1 2266 1 1 1810 1 1 1 1 1 1472 1 1 1 1 1275 2008 1364 1 1 1208 1 1766 2212 1397 1 1793 1 1613 1 1 2001 1 1 1 1 1 1 1478 1 1413 1500 1 1 1 1 1 1 1 1255 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1644 1 1 1 1 1 1633 1968 1 1305 1 1455 1 1 789.9844 *791.6948* 791.6948@0.84267014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2698 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1706 1 1 1 1 1 1 1 1 1 1 791.6948 *791.7163* 791.7163@0.83734256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 2395 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.7163 *791.7282* 791.7282@0.836245 1 3001 2405 1 1 1 1 1 1 1 1 1 1 1 2571 2287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 2288 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 2229 1 1 1 1 1 3096 1 1 2148 1 1 791.7282 *791.7421* 791.7421@0.82801545 1 1 1 1 1 1912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.7421 *793.6618* 793.6618@0.84895563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.6618 *793.6937* 793.6937@0.84098536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.6937 *793.7195* 793.7195@0.8350022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.7195 *793.7304* 793.7304@0.8324996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.7304 *793.7423* 793.7423@0.8350277 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.7423 *793.7973* 793.7973@0.8185196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4337 1 1 1 3832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.7973 *793.8263* 793.8263@0.8147515 1 1 1 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1 1 1 1 793.8263 *793.8361* 793.8361@0.8179692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3459 1 1 1 1 1 1 1 1 1 1 1 1 1 793.8361 *794.1607* 794.1607@5.1455593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10433 9901 1 1 1 1 794.1607 *795.6626* 795.6626@0.8454639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6443 22138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5899 1 1 1 1 1 1 1 1 7380 1 1 795.6626 *795.6805* 795.6805@0.84451497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.6805 *795.6934* 795.6934@0.8450165 1 9333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.6934 *795.7023* 795.7023@0.84240055 1 1 1 1 1 1 1 1 1 1 1 6973 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2326 1 1 1 1 1 1 1 1 2202 1896 1 1 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 795.7023 *795.7168* 795.7168@0.8370022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.7168 *795.7298* 795.7298@0.8335127 1936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.7298 *795.7924* 795.7924@0.8221382 1 1 3345 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2433 3368 1 1 1 1 1 1 1 1 1 1 1 1 3572 1 1 1 1 1 1 1 1 1 1629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.7924 *795.7979* 795.7979@0.8178134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 2827 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3337 1 1 1 3261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.7979 *795.812* 795.812@0.81977296 3367 1 1 3093 1 1 1 1 1 1 1 3383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.812 *796.0091* 796.0091@0.8207115 1 1 5975 6371 1 1 4643 1 5094 1 1 5986 1 1 1 7408 5365 1 1 4932 1 7134 1 5611 1 1 1 1 1 1 5213 1 1 6249 1 1 1 5916 8187 1 1 1 1 1 5251 5958 1 1 5325 1 1 5455 1 1 1 1 1 1 5143 5317 1 1 6311 1 5182 1 1 4272 4317 1 1 5104 1 1 5037 1 1 1 4829 1 1 5466 1 1 1 1 5796 1 1 1 796.0091 *796.2381* 796.2381@6.62929 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.2381 *797.6773* 797.6773@0.8444991 1 1 1 1 1 1 8267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 797.6773 *797.6889* 797.6889@0.8444551 8484 1 10662 6678 3266 3203 1 2720 3469 8340 3015 1 1 7469 3008 3054 4447 3289 7486 6838 2950 1 3147 3240 2675 1 10847 3251 3497 3591 8865 7824 3450 3494 8924 1 4006 3473 3303 3856 11613 7438 1 1 3078 1 3205 8584 1 1 1 2639 3222 6407 6699 2958 3117 3226 7935 8787 3130 1 7670 8604 3138 1 2799 1 6184 2787 6211 1 3553 7436 6516 6754 3455 2742 3258 3535 6985 6875 1 1 1 9028 1 3701 3563 7289 797.6889 *797.7947* 797.7947@0.82302964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 797.7947 *797.8082* 797.8082@0.82070845 1 1 1 1 1 1 1193 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 797.8082 *797.8152* 797.8152@0.8191783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1385 1 1 1 1 1 1 1 1949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1554 1 1 1 1 1 797.8152 *797.8399* 797.8399@0.8199605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 1 1 1 1 2255 1 797.8399 *798.0079* 798.0079@0.82091045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1 1 798.0079 *799.6821* 799.6821@0.8467556 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 1 1 1 1 1 2697 1 1 1 1 1874 1 1 1 1 1 1 1 1 1 3408 6737 1 1 1 2706 2613 1 1 2915 1 1 1 1 2605 1 1 1 1 1 3347 1 1 1 1 1 1 1 3439 2832 1 1 1 1 1 1 1 1 1 1 1 5850 1 1 1 1 1 1 1 1 1 1 1 799.6821 *799.689* 799.689@0.8442942 1 1 1 1 7107 1 1 1 1 1 3075 1 1 1 1 4428 1 1 1 1 3858 2503 1 3213 5821 6109 1 1 5967 6905 1 1 6799 3331 1 3616 1 1 1 3435 1 1 1 1 1 1 1 1 1 1 3125 1 4193 1 1 1 1 1 1 1 3862 1 1 1 1 1 1 1 1 1 1 1 3274 1 1 1 3217 1 1 1 1 1 3049 3225 1 1 3364 1 2973 1 799.689 *799.9812* 799.9812@0.81402355 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 799.9812 *801.5474* 801.5474@13.602914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.5474 *801.5476* 801.5476@14.450448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22094 1 1 801.5476 *801.6811* 801.6811@0.8409982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.6811 *801.6963* 801.6963@0.84556085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 2782 1 3379 1 1 1 1 1 2163 1 1 1 1 1 1 2057 1 1 1 2249 1 1 1 1 1 2165 1 3141 1 1 1 1 2135 1 1 801.6963 *801.7019* 801.7019@0.83882713 1 1 1 1 1 1 1 3452 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 2245 1 1 1 1 1 1 1 1 1 1 2046 1 1 1 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2534 1 1 1 1 1 1 801.7019 *801.7121* 801.7121@0.837507 1 1 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.7121 *801.717* 801.717@0.8383514 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.717 *801.7444* 801.7444@0.8329257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.7444 *802.2289* 802.2289@8.392291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4047 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5269 5303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7577 7162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 802.2289 *802.5572* 802.5572@14.446715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 802.5572 *803.1326* 803.1326@4.782606 1 1 1 1 1 1 3932 3835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.1326 *803.5627* 803.5627@12.40942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.5627 *803.5636* 803.5636@13.345423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3968 1 1 1 1 1 1 1 1 1 1 1 1 1 803.5636 *803.5647* 803.5647@14.83192 1 1 1 1 1 1 1 1 1 1 229627 1 136828 1 1 1 1 1 1 1 1 137973 220191 1026285 1 1 1 1 1 1 1 1 1 1 609176 1 1 1 1 498964 1 1 1 1 1 1 1 1 1 1 1 872631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1511969 1 1 1 1 1 1 1 1 1317417 1 1 1 1 1 1 1 1 803.5647 *803.6697* 803.6697@0.83849895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3126 1 1 1 1 1 1 1 1 1 1 1 1 1 4788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.6697 *803.7373* 803.7373@0.8340162 1 1856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.7373 *803.7859* 803.7859@0.8227149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 803.7859 *803.8195* 803.8195@0.81601197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.8195 *803.8377* 803.8377@0.81701344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 3909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.8377 *803.8506* 803.8506@0.8140292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.8506 *803.9015* 803.9015@14.585358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7495 1 1 803.9015 *804.5669* 804.5669@14.839942 1 203935 1 1 1 1 1 1 1 1 54444 82425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39071 1 1 1 1 1 1 39703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141068 1 1 1 1 1 1 1 1 1 1 1 804.5669 *804.568* 804.568@14.676367 1 1 1 1 1 1 1 1 1 1 6333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 804.568 *805.5717* 805.5717@14.798939 1 1 18710 11987 16942 1 17971 1 1 1 16832 1 1 1 1 1 4354 1 1 1 1 1 15177 1 1 11264 1 1 1 7928 1 1 6949 1 1 1 1 1 1 1 1 1 1 1 40317 25992 1 1 46618 1 44910 1 1 1 1 1 1 30037 28547 12979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47216 1 1 1 31438 6508 1 1 39110 1 1 1 53981 1 1 1 805.5717 *805.5719* 805.5719@14.826549 26770 1 1 1 1 1 1 1 1 1 1 1 1 1 36423 34367 22773 1 1 1 1 15157 1 44321 25543 1 1 1 1 7883 27306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.5719 *805.5783* 805.5783@13.099485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.5783 *805.5795* 805.5795@13.364429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.5795 *805.6925* 805.6925@0.83800095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.6925 *805.8123* 805.8123@0.81702036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.8123 *805.8206* 805.8206@0.8200021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.8206 *805.9519* 805.9519@0.8209274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.9519 *805.9661* 805.9661@0.81793725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.9661 *805.9723* 805.9723@0.8154076 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 1 1243 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.9723 *805.989* 805.989@0.8145129 1665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.989 *806.2596* 806.2596@8.388256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3716 3616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.2596 *806.5822* 806.5822@14.817773 1 1 1 1 1 1 1 1 5786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7690 3908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34453 1 1 1 25609 1 1 10870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 2955 1 1 1 1 1 1 1 1 1 11371 1 1 1 806.5822 *806.5901* 806.5901@14.728605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.5901 *806.6074* 806.6074@14.13767 1 8167 1 1 6362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6125 5168 806.6074 *806.6083* 806.6083@14.248866 1 1 1 1 6907 7144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7143 1 8216 1 1 1 1 1 1 1 5465 1 1 8272 7808 1 1 1 1 1 7484 1 1 1 1 1 1 1 4480 1 1 1 1 1 1 1 1 1 1 1 1 1 5934 1 1 1 1 1 1 1 1 8665 10178 806.6083 *806.988* 806.988@10.3698845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.988 *806.9881* 806.9881@3.274297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9881 *806.9883* 806.9883@6.8730907 1 1 1 1 1 1 1 1 1 1 1 1 5090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9883 *806.9884* 806.9884@14.619979 1 1 6917 1 1 1 1 1 1 1 6480 1 1 1 1 1 1 1 1 1 4790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9884 *806.9885* 806.9885@4.522989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9885 *806.9887* 806.9887@13.331554 1 7063 1 1 1 7523 1 1 1 1 1 1 1 7367 1 3418 1 7842 11350 1 1 1 6984 1 1 5412 1 1 1 23855 7347 1 1 1 1 6392 1 1 12549 1 5773 7298 1 1 6407 3850 1 1 1 7328 1 1 1 7916 7196 8630 1 1 4060 1 1 9321 1 8562 8506 1 1 1 1 1 1 1 1 5769 1 1 1 6660 7431 6259 8912 1 1 1 1 1 1 1 1 7533 806.9887 *806.9887* 806.9887@14.108252 1 4300 7453 1 1 7225 10107 5069 1 1 24714 7097 8122 1 1 4213 1 7410 1 1 9512 1 1 1 1 1 1 1 6661 5063 1 1 1 1 1 1 5306 10619 1 1 6723 9355 1 1 1 1 1 9033 1 1 1 8739 9873 1 5505 1 1 1 5035 1 6280 1 4265 1 1 1 1 1 1 8297 1 1 1 1 9316 1 7170 3530 4116 1 1 1 1 1 1 1 21842 1 1 1 806.9887 *806.9887* 806.9887@8.945339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3625 1 8159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5559 1 1 1 1 1 1 1 1 1 1 1 1 1 6144 1 1 1 1 1 5521 1 1 1 1 1 1 1 1 1 5474 1 1 1 1 1 1 806.9887 *806.9887* 806.9887@1.210639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9887 *806.9888* 806.9888@14.712164 1 5586 4440 1 1 1 6102 5425 5578 11123 18699 1 1 1 1 5320 1 1 1 1 5408 1 5085 5920 1 1 1 1 1 4847 1 1 1 1 1 1 1 1 23905 1 1 4356 1 6208 1 1 1 1 1 1 1 2895 1 1 1 1 8031 1 10262 3575 1 7147 5710 1 1 1 1 17129 1 4545 1 1 1 1 1 1 6767 1 6452 1 1 1 9203 1 1 1 5362 1 1 1 806.9888 *806.989* 806.989@12.657209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.989 *806.9893* 806.9893@0.7190407 1 1 1 9645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9893 *806.9894* 806.9894@2.7581677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6704 1 1 1 1 4622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9894 *806.9895* 806.9895@12.027549 1 1 1 7004 1 1 1 1 1 1 6695 1 1 5591 1 1 1 1 1 1 1 1 1 10431 1 1 6262 1 1 1 1 1 1 5794 1 6953 1 6525 1 5374 1 1 5389 1 1 1 1 1 4841 1 6604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7392 1 1 1 1 1 1 1 1 1 1 5217 3215 1 1 1 1 1 5470 1 1 806.9895 *806.9896* 806.9896@3.97522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4272 1 4911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9896 *806.9896* 806.9896@7.9724684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6056 1 1 1 1 1 1 1 1 1 1 1 6698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9896 *806.9897* 806.9897@0.78157425 1 4010 1 5898 1 1 1 1 1 1 1 4227 1 1 1 1 1 3955 1 1 1 1 1 1 1 1 1 3329 1 1 1 1 4392 1 1 1 1 1 6956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5028 1 1 1 1 1 1 1 1 1 1 1 4325 1 4742 1 5049 1 1 1 5182 1 1 1 1 1 1 1 806.9897 *806.9897* 806.9897@5.5898347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6417 1 1 1 1 1 1 1 1 806.9897 *806.9897* 806.9897@5.0698166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.9897 *806.99* 806.99@13.76786 1 3940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.99 *806.9901* 806.9901@1.8908386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3518 1 1 1 1 806.9901 *807.5902* 807.5902@14.834238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6140 1 1 1 1 1 1 1 1 1 1 11167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.5902 *807.5915* 807.5915@14.665707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.5915 *807.6553* 807.6553@0.8439965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9076 1 1 1 1 1 1 10616 1 1 1 1 1 1 1 1 1 1 7914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.6553 *807.8335* 807.8335@0.819633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.8335 *807.9636* 807.9636@0.8229271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.9636 *807.9903* 807.9903@13.554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 807.9903 *808.0717* 808.0717@4.800639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3516 1 1 1 1 1 1 3341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3605 1 1 1 1 808.0717 *808.0783* 808.0783@4.7956066 1 1 1 1 1 1 8554 8745 1 1 2155 1994 1 1 1 1 1 1 4704 3936 1 1 1 1 3858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3603 3604 1 1 1 1 5234 4570 1 1 1 1 2982 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3007 1 6047 5945 1 1 808.0783 *808.2211* 808.2211@7.7037296 2569 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5575 5134 1 1 4518 4723 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 1 1 3792 4190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2866 2705 1 1 1 1 1 1 1 1 1 1 808.2211 *809.6406* 809.6406@0.84595096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12874 1 1 1 1 1 1 1 1 1 1 3530 1 1 1 809.6406 *809.6992* 809.6992@0.8460165 1 3821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.6992 *809.7811* 809.7811@0.8210068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.7811 *809.8057* 809.8057@0.8234526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 809.8057 *809.8277* 809.8277@0.8170271 1 1 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.8277 *811.5673* 811.5673@14.84999 1 1 1 1 1 1 1 7225 14490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7980 1 1 1 1 1 1 6194 1 15144 1 32275 1 1 1 1 1 1 1 1 1 25936 18919 15703 20680 27809 1 1 1 1 1 1 1 1 1 1 20946 6854 1 26107 1 1 1 1 28172 1 6859 1 19841 17046 1 18634 7918 1 1 1 5024 1 9969 16053 1 1 15705 1 1 1 1 811.5673 *811.5674* 811.5674@14.780154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4030 1 1 1 1 1 1 1 1 6311 1 1 1 1 1 1 1 1 811.5674 *811.6239* 811.6239@0.8469691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.6239 *811.6424* 811.6424@0.8430023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.6424 *811.6791* 811.6791@0.84304595 1 1 1 1 1 1 1 1 1 1 4063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.6791 *811.6952* 811.6952@0.8360326 1 1 1 1 1 1 1 1 1 1829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.6952 *811.7764* 811.7764@0.82903564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.7764 *811.7959* 811.7959@0.8243955 1 1 1 1 1 1364 1 1 1138 3199 2443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2608 1 1 1 1 1681 1 1 1 1 1 1 1711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1762 1814 1 1 1658 1 1 1 1 1 1 1 1 811.7959 *811.8011* 811.8011@0.82201517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 3811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.8011 *811.9694* 811.9694@0.8231491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4044 1 1 1 3966 5282 3706 1 1 1 1 1 1 4925 811.9694 *811.9832* 811.9832@0.8220629 10588 10128 5154 7025 6167 1 2345 4258 2982 3180 8715 7261 4892 5985 7888 5257 4983 5357 3485 3696 2690 3356 4074 5571 5236 6579 5436 6297 5860 7524 6391 5032 5732 4699 6294 8211 6903 5776 4952 6243 4987 7416 6845 4512 4417 4398 5844 5948 4468 4621 3054 5386 4530 4337 3744 4167 4875 2478 5304 5589 6873 8640 6970 8197 4906 5063 4414 4638 4716 3773 6477 5514 2395 5545 5456 3617 1 4857 2463 6948 1 1 1 6191 4649 4056 5756 3459 4900 1 811.9832 *813.0433* 813.0433@4.7993317 1 2766 1 1 3899 4717 8151 8508 4143 4575 5645 5445 2735 1 1841 1 2462 2405 5811 5350 3182 1 1 1 5714 5602 1 1 1 1 1 1 5222 5148 3196 2962 1 1 1 1 1 1 1 1 5837 5375 1 1 1 1 6575 6277 1 1 1 1 5281 5507 1 1 1 1 1 1 1 1 4527 4251 1 1 2378 1 1 1 1 1 4219 4103 3083 3712 1 1 1 1 5482 5583 8315 7650 1 1 813.0433 *813.6322* 813.6322@0.84801275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.6322 *813.645* 813.645@0.8455323 1 1 1 1 1 1 1 1 8628 1 1 1 1 1 1 1 1 10147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.645 *813.6543* 813.6543@0.8464891 1 1 1 6727 1 1 1 1 1 1 1 6183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12319 3854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4811 1 1 2485 4224 1 1 1 1 1 1 1 1 1 1 1 3354 1 1 1 1 1 1 1 1 1 5383 1 1 1 813.6543 *813.675* 813.675@0.8410202 4731 1 1 1 1 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.675 *813.7899* 813.7899@0.8289686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 813.7899 *813.8255* 813.8255@0.8179679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.8255 *813.9102* 813.9102@0.8140486 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.9102 *813.9235* 813.9235@0.8189371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.9235 *813.9846* 813.9846@0.82273304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1908 1 1 1 1 1 1 1 1 1 1 1 1 2068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1 1 1 813.9846 *815.674* 815.674@0.8424021 1 1 1 1 1 1 1 1 1 1 2376 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 3452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.674 *815.8536* 815.8536@0.8179732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.8536 *817.7292* 817.7292@0.82299113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 817.7292 *817.8708* 817.8708@0.8159692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 817.8708 *817.9989* 817.9989@4.802401 6018 5783 2374 1 6836 7119 1850 5317 7338 7184 4807 7555 5758 5702 5706 5849 6291 6271 8137 8509 6351 5938 5450 5216 7381 7703 5518 5735 5500 5496 5503 5498 7999 7771 6662 6213 4212 4546 4170 4149 1 1 4942 4826 8442 8244 1 1 4917 4439 9128 8396 1 1 4794 5420 8569 8821 1 1 1 1 1 1 5599 5515 7856 7836 3443 3626 6058 6263 3826 3631 1 1 7977 8085 7627 7367 3813 3692 1 1 9312 8609 8846 10056 1 1 817.9989 *818.0003* 818.0003@4.782612 1 1 1 1 1 1 6066 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818.0003 *818.1234* 818.1234@5.1420617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4309 4113 1 1 1 1 818.1234 *819.6457* 819.6457@0.8470145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.6457 *819.6632* 819.6632@0.8405137 1 1 1 1 1 4008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.6632 *819.7875* 819.7875@0.8215016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.7875 *819.8109* 819.8109@0.81874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3255 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 819.8109 *819.8221* 819.8221@0.8198993 1 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1772 1 1 1 1 1 1 1 3481 1 1 1 2988 1324 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3923 1 1 2099 1 1 1 1 1 1 1 3585 1 1 1 1 1 1 2662 1 1 1 819.8221 *819.8308* 819.8308@0.8189908 1 2389 1 1 1 1 1 1 1 1801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 1 1549 1 1 1 1 3702 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 819.8308 *821.6747* 821.6747@0.84296244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9939 1 1 4970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.6747 *821.6889* 821.6889@0.8381153 6117 1 1 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 5460 1 1 1 1 1 1 1 1 1 5852 1 1673 1 1 1 1 1 1 1 1 1 2214 9815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.6889 *821.7153* 821.7153@0.83904564 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.7153 *821.8147* 821.8147@0.8203423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2194 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.8147 *821.8315* 821.8315@0.819957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 1 1 1 1 1 821.8315 *821.857* 821.857@0.8120023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.857 *821.8952* 821.8952@4.849782 1 1 1 1 1831 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.8952 *821.9661* 821.9661@0.8110156 1 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.9661 *821.9792* 821.9792@0.8110234 3016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.9792 *823.6711* 823.6711@0.84094155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7027 1 1 1 1 1 1 1 1 1 823.6711 *823.6878* 823.6878@0.84113705 1 1 3235 1 1 6898 3402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2604 3266 1 1 1 1 1 1 1 3072 1 2885 3419 1 1 7065 1 3054 1 1 1 1 3527 1 1 1 1 1 1 1 2900 1 1 1 1 1 1 2419 1 1 3058 1 3692 1 1 2610 1 1 1 4092 1 1 1 2312 5912 1 1 2256 1 1 1 1 1 1 1 1 823.6878 *823.6896* 823.6896@0.8395386 1 7518 1 6263 1 1 1 3304 1 7391 1 1977 1 1 3421 3600 11480 6663 3333 1 1 1 1 3278 1 1 2049 1 1 3295 3020 1 2546 1 1 1 1 3232 1 1 1 1 6974 1 1 1 1 3287 3992 3817 6646 1 3378 1 1 1 2074 1 2909 3234 1 1 7212 3079 1 1 1 1 1 1 2791 1 5518 1 1 3649 2832 1 1 6180 1 1 1 1 1 7561 3285 1 1 3887 823.6896 *823.8635* 823.8635@0.81349784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1330 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.8635 *823.8928* 823.8928@0.81792784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.8928 *825.5474* 825.5474@13.693851 1 1 1 1 1 1 1 1 3495 11670 3455 1 1 1 1 31251 1 1 1 1 50705 1 1 24613 1 1 9070 22271 1 1985 1 1 1 1 1 1 1 1 6318 1 1 1 1 1 1 22670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 825.5474 *825.5475* 825.5475@13.612054 11406 1 62337 1 1 1 1 1 5013 4622 2432 1 1 1 1 1 1 1 1 1 1 1 1 15173 1 1 8117 1 1 2256 10467 1 1 36817 1 38904 18869 1 13277 17059 10800 1 1 1 60117 2787 1 1 65243 1 1 8554 1 1 1 1 17302 1 18060 19404 11462 1 1 1 1 1 1 1 1 6699 12519 1 1 1 1 34252 1 6804 1 10346 1 1 1 33520 24557 1 1 16685 1 1 825.5475 *825.5499* 825.5499@14.666424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12116 1 1 1 1 825.5499 *825.6692* 825.6692@0.8523099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 1 1 1 1 1 1 1356 1 825.6692 *825.6863* 825.6863@0.84640604 1 1 1 1 1 1 1 1 4757 1 1 1 1 1 1 1 1 1 1 1 1 1 8002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 3347 1 1 1 1 1 1 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 6169 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 825.6863 *825.6917* 825.6917@0.84190315 2197 1 1 1 2997 1 1181 2960 1 1 2411 6680 1 3257 3056 3793 1 1 3457 3443 3147 3244 1 3360 3858 3566 1 1 6450 3306 2921 2863 3226 3063 1 2775 3836 6976 3368 1 3120 6591 1 1 1 4095 1 1 1287 3788 1 1 1 1 1 3242 1 1 1 1 1 1 1 3778 3524 3372 2108 6610 1 4046 1 2847 1 1 1 1 3074 3237 1 1 1 1 1 3328 1 1 1 1 1 5423 825.6917 *826.1497* 826.1497@5.227758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 1 1 826.1497 *826.1517* 826.1517@5.268979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3317 3117 1 1 1 1 826.1517 *826.5495* 826.5495@13.602334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3666 1 1 1 1 1 1 5122 1 1 1 1 1 1 1 1 1 1 1 1 1 5484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 826.5495 *827.5627* 827.5627@13.917501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75097 1 1 1 1 1 1 1 1 1 1 6086 1 1 3720 1 1 1 1 4153 1 1 1 1 1 1 1 1 1 1 1 1 21781 1 1 1 1 1 1 1 1 1 1 1 38589 1 1 1 15631 1 1 1 1 1 1 1 1 1 1 1 1 10054 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5627 *827.5628* 827.5628@14.413564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5628 *827.5629* 827.5629@14.239477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 15211 1 1 1 1 1 1 1 1 1 1 1 1 33850 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5629 *827.5636* 827.5636@14.064243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27561 1 1 1 27926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5636 *827.6384* 827.6384@0.84299064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.6384 *827.6581* 827.6581@0.84596896 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.6581 *827.6716* 827.6716@0.8445125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.6716 *827.6852* 827.6852@0.8417257 1 1 2801 2915 2513 1 1 1 1 1 1 1 1 1 1 4402 1 1 2714 1 1 1 1 1 1 2087 2950 4917 1 1 1 1 5048 3232 2745 1 1 1 1 2658 1 1 1 3056 1 1 1 1 1 1 1 1 1 1 1 1 1 2453 1 1 1 1 1 1 4080 1 1 1 4783 1 1 1556 2877 1 1 1 2579 1 1 1 1 1 1 1 1814 2691 2067 1 1 1 827.6852 *827.6941* 827.6941@0.8415131 1 2065 1 1 1 2161 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.6941 *827.7508* 827.7508@0.82896143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.7508 *827.7654* 827.7654@0.82099235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.7654 *827.9039* 827.9039@0.8159346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.9039 *827.9145* 827.9145@0.8169314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.9145 *827.9391* 827.9391@0.8166554 1 3078 1833 2032 3107 2271 1 1 1 1 1 1 2081 1 1 3206 1 1 1 1 4310 4411 1 1 1 1 3143 1 4043 2780 1 1 2697 1 3290 1 1 2311 1 4070 1 3513 2245 1 1 1 3296 1 1 1 1 2909 1 1 1 1 1 1 1 1 3005 5973 4688 4813 1 1988 1 1 1 1 1 1 1 2682 1 1 1 1 1 2254 1 1 2955 1 1 1 1 3954 2315 1 827.9391 *827.9426* 827.9426@0.82202387 4510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.9426 *827.9567* 827.9567@0.82539195 1 1 1 1 1 1 1 1 1 1 3630 2438 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2437 1 1 1 827.9567 *828.5668* 828.5668@13.73276 1 1 1 1 1 1 73252 1 1 1 1 1 1 26193 1 28440 1 1 1 1 1 1 1 25858 1 1 1 1 1 1 1 1 1 1 15779 1 10024 1 1 7626 1 1 1 1 1 1 1 5515 1 1 1 1 1 1 1 1 1 1 1 114961 1 1 1 128047 1 1 1 1 1 1 1 1 1 1 1 1 55820 1 1 1 1 1 1 1 1 1 1 1 1 1 828.5668 *828.567* 828.567@13.777777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7188 1 1 1 1 1 1 1 1 1 1 1 1 1 828.567 *828.567* 828.567@13.876975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7576 1 1 1 1 1 1 1 1 1 1 1 1 1 828.567 *829.5761* 829.5761@13.674475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3206 1 1 1 1 1 1 1 15308 1 1 6781 1 1 1 1 1 1 1 2343 1 11652 1 1 1 1 1 1 1 1 1 1 17719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4302 1 1 1 1 1 1 1 1 1 1 1 1 11281 1 1 1 1 1 1 1 1 1 1 1 1 1 829.5761 *829.5763* 829.5763@14.824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.5763 *829.5763* 829.5763@13.626844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8154 1 1 1 1 1 1 1 33732 1 6499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11540 1 1 1 1 1 1 1 1 1 1 1 1 19674 1 1 1 1 1 1 1 1 1 1 1 1 1 829.5763 *829.578* 829.578@14.524063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 1 1 1 8200 1 1 7956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 1 1 34985 1 1 1 1 1 1 1 1 1 1 1 14813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.578 *829.5782* 829.5782@14.804856 1 1 9896 1 1 1 1 1 1 1 27767 1 1 1 13634 1 18963 1 1 1 1 1 1 20494 1 1 8996 1 1 4242 20355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25410 1 1 1 1 1 55880 1 1 1 14913 1 25774 1 1 1 1 1 1 1 1 829.5782 *829.5785* 829.5785@14.872967 1 1 1 1 1 32331 30554 1 1 1 1 1 22293 16933 1 1 1 31051 37485 1 1 21790 14779 1 1 1 1 1 1 7453 1 1 1 1 1 1 7472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.5785 *829.579* 829.579@14.789184 1 1 1 1 7047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9224 1 1 1 1 16704 1 1 1 7714 1 1 12763 1 35386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3006 1 20310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.579 *829.5795* 829.5795@14.91252 1 1 1 1 1 1 1 1 1 1 14998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.5795 *829.8256* 829.8256@0.81994414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.8256 *829.8365* 829.8365@0.81696784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 2545 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 829.8365 *829.8602* 829.8602@0.8179546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.8602 *829.8837* 829.8837@0.817974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.8837 *829.928* 829.928@0.8185197 2220 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 829.928 *829.9656* 829.9656@0.8174716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 829.9656 *830.2042* 830.2042@7.703765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3982 3809 1 1 3365 3774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3291 3246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2440 1 1 1 1 1 1 1 1 1 1 1 830.2042 *830.5831* 830.5831@12.557955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 830.5831 *830.5851* 830.5851@13.6680355 1 1 1 1 1 1 5835 1 1 1 1 1 1 1 1 2728 6598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3347 3081 1 2257 1 1 1 1 1 1 1 1 1 5199 1 1 1 1 1 1 1 1 1 1 1 1 9972 830.5851 *830.5871* 830.5871@14.753508 1 1 1 1 7057 9271 3719 1 1 1 1 1 1 1 7332 26552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1 1 1 1 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 14727 1 14552 4641 1 1 1 1 1 1 1 1 6865 1 12745 1 5802 1 1 2157 1 1 1 1 1 13465 1 1 1 830.5871 *830.588* 830.588@14.814173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8223 1 1 1 1 1 1 1 1 1 1 1 1 830.588 *831.5937* 831.5937@14.658612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5937 *831.5942* 831.5942@13.651291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9712 1 1 1 1 1 1 1 1 1 1 6070 1 1 1 1 1 1 1 1 1 1 1 20843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5942 *831.5944* 831.5944@14.002525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46150 1 1 1 1 1 1 1 17373 1 29912 1 1 1 1 1 1 1 1 1 1 6407 1 1 1 1 1 1 1 1 1 1 1 28547 1 1 1 16778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5944 *831.5946* 831.5946@14.194313 1 1 1 1 1 1 16038 1 1 1 1 1 1 1 1 55830 1 1 1 1 1 1 1 1 1 1 3739 1 1 1 1 1 1 1 2882 1 11853 1 1 32989 1 1 1 1 1 1 1 13935 1 1 1 1 1 1 1 1 1 1 1 13524 1 1 1 8069 1 1 1 1 1 1 1 1 1 1 1 1 6554 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5946 *831.5946* 831.5946@13.556304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5946 *831.5947* 831.5947@13.999768 1 1 1 1 1 1 17878 1 1 1 1 1 1 1 1 13537 1 1 1 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1980 1 21760 1 1 17594 1 1 1 1 1 1 1 24070 1 1 1 1 1 1 1 1 1 1 1 19710 1 1 1 6072 1 1 1 1 1 1 1 1 1 1 1 1 6864 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5947 *831.5953* 831.5953@14.640409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5290 1 1 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7508 1 1 1 1 1 1 1 1 1 1 1 10563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9806 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5953 *832.274* 832.274@6.5104513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2643 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.274 *832.5977* 832.5977@13.580247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3614 1 1 1 1 1 1 1 1 1 4946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.5977 *832.5983* 832.5983@14.328567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2772 1 1 1 1 1 1 1 1 1 1 1 1 12517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11091 1 1 1 1 1 1 1 1 1 1 1 1 1 832.5983 *832.5984* 832.5984@13.601706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5010 1 1 1 1 1 1 1 1 1 6682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.5984 *832.5986* 832.5986@13.739993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9942 1 1 1 1 1 1 1 4236 1 3052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.5986 *832.6* 832.6@14.459305 1 1 1 1 1 1 1 1 1 1 6024 1 1 1 1 2787 1 1 1 1 1 1 1 4941 1 1 1 1 1 1 1 1 1 1 1 1 4093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6690 1 1 1 1 1 1 1 1 1 1 1 1 1 832.6 *833.6027* 833.6027@14.384929 1 1 1 1 1 1 1 1 1 1 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 833.6027 *833.643* 833.643@0.8429063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 833.643 *833.6653* 833.6653@0.8390124 1 1 1 1 1 1 1 1 1 1 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 833.6653 *833.6989* 833.6989@0.8329324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 833.6989 *833.7124* 833.7124@0.83201134 2032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 833.7124 *835.534* GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6039 5299 4500 3757 6102 5772 4241 4811 3692 1 5125 4575 5015 5085 1 3922 1 1 6835 6601 7539 6666 4769 4709 1 1 4605 4894 8134 7956 10380 10633 9662 9366 1 1 7193 8064 11605 11768 7394 6613 8739 8712 7279 7109 9030 9746 5574 4942 9489 9714 1 1 6471 6745 9614 9072 9301 8965 4199 1 1 1 7679 7207 4207 4106 7248 7069 3922 1 5037 5740 1 1 4714 4598 5767 5819 4361 1 4359 4346 7453 7270 1 1 8905 8760 835.534 *835.6603* 835.6603@0.8424841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 835.6603 *835.6844* 835.6844@0.84893346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 835.6844 *835.7102* 835.7102@0.8319998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 835.7102 *835.8018* 835.8018@0.8239617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 835.8018 *837.6643* 837.6643@0.8437644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12435 1 1 11805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15788 1 1 1 1605 1 1 5770 1 1 1 1 1 1 1 1 1 1 12453 1 1 2215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2484 1 1 1 1 1 1 1 1 1 5383 1 1 837.6643 *837.6789* 837.6789@0.8407301 1 1 1 1 1 2403 1 1 1 1 2129 1 6646 1 12777 1 7851 1 1 1 1 1 1 1 1 1 2301 1 1 1 1 1 2484 1 1 15428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 5505 1 1 1 1 1 1 1 1 11629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.6789 *837.6962* 837.6962@0.8360023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.6962 *837.7757* 837.7757@0.8269616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.7757 *839.5984* 839.5984@14.035308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.5984 *839.6658* 839.6658@0.84576166 1 1 1 1 1 1 9001 9302 1 1 1 1 1 1 1 1 1 9895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9197 8774 1 1 1 1 1 1 1 1 8940 12531 1 1 1 8108 10211 1 1 1 1 14087 1 3959 1 1 1 8635 1 1 1 1 1 1 9290 3858 1 1 12274 1 1 9596 1 1 9475 1560 1 1 1 1 8930 8999 10452 3583 1 3723 1 1 839.6658 *839.6709* 839.6709@0.84225464 9551 5133 3760 11200 11602 13424 1 1 9740 11659 7957 7632 1 9747 1 1 1 1 1 9429 3381 1 3757 14398 3688 9702 9214 10112 3579 5249 3517 8875 1 1 9598 1 9894 9037 1 13799 12763 4064 1 1 4055 1 9119 1 1 2659 11499 9511 3867 1 3749 1 1 9119 10159 1 8700 1 9792 1 1 1 1 1 4318 3001 1 10941 1 1 4186 9596 1 1 3301 1 4065 3419 1 1 1 1 9535 1 1 10782 839.6709 *839.8777* 839.8777@0.8139535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.8777 *840.3112* 840.3112@3.6530786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 2371 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1787 1 1 1 1 1 1 840.3112 *841.6631* 841.6631@0.8410305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 841.6631 *841.6708* 841.6708@0.84349847 1 10523 8471 1 1 1 1 1 1 1 1 1 4388 1 1 4914 1 1 1 1 3981 1 8821 1 7836 1 1 1 8028 10112 7816 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 9145 1 1 4114 1 3937 4443 1 1 1 1 1 1 1 6989 9265 5558 1 8416 8075 4897 1 1 1 1 1 1 1 4675 1 4593 4682 4711 1 1 1 4598 1 1 4722 1 841.6708 *843.6332* 843.6332@0.852943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1818 1 1 1 1 1 1 1 1 1 1 1 843.6332 *843.6385* 843.6385@0.8498464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 3738 1 1 1 1 1 1 1 1 1 5681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 1 1 4236 1 1 1 2034 1 1 1 1 1 1 1 1 1 1 1 2271 1 3435 1 1 843.6385 *843.6647* 843.6647@0.84660476 1 1 1 1 1 1 1 1 1 3068 1 1 1 3321 3332 1 1 1 1722 1 1 2177 1 1 1 1 3016 1 1 1 1 1 1 1 1 1 1 5033 1 1 1 1 1 1 3757 1 3584 1 3316 1 3387 1 3978 1 1 1 1 1 1 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3274 1 3127 1 3205 4597 1 1 1 1 3387 843.6647 *843.6723* 843.6723@0.8427968 2439 1 1 3461 1 1 1 1 3061 1 2600 1 3295 1 1 3698 1 1 1 3424 2963 1 1 1 1 1 1 3403 1 1 1 1 3226 1 5809 1 4182 1 1 1 1 1 2283 1 1 1 1 3794 1 1 1 2818 1 1 2409 1 4827 1 3381 1 4097 1 1 1 1 1 3133 1 1 1 1 1 3113 1 1 1 2570 1 1 1 1 1 3318 1 1 1 3597 1 4943 1 843.6723 *843.6903* 843.6903@0.83701307 1 1 1 1 1 1 1 1 1 1 1 3418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 843.6903 *843.7229* 843.7229@0.8279981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 843.7229 *843.897* 843.897@0.8099916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 843.897 *845.5191* 845.5191@10.676146 1 1 1 1 1 1 3947 3857 1 1 1 2626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4445 4233 6769 5948 6652 5562 1 1 5110 5958 5693 5527 6775 6865 1 1 1 3658 6736 7000 3776 1 6895 6836 1 1 5296 5436 9264 8419 6724 6665 4966 5109 1 1 1 1 1 1 5520 5790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5384 5123 1 1 4563 5333 845.5191 *847.6501* 847.6501@0.84404606 1 1 1 1 1 1 1 1 1 1 4088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.6501 *847.7435* 847.7435@0.82002765 1 1 1 1 1 1 1 3206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.7435 *849.6402* 849.6402@0.84445876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3847 4014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 849.6402 *849.6597* 849.6597@0.8420852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.6597 *849.6686* 849.6686@0.8401027 1 7533 1 1 1 1 1 1 1 1 1 1 1 1 1 2959 1 1 1781 1 1 2781 1 1 1 1 1 1 1 1 1 1 1 1 2495 1 1 1 1 2207 1 2113 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 1 849.6686 *849.6841* 849.6841@0.8360023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.6841 *849.7002* 849.7002@0.83400726 1 1 1930 2300 1 2039 1 1 1 1 1 1 1607 2152 1 1 1 1 1 1 2191 1 1 1274 1 1 1 1 1 1845 1 1 1 1 1 1 1 1 2757 1 1 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2274 849.7002 *849.919* 849.919@0.8174497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.919 *851.5624* 851.5624@14.66603 1 1 1 1 1 1 1 1 1 1 21188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5624 *851.5631* 851.5631@14.854187 1 1 1 1 1 1 1 1 1 1 21341 1 1 1 1 1 1 1 15766 1 1 1 1 1 1 1 1 1 45114 15034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5631 *851.5631* 851.5631@14.843775 1 1 1 1 1 1 1 1 1 1 23067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5631 *851.5634* 851.5634@14.784817 1 1 1 1 135727 1 1 1 1 1 12028 1 1 1 1 53796 1 1 5948 41854 1 1 1 1 1 1 1 1 77330 33098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5634 *851.5635* 851.5635@13.106654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5635 *851.5637* 851.5637@14.679599 142505 1 37197 70321 41489 128917 155903 159603 103487 1 1655 71007 1 31431 99959 50267 1 1 5220 1 1 1 1 247585 1 136948 1 1 1 28224 1 188694 420825 385062 272113 273550 111416 104015 1 204235 549897 1 1 91663 328907 163150 529995 489574 441503 422922 217865 204216 402813 1 1 97296 156633 196730 268612 257525 1 232922 139217 75917 1 1 1 1 1 52883 1 1 1 1 1 1 1 175840 1 162925 1 1 1 1 1 1 1 228633 1 1 851.5637 *851.5637* 851.5637@14.6331625 1 1 1 1 1 1 1 1 1 1 21180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5637 *851.6282* 851.6282@0.84303296 1 1 1 1 1 1 1 1 1 7808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.6282 *851.6772* 851.6772@0.8400168 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2248 1 1 1 1 1 1 1 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.6772 *851.6999* 851.6999@0.8355026 1 5403 1 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 851.6999 *851.7155* 851.7155@0.82899445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.7155 *851.9668* 851.9668@0.81551963 1279 5435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.9668 *852.5665* 852.5665@14.783579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14937 1 1 1 44359 1 1 1 1 1 1 6399 1 1 1 1 4217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42584 1 1 1 1 1 1 58593 1 1 1 1 1 1 1 21728 1 1 1 1 1 1 1 1 1 1 1 852.5665 *852.5668* 852.5668@14.693931 1 1 1 43343 1 1 1 1 1 13042 2152 7959 1 1 1 52253 1 1 1 1 1 1 63831 1 1 1 21961 5370 1 5061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9279 1 1 1 1 1 1 1 9021 1 1 1 1 1 1 21350 1 1 1 1 1 1 1 24307 1 1 1 1 1 1 1 1 1 9060 1 852.5668 *853.5739* 853.5739@14.71788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4737 1 1 1 1 1 1 1 12075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5739 *853.5781* 853.5781@14.067749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29959 1 1 1 1 1 1 1 8401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5645 1 1 1 17388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5781 *853.5782* 853.5782@13.648815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3462 1 1 1 1 1 1 1 7645 1 1 29464 1 1 1 1 1 1 9445 11337 1 46501 1 1 5790 1 1 1 1 1 1 1 14765 1 1 1 7491 1 1 1 1 1 1 1 11333 1 1 1 5467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5782 *853.5785* 853.5785@14.645956 1 1 1 1 1 1 1 1 1 1 5065 1 1 1 1 18443 1 1 1 8684 10211 1 1 6897 1 9035 17097 1 1 1 25629 1 1 1 9965 1 11958 1 1 5440 1 1 1 6156 1 1 1 28177 1 1 1 1 1 1 1 1 1 1 1 43022 1 1 1 1 1 1 1 31473 1 11809 1 1 1 1 1 1 26753 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5785 *853.5789* 853.5789@13.609064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5789 *853.6134* 853.6134@0.85094035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2811 1 1 1 1 1 1 1 1 1 1 853.6134 *853.629* 853.629@0.84552634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8451 1 1 10031 1 1 1 1 1 8648 8644 1 1 6047 1 1 1 4889 1 1 1 1 1 1 1 1 1 1 1 6065 1 1 1 1 1 1 11830 1 6474 1 1 1 1 1 9485 1 1 1 1 1 1 1 10372 1 1 1 1 1 1 1 1 1 5287 1 1 1 1 1 4730 4939 1 1 1 6275 1 853.629 *853.6426* 853.6426@0.84551936 1 1 1 5256 1 1 1 5454 1 1 1 8869 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9904 1 5257 1 1 1 1 11337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12692 1880 1 1 1 1 1 1 1 5898 1 7655 1 1 1 1 1 1 5938 1 11799 1 1 1 1 1 1 1 853.6426 *853.6759* 853.6759@0.84002894 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1 1 1 1 1 1 1 1 1 4224 1 1 1 1 1 1 1 1 1 1 2481 1 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.6759 *853.7673* 853.7673@0.82101524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.7673 *853.956* 853.956@0.82298106 1 1 1 1 1 1 1 1 1 1 2829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3763 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 853.956 *853.9652* 853.9652@0.82232803 6080 1 2549 5527 2492 7068 1687 1 5502 5414 1 1964 3984 4110 5224 5577 4901 1766 5948 4794 7183 3434 5630 2049 2079 7410 3137 2389 1 4913 4357 3734 3774 4611 1 4184 4818 6843 5234 1 4293 1 2133 4435 1974 1710 4678 3628 5375 2204 2282 1795 1507 3278 4661 3801 1898 2521 3735 4963 1 2946 3188 1 4075 3745 1765 4745 4238 1566 4036 3841 1 1 1978 1 5446 1 3315 1509 2003 1760 5074 4898 3960 2843 4331 4400 5154 2537 853.9652 *854.5825* 854.5825@13.703925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11161 1 1 1 1 1 1 1 1 1 11677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.5825 *854.5827* 854.5827@14.24969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.5827 *855.5941* 855.5941@14.594366 1 1 1 1 1 1 1 1 1 1 3862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.5941 *855.5942* 855.5942@14.448139 1 1 1 1 1 1 1 1 1 1 6651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11029 1 1 1 1 1 1 1 52269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.5942 *855.5945* 855.5945@13.91095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51390 1 1 1 1 1 1 1 1 1 1 12775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.5945 *855.5947* 855.5947@14.181338 1 1 1 1 1 1 1 1 1 1 10862 1 1 1 1 1 1 1 39124 1 1 1 1 1 1 1 174691 1 1 1 1 1 1 1 17757 1 38518 1 84904 164119 1 1 1 1 1 1 1 120666 1 1 1 1 1 1 1 1 1 1 1 6246 1 1 1 2814 1 1 1 1 1 1 1 1 1 1 1 55627 202056 1 1 1 1 1 1 1 1 1 1 1 1 1 855.5947 *855.618* 855.618@0.85196733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 855.618 *855.6271* 855.6271@0.8462399 1 1 4040 1 1 1 4206 1 1 1 1 1 1 1 1 1 10353 1 1 3048 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 11840 1 1 1 7889 1 1 1 1 1 1 5041 1 1 1 1 6930 1 1 1 1 2495 1 1 1 1 1 1 1 1 4532 1 6361 1 1 1 9003 1 1 1 1 1 3640 1 7656 1 1 1 1 1 1 1 1 4827 855.6271 *855.6544* 855.6544@0.8454222 6705 11283 1 1 7785 2447 1 1 7233 3249 7325 1 7557 3125 11014 1 1 2716 1 1 7304 2290 1 1 1 1 7785 8066 1 2504 1 1 1 1 7275 3398 1 1 1 8891 1 2736 6258 1 1 10918 1 1 1 6983 9092 1 1 1 12580 1 3229 1 1 1 9144 10638 1 8462 7563 1 1 1 1 1 6382 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 1 1 3646 1 1 855.6544 *855.7713* 855.7713@0.822524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.7713 *855.8652* 855.8652@0.81695724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 1 1 1 1 1 1 1 1 1 1 1 1 855.8652 *855.9653* 855.9653@0.8215461 1 1962 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3758 1292 1 4144 3732 2766 1 1 1 1 1 2662 1 1 1 1 3617 1 1 2459 1 3312 1 1 1 1 3235 1 2922 1 1 1 1 1 3696 1 1 2615 2174 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 3460 1 1 3391 1 1 1 1 1 1 1 1 2683 855.9653 *856.5998* 856.5998@14.345997 1 1 1 1 1 1 6337 1 1 1 1 1 1 1 1 7437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 856.5998 *856.6001* 856.6001@14.202395 1 1 1 1 1 1 28494 1 1 1 1 1 1 1 1 7099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22370 1 6246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 856.6001 *856.6025* 856.6025@14.055409 1 1 1 1 1 1 8820 1 1 1 1 1 1 1 1 13828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8549 1 1 1 11465 1 1 1 1 1 1 1 1 1 1 12820 1 1 1 1 1 1 1 1 1 1 1 19935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11759 1 1 1 1 1 1 1 1 1 1 1 1 1 856.6025 *857.6136* 857.6136@0.8579243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.6136 *857.6401* 857.6401@0.84586424 1 1 1 3430 1 1 5166 2457 1 3453 1 1 1 4459 1 1 1 2883 3970 1 1 1 1 4606 1 1 1 1 1 1 3241 1 3042 1 1 7525 1 1 1 1 1 2649 1 4015 3527 1 1 6902 3260 1 1 1 1 5856 1 1 6856 8270 3408 1 1 1 1 1 1 2928 2929 1 1 1 1 1 1 1 1 1 6309 3123 1 3733 1 5343 1 4387 2848 6514 3666 3361 3454 1 857.6401 *857.6518* 857.6518@0.8462357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9879 1 1 1 1 1 3769 1 1 1 1 7437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.6518 *857.6582* 857.6582@0.84180987 1 1 5684 1 1 6029 1 1 1 1 1 1 1 1 1 1 1 1 1 3190 1 5794 1 1 1 1 1 1 1 4018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.6582 *857.9688* 857.9688@0.8154885 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 857.9688 *858.5284* 858.5284@14.83608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 858.5284 *859.6376* 859.6376@0.8513066 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4471 1 1 1 1 1 1 1 1 1 2354 1 859.6376 *859.6535* 859.6535@0.84680367 1 1 1 1 2416 1 1 4161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 3313 1 2343 1 1 1 1 3364 1 3032 1 1 1742 2582 1 2252 4665 1 3265 1 1 1 1 2110 1 1 4701 1 1 1 1 1 1 5486 1 5012 1 1 3929 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 2529 1 1 1 4469 1 1 1 3086 1 2535 859.6535 *859.6688* 859.6688@0.8406239 1 1 1 1 1 1 1 1 1 1 5516 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 1 1 3483 2870 1 1 1 1 1 1 1 1998 1 1 2526 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6688 *861.7124* 861.7124@0.83000094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 861.7124 *861.8126* 861.8126@0.8189679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 861.8126 *862.5517* 862.5517@14.216614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7175 1 862.5517 *863.7834* 863.7834@0.8229329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.7834 *863.9207* 863.9207@0.81963205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 1 1 1 863.9207 *863.9485* 863.9485@0.8169946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.9485 *864.2995* 864.2995@6.7216005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3135 3490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 864.2995 *865.6609* 865.6609@0.8424641 1 1801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.6609 *865.6729* 865.6729@0.83604544 1 1 1 1 1 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.6729 *867.0103* 867.0103@14.693917 1 1 1 1 1 1 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.0103 *867.6056* 867.6056@0.84794074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3892 1 1 1 1 1 1 1 1 1 867.6056 *867.6419* 867.6419@0.84200233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.6419 *867.6672* 867.6672@0.8434727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.6672 *867.6774* 867.6774@0.8269797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.6774 *867.8721* 867.8721@0.820026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.8721 *867.9587* 867.9587@0.81650686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 9410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.9587 *867.9752* 867.9752@0.8139437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1 867.9752 *867.986* 867.986@0.8129285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.986 *869.5187* 869.5187@10.646388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.5187 *869.6245* 869.6245@0.8469676 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.6245 *869.6293* 869.6293@0.84862566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4963 1 4573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.6293 *869.7219* 869.7219@0.8304766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 869.7219 *869.7523* 869.7523@0.8239913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.7523 *869.9392* 869.9392@0.8245015 10781 7802 5394 6990 5098 3860 4231 1 5135 4847 6289 7500 5155 4186 4515 5755 3961 4029 4164 1648 4263 4607 4613 5028 3831 2156 6433 5108 4787 7434 5562 5380 3375 2153 7755 5054 1 4190 2546 1 1 1 4419 4521 2396 3368 3850 2144 2012 1867 5318 2146 5709 3227 4307 4410 4518 3549 4201 1 4266 7683 2674 5693 1 4971 4095 4284 2558 4430 4649 3348 5435 2677 1572 1 4179 5456 3241 2236 2148 3090 3673 4654 5365 5124 4367 5440 2578 5651 869.9392 *869.9444* 869.9444@0.82997257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.9444 *871.549* 871.549@14.874477 1 1 1 1 1 1 1 1 1 1 1 8526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.549 *871.5503* 871.5503@14.78551 1 1 9391 1 1 1 8829 1 21133 1 9893 1 1 1 1 1 1 1 1 1 4018 1 1 20248 17436 1 8362 1 1 3609 1 1 7973 24200 22637 1 7714 5500 1 18010 1 1 1 1 1 14312 12564 1 1 1 1 9299 1 1 1 1 1 1 1 1 19190 1 74815 7508 1 1 1 18636 1 1 6817 18343 1 8624 1 1 9197 1 1 1 1 15441 1 1 1 14575 1 1 1 1 871.5503 *871.5512* 871.5512@14.8554125 50668 1 1 15557 1 20027 1 1 1 56963 1 1 1 1 26023 7754 1 7868 1 1 1 9545 12371 1 1 8447 1 1 1 5569 73363 1 1 1 1 1 20347 1 10037 1 1 1 1 1 1 1 32450 1 1 1 1 1 29794 1 1 1 1 1 1 1 1 42616 1 1 24917 1 1 37109 1 21896 1 33125 78593 1 73063 1 1 13709 9003 15162 15468 1 1 1 51004 41475 62843 1 1 1 871.5512 *871.5513* 871.5513@14.905636 1 1 1 1 1 1 1 1 1 1 10829 1 1 12379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.5513 *871.6185* 871.6185@0.847195 1 6785 1 1 1 1 1 1 1 1 5346 6855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.6185 *871.7404* 871.7404@0.8320242 1803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.7404 *871.7622* 871.7622@0.8289706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.7622 *871.7682* 871.7682@0.82197994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.7682 *871.906* 871.906@0.8232311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 2157 1 1 1 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.906 *871.9255* 871.9255@0.8251111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2744 1 3917 1 3219 3163 1 1 2434 2616 1 1 1 3167 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 3081 1 1 1 1 1 1 1 1 1 1282 1661 1 1 1793 2981 1 1 2532 1 1 1 1 1 1 1 871.9255 *872.286* 872.286@6.721101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3359 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 872.286 *872.5553* 872.5553@14.803765 1 7599 18251 1 4248 1 1 17249 6826 1 3981 1 1 1 1 6873 6700 1 1 1 1 1 1 21133 28013 1 1 1 1 1 1 16454 10242 1 1 12150 1 1 1 1 1 1 1 12872 1 1 1 1 1 6764 1 15351 8518 1 8098 1 1 1 1 1 1 1 1 1 3670 1 1 1 24532 1 1 1 1 4450 1 6881 1 1 8868 1 1 22700 5239 4191 1 1 1 1 1 1 872.5553 *873.5653* 873.5653@14.856465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 873.5653 *873.59* 873.59@0.8499056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2842 1 1 873.59 *873.9493* 873.9493@0.81501263 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 873.9493 *873.9791* 873.9791@0.8130028 1 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 873.9791 *874.3534* 874.3534@8.223963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21806 22127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 874.3534 *875.6269* 875.6269@0.84893346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.6269 *875.6538* 875.6538@0.8420459 1 1 1 1 1 1 1 1 1 1 2164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.6538 *875.6662* 875.6662@0.8420246 5618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.6662 *877.5797* 877.5797@14.6746235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877.5797 *877.7679* 877.7679@0.8219954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877.7679 *877.8147* 877.8147@0.817931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1 1 1 1 1 877.8147 *878.6632* 878.6632@14.476123 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7014 7195 1 1 1 1 1 1 3530 1 3819 1 1 1 1 1 5601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 878.6632 *878.664* 878.664@14.221323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 878.664 *878.6641* 878.6641@14.322896 1 1 1 1 5698 5477 1 1 1 1 3468 1 6131 1 1 5125 1 1 1 1 7206 6994 1 1 1 1 1 1 8739 1605 5096 1 4380 1 1 1 4149 3719 5046 9192 1 1 3290 1 3477 3766 1 6259 1 1 1 1 1 1 1 1 1 3435 4133 1 1 1 1 1 1 1 7287 1 3714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5616 878.6641 *879.5976* 879.5976@14.361993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.5976 *879.6009* 879.6009@14.42573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8978 1 1 1 1 1 1 7418 1 20549 1 1 1 1 1 1 1 1 1 1 1 1 1 879.6009 *879.6034* 879.6034@14.339133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 14087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15891 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 14931 1 1 1 1 44107 1 1 1 1 1 1 1 1 1 1 879.6034 *879.604* 879.604@14.341923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14304 1 1 1 1 12338 8824 1 16062 1 1 6403 9785 1 1 1 1 1 1 1 1 1 1 1 1 1 8449 1 1 1 1 1 39083 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 879.604 *879.6229* 879.6229@14.222543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.6229 *879.6564* 879.6564@14.128751 1 6425 4672 2235 1 1 1 1 1 1 1 1 1 1 4652 1 1 1 1 1 1 1 1 1 1 1 4417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2832 1 5507 1 1 1 4935 1 3992 1 2356 1 1 2469 1 1 1 1 1 879.6564 *879.6654* 879.6654@14.123226 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.6654 *879.7694* 879.7694@0.8200023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.7694 *879.7826* 879.7826@0.81701016 1 1 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.7826 *879.9083* 879.9083@0.81604385 1 1 1 1 1 1 1 1 1 1 1527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.9083 *879.9367* 879.9367@0.81501573 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.9367 *880.6051* 880.6051@14.2565565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 880.6051 *882.3004* 882.3004@3.6466186 2054 1 4312 3920 1 1 1 1 3302 3333 3210 3370 1 1 4275 4201 1 1938 3563 3434 2736 2706 4393 3795 3275 3296 3789 4100 3087 3074 3142 3536 1 1 1 1 2923 3147 2283 2454 3784 3610 4718 4893 2454 2603 4202 4209 5317 5396 2788 2922 3728 3428 5294 5172 3674 4004 5320 4963 6694 6842 3631 3549 2271 2181 3930 3810 4675 4978 6202 6223 5483 5128 4898 4779 5614 6093 4288 4752 5147 5199 6464 6504 4075 3872 5690 5195 2525 2573 882.3004 *884.6791* 884.6791@13.465606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 1 1 1 1 1 3208 3344 8207 6697 1 1 1 1 1 1 1 1 1 1 5863 6292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4288 3832 1 1 11876 15989 884.6791 *885.8896* 885.8896@0.8187599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5216 1 3210 1 1 1 1 1 2674 1 1 1 1 1 2165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 885.8896 *885.8981* 885.8981@0.8255846 6300 6398 1 1 1 1 1 1 1 1 4332 5549 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1 3306 2386 3413 1 1 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4177 6107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1726 1 1 2072 1 1 1 885.8981 *887.8661* 887.8661@0.82003 1 3834 1 1 1 1 1 1 1 1 2582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 887.8661 *887.914* 887.914@0.83393246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1714 1 1 1 1 1 1 887.914 *890.2814* 890.2814@3.808878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 2022 1 3561 3625 2332 2220 1832 1411 2631 2859 3513 3538 1 2089 1 1 3733 3672 1 1 1 1 2341 2994 890.2814 *890.2824* 890.2824@3.9048948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3271 3315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 890.2824 *890.5187* 890.5187@13.226208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5453 5630 1 1 1 1 1 1 3564 3459 1 1 1 1 1 1 1 1 1 1 8014 8609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17185 17094 890.5187 *890.7247* 890.7247@14.224464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6346 6038 1 1 1 1 1 1 8346 8448 1 1 1 1 1 1 1 1 1 1 8225 7928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12596 13913 890.7247 *892.4318* 892.4318@8.708252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14057 13565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 892.4318 *895.9153* 895.9153@4.845495 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 895.9153 *897.6291* 897.6291@0.84498036 1 1 1 1 1 1 1 1 7439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4284 1 897.6291 *897.6355* 897.6355@0.84052455 1 1 1 1 1 1 1 1 1 1 1 1 1 5270 1 1 1 1 1 1 1 1 1 5484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.6355 *899.6358* 899.6358@0.84179384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 1 1 5041 1 2545 1 5190 1 1 1 2204 2284 5837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1 4558 1 1 1 1 1 1 4937 2509 1 1 1 899.6358 *899.6465* 899.6465@0.8350392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 899.6465 *901.6165* 901.6165@0.8429899 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.6165 *901.6387* 901.6387@0.8430055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.6387 *901.8676* 901.8676@0.8219368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.8676 *907.8701* 907.8701@0.8155297 1 1234 1 1 1 1 1 1 1 1 2806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 907.8701 *909.889* 909.889@0.81301343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 909.889 *911.5734* 911.5734@0.84700686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.5734 *911.8928* 911.8928@0.8189683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.8928 *911.8959* 911.8959@0.819035 1 1 1 1 1 1 1 1 1 1 1 2271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 2858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.8959 *911.9159* 911.9159@0.8206207 4426 1 1757 1642 1624 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1646 1 3241 2431 2754 1 1114 1 1 1 1608 1 1 1 1 1368 3251 1 1 1 1 1 1 1798 1 2337 1 1872 2403 1 1 1 1 1 1 1 1 1 1 1 3183 1 3672 1 1 1 1 3403 3122 1 1 1710 1 1751 3355 911.9159 *911.9218* 911.9218@0.8219825 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 4344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.9218 *912.3215* 912.3215@6.722154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 912.3215 *913.8891* 913.8891@0.82444906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 913.8891 *913.906* 913.906@0.8200486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 913.906 *913.9224* 913.9224@0.8232199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 1 1 1 1 1 1 1 1 1 1317 1 1 913.9224 *915.603* 915.603@0.8489604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 915.603 *915.626* 915.626@0.84401643 1 5416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 915.626 *919.549* 919.549@14.702443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11277 1 1 1 1 1 1 1 1 1 919.549 *919.5503* 919.5503@14.644967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7385 12180 1 1 1 1 1 1 1 1 26548 19402 11524 9393 1 1 1 1 33878 11036 1 1 19379 1 28296 23827 23004 22045 1 15942 23029 1 1 1 1 1 10167 12563 1 15615 1 1 1 1 1 36144 1 1 1 1 25247 22986 10156 1 1 1 1 1 23713 29722 1 1 26572 23743 21235 1 1 1 919.5503 *920.2316* 920.2316@0.9227726 11489 12191 8051 8614 9591 9338 1 4529 8454 7993 10085 11884 8331 8074 9316 8613 6784 7529 6983 6717 9640 9593 9371 9292 7107 7927 9152 9778 9532 9898 9401 9315 10012 9068 11540 12422 10262 10114 12363 10847 10934 11079 10507 9997 10365 10152 10993 11273 10226 9457 9784 9875 8057 8133 8160 8714 9082 9948 11102 12117 14699 14675 17341 9824 11580 11532 8981 9558 9583 9224 9955 10736 12576 12821 11975 12029 12080 12221 10349 11132 11093 10676 13485 13600 11685 12735 13655 13936 15163 14398 920.2316 *920.2346* 920.2346@0.91795677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 920.2346 *920.3083* 920.3083@6.717604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4725 4624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 920.3083 *920.5533* 920.5533@14.600532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 920.5533 *920.7099* 920.7099@14.218923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 920.7099 *921.8885* 921.8885@4.8617616 4564 4420 4990 4881 6404 5667 4868 4754 5324 5365 6215 5494 5277 5401 3815 3540 6037 5911 1828 1797 1790 1 2040 1786 3386 3156 3143 2748 1 1 4023 3904 4563 4552 4978 4965 4312 4626 3449 3492 3998 3834 1864 1936 4707 5162 1899 1807 3689 3572 4594 4864 1 1 3979 4216 4378 4595 1 1 1492 1684 3079 2884 5047 4789 4445 4284 3903 3974 3551 3535 1828 1841 4155 4307 2360 2996 2256 2074 1 1 1 1 1 1711 1771 1860 1 1 921.8885 *922.2997* 922.2997@8.285885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16598 15212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.2997 *923.858* 923.858@0.81701267 1 1 1 1 1 1 1 1 1 1 1 6643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.858 *927.8728* 927.8728@0.82100487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 1 1 2060 1 1 1 1 1 1 1 1 1 1 1 4371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 927.8728 *927.8906* 927.8906@0.82358855 6983 7631 1752 1 1 1 1 1 1 1 6477 1 1501 1 1 1629 1 1 1 1 6182 6384 2598 1727 1 1 4829 5552 2091 5273 5195 4507 1915 2069 1 1 7540 1 5308 1 2537 1858 1 1 1 4935 1 6189 5364 1 2193 1 1 1 1 1 1 1 1 1 7318 2945 5274 3386 1 1 1 1 1 1 1 1 1920 3403 1 1 5430 4061 1 1 1 1 4907 2006 1 1 3109 6675 2639 3462 927.8906 *927.9013* 927.9013@0.8253124 1 1 1 1 1928 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5245 1 2777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3203 1 1 1 1 1 1 1 1 3071 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 1 1 2108 1869 1 1 1 1 927.9013 *928.3164* 928.3164@8.283388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34552 32761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 928.3164 *929.8695* 929.8695@0.8233236 1 1 1952 1708 3754 1 1 1 1 1 1 3129 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4518 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 2781 1 2600 1 1 1 1 1 1 1 2156 1 1 1 2894 1 1 1 1 1 1 1979 1 1 1 1 3412 1 1 1 1773 1 1 1 1 1 1 1 1 1969 1 929.8695 *929.8921* 929.8921@0.82441044 1 1 1 1 1 1 1 1 1 1 1 1 1 2982 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 3819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4171 1471 1 1 1 1 1 929.8921 *929.8986* 929.8986@0.8225212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 929.8986 *931.8897* 931.8897@0.81945634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1600 1 1 931.8897 *934.3036* 934.3036@6.723099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59838 57992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 934.3036 *936.2056* 936.2056@0.92354834 1 1 1 1 1 1 1 1 1 1 3388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3913 4099 4258 4616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 936.2056 *936.3949* 936.3949@8.709252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5093 4561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 936.3949 *942.2105* 942.2105@0.95494574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 1 1 1 1 1 1 942.2105 *942.2142* 942.2142@0.91647613 11681 11114 8081 7887 9399 9110 5384 6077 8229 7740 10440 10260 8409 8346 8775 9126 6797 7733 7022 6989 9586 10015 8960 8927 7793 7729 8937 9207 9278 9439 8402 8788 9165 8452 11416 10780 9502 9432 10942 10137 9922 10428 9872 9399 10012 9437 9867 10521 8933 9294 10104 9652 7639 7818 7481 8209 8154 8957 10014 10205 12997 12783 14131 14360 10549 10193 8429 7947 7828 8548 8465 8521 9596 10520 10649 11321 10774 8205 9581 9758 9828 9545 11509 11851 10154 11289 12447 11994 13590 12893 942.2142 *943.8629* 943.8629@0.82375264 4722 2612 1 1 1 1 1 1 1 1 6171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 943.8629 *944.2803* 944.2803@8.284887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13895 13332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 944.2803 *945.8478* 945.8478@0.8249887 1 4708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 945.8478 *945.8618* 945.8618@0.8220128 1 1 1 1 1 1 1 1 1 1 1 4514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 945.8618 *950.2973* 950.2973@8.283388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14300 13770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 950.2973 *955.5754* 955.5754@0.8514795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7322 1 1 1 1 1 1 1 1 1 1 1 1 4933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 955.5754 *955.5773* 955.5773@0.8484858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 955.5773 *956.2866* 956.2866@6.737585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17323 17280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.2866 *956.975* 956.975@9.682771 16918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18982 1 1 1 1 1 1 1 1 1 17754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.975 *956.9754* 956.9754@4.6889105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32675 1 1 1 1 1 1 1 1 1 20804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9754 *956.9754* 956.9754@10.331753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14311 1 1 1 1 1 1 1 1 956.9754 *956.9755* 956.9755@3.7342646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32951 1 1 1 1 46340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35511 1 1 1 1 1 1 1 1 1 1 1 1 956.9755 *956.9757* 956.9757@2.3455808 1 35219 1 8333 20568 1 1 1 1 1 13645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55764 1 17896 1 1 1 33037 26501 1 1 1 1 35856 1 54449 1 1 1 1 1 1 51766 1 24408 48068 1 85046 1 1 1 1 47838 1 54382 31138 31146 1 1 1 50536 1 29777 1 1 55267 1 1 1 1 1 62319 1 1 1 50627 18356 57532 46151 1 1 1 1 956.9757 *956.9757* 956.9757@2.9014523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9757 *956.9759* 956.9759@1.5256695 1 1 41633 87090 76254 1 59129 1 1 1 1 1 1 1 46691 1 1 27833 67472 1 1 1 60882 69017 1 77315 67752 1 1 29123 1 1 1 1 57849 1 43880 1 89093 143860 1 1 56114 153408 1 1 64930 1 1 1 1 1 1 1 1 1 1 1 1 14302 57952 1 1 1 1 1 105686 1 1 1 43939 1 1 1 57944 1 89517 1 1 1 1 82959 1 1 1 1 37888 1 1 74888 956.9759 *956.9759* 956.9759@2.005651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56165 1 44484 15602 1 1 1 1 27855 1 1 52981 1 1 1 1 1 1 1 27407 52808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37874 1 21182 1 1 68155 1 1 1 90183 1 1 42455 1 1 1 16592 1 1 1 1 78172 1 956.9759 *956.976* 956.976@0.71668285 20387 1 19243 24646 1 1 1 15583 1 1 17417 24111 13234 45984 1 30763 17808 15332 1 1 1 10688 1 90469 10474 1 18183 36347 1 17278 1 13569 29724 20380 49812 43774 25461 11259 1 1 1 1 16644 1 1 19509 1 1 15119 1 1 1 1 7948 14851 1 28191 48146 16901 22800 1 23476 15171 1 24174 33583 49068 1 25242 15242 10074 12687 32719 1 1 20312 1 15134 35969 21974 1 1 1 27436 1 1 20098 46600 31600 30781 956.976 *956.976* 956.976@1.5918629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46742 1 1 1 1 1 1 1 55786 1 1 1 1 1 1 1 1 1 36258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16228 956.976 *956.9761* 956.9761@1.2343231 47949 53795 54458 52179 54790 58156 64353 68285 57109 61225 59468 62406 77733 64046 57377 60867 61569 65286 54167 55239 64849 66982 60034 65985 64368 62678 74496 88590 64016 65094 66886 59599 65578 62526 64761 71472 60175 59445 65940 67146 73153 68548 50520 52001 70879 72039 66620 62010 66897 67054 72771 65947 67545 64193 70051 68866 74052 76009 62519 50312 45325 43393 60579 59837 52131 50190 49853 53156 63151 70350 53642 62067 57841 58812 62630 53900 40518 44590 53553 58387 53356 51092 57183 50934 56117 65967 52706 57989 61675 62851 956.9761 *956.9767* 956.9767@1.8531158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9767 *956.9768* 956.9768@1.1091353 204250 184919 167701 1 1 139127 1 1 1 1 1 1 1 1 1 1 1 1 148747 1 235697 1 1 1 201918 131797 189945 253805 1 48055 1 1 1 1 58778 1 1 1 1 253736 1 294769 1 1 1 1 250875 323876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216959 1 1 1 1 1 1 1 1 956.9768 *956.9768* 956.9768@1.1235149 1 1 1 1 1 1 238536 244231 257719 258282 1 1 235455 230408 248196 238627 268037 278704 1 1 1 1 229411 239003 1 1 1 1 1 99776 1 1 1 1 1 1 254498 173380 1 1 1 1 161597 154439 314044 1 1 1 282649 260615 253425 232503 251586 237729 297438 305805 291114 266140 273782 240081 214506 265357 1 1 1 1 256743 221370 242759 248819 206136 198241 381895 285133 223481 227643 217393 226449 243997 1 384730 1 212994 212911 206700 219721 191206 199263 1 200978 956.9768 *956.9769* 956.9769@14.637566 1 1 1 16131 1 1 1 1 1 1 120217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9769 *956.9772* 956.9772@13.972273 47881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29327 1 1 1 1 1 956.9772 *956.9777* 956.9777@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9777 *956.978* 956.978@0.8099332 139572 138749 146922 142160 147501 144255 142986 18852 136168 145617 133533 137658 23905 19534 156030 15756 28501 135840 135743 136005 140320 126266 146476 139007 140595 137322 135543 132618 88316 105856 73307 104785 1 55023 150599 144208 126799 135308 122262 139487 139272 143664 151609 141591 131038 122775 139820 134499 155430 154206 137871 138548 222353 25713 122828 88107 136498 134482 140084 76722 139890 126024 21598 84436 113396 118383 132202 126314 125281 125117 22724 139822 137373 118331 122953 19020 119433 141161 101889 105739 141680 137668 141715 120524 128216 134456 134067 125690 123727 132980 956.978 *956.978* 956.978@0.9283793 753633 742855 763520 666545 695328 723384 863402 849755 859301 856798 253102 732569 790363 790635 200430 760788 753283 778209 735889 739739 721129 731997 728570 756277 281613 733425 720891 711265 600020 92570 629224 649333 549142 1 171150 753645 713182 695018 697179 549730 701572 746380 718563 644834 704005 716401 765877 796506 798060 799497 787198 756171 748207 318658 712050 661644 829662 827467 779430 777612 717347 718501 1 519466 295163 581991 656634 614015 774192 741731 135566 728355 805556 630467 734386 751427 745780 729127 661117 672692 777627 763463 739834 680730 803143 792855 757069 764520 1 508430 956.978 *956.978* 956.978@0.981968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229235 1 1 1 1 1 1 1 1 1 1 121030 1 1 1 1 1 744844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.978 *956.978* 956.978@14.693917 1 1 1 1 1 1 1 1 1 1 202774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.978 *956.9783* 956.9783@0.8489357 1 1 1 1 1 1 1 155832 1 1 395100 1 145401 146017 491567 143734 150023 1 1 1 1 1 1 1 466760 1 1 1 1 56314 1 1 1 1 588696 1 1 1 1 1 1 1 1 84675 1 1 1 1 1 1 1 1 1 132648 1 1 1 1 1 1 1 1 1 1 90767 1 1 1 1 1 11631 1 1 1 1 138245 1 1 1 1 1 1 1 1 1 1 1 1 1 145238 956.9783 *957.353* 957.353@14.692921 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.353 *957.5909* 957.5909@0.8479772 1 1 1 1 2728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6555 1 1 1 1 3065 1 1 1 1 1 1 1 1 1 1 1 1 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5548 1 1 1 1 1 1 1 1 1 1 1 1 5397 1 1 1 1 1 1 1 1 957.5909 *957.603* 957.603@0.8440368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.603 *957.6394* 957.6394@13.478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.6394 *957.9776* 957.9776@2.00748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4343 1 1 1 1 1 1 6550 1 1 1 1 1 4456 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8170 1 1 4597 1 1 1 4391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2739 1 1 1 1 1 1 1 1 1 5750 1 957.9776 *957.9777* 957.9777@1.5340552 1 1 3262 1 2977 1 1 1 1 1 2529 9230 1 1 1 1 1 1 1 1 1 4990 1 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9777 *957.9779* 957.9779@1.9118656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2699 1 957.9779 *957.9779* 957.9779@3.0733788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9779 *957.9786* 957.9786@2.4791355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9786 *957.9793* 957.9793@1.0473834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14942 1 1 1 1 1 1 1 27384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 957.9793 *957.9796* 957.9796@0.8418408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16329 1 17423 1 1 1 1 1 1 1 1 1 1 1 1 13905 10540 1 16339 1 1 1 1 1 1 3883 1 1 1 1 1 1 1 2445 1 1 1 72669 1 957.9796 *958.1795* 958.1795@0.9172687 5566 1 1 1 1 3634 1 1 3456 1 6728 5552 1 3446 3357 1 3027 1 1 1 1 1 1 1 3179 3799 3642 1 3567 1 1 2757 3570 2891 4022 1 1 2994 1 5207 4891 2724 3515 3101 1 3493 2992 3592 2883 1 2633 3167 2606 1 1 2888 3035 1 3657 3653 6030 1 5201 6288 3452 1 1 2627 1 1 3297 1 2979 3022 5067 3559 1 3018 2938 1 1 3382 4305 1 3265 2888 4112 5204 4873 1 958.1795 *958.9709* 958.9709@14.4663925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9709 *958.9717* 958.9717@10.4722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9717 *958.9717* 958.9717@3.114119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9717 *958.9718* 958.9718@3.4919076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12910 1 1 1 958.9718 *958.9721* 958.9721@1.6143097 1 1 1 1 1 1 1 1 1 1 9320 1 1 1 1 1 1 1 1 8083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9721 *958.9726* 958.9726@1.1320379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9726 *958.9728* 958.9728@2.379727 1 1 7924 1 1 1 10887 1 17169 14045 1 1 1 1 1 9040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6401 1 13505 1 1 17326 1 1 1 1 8844 1 1 1 1 1 1 11802 5797 1 1 1 1 1 1 1 1 1 1 1 1 14022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6733 1 1 1 1 1 1 958.9728 *958.9728* 958.9728@0.65819955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3943 1 1 1 1 1 1 1 1 1 1 1 4410 1 6516 1 1 1 1 1 1 1 1 1 1 1 3855 1 1 958.9728 *958.9729* 958.9729@1.5409553 1 1 18347 12093 1 1 1 1 1 1 10899 1 1 1 1 15307 1 1 1 9088 10854 34468 1 1 1 1 1 1 9824 8376 1 1 10838 1 1 20950 1 1 14286 15164 1 1 17144 1 1 1 1 1 1 1 1 1 1 1 18450 1 1 1 1 1 22670 1 23932 1 1 1 1 20121 1 1 1 1 1 1 17524 1 1 1 1 1 1 1 24152 22701 1 1 9765 1 1 1 958.9729 *958.973* 958.973@2.5259452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8204 7269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.973 *958.9733* 958.9733@1.8980782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6027 1 1 1 1 1 15944 1 1 1 1 1 1 1 1 1 1 15975 1 1 1 1 1 26627 1 15851 11233 1 1 1 1 20512 1 1 1 1 1 1 1 1 1 1 1 6594 1 16005 1 1 1 1 3904 1 958.9733 *958.9744* 958.9744@0.8700961 1 1 1 1 1 1 1 1 1 1 35478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4102 39426 1 1 1 1 1 1 1 1 1 62988 1 1 1 1 1 1 1 1 1 1 1 1 1 102459 1 1 1 1 1 28822 1 1 1 1 49319 1 1 48673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67635 1 958.9744 *958.9744* 958.9744@1.0019915 1 1 1 85339 1 63718 1 1 1 1 1 1 1 1 81474 1 1 1 35513 1 1 1 1 1 1 1 1 1 1 85263 1 1 1 1 22226 1 1 1 1 73098 1 1 1 1 1 1 1 1 1 1 1 1 1 92635 1 1 1 1 1 1 1 1 1 1 79914 31805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65873 1 45541 1 1 1 1 59765 1 958.9744 *958.9752* 958.9752@0.7623206 1 1 1 1 1 3774 1 1 1 1 21227 1 1 1 1 1 6446 1 1 1 5095 1 1 1 1 1 1 1 4568 19852 1 17785 1 1 1 1 1 4178 1 1 1 1 1 1 1 1 1 1 1 1 1 7246 3968 1 1 1 1 1 1 3904 1 3996 1 1 1 26623 1 6116 1 6415 1 1 1 1 1 1 6682 2818 1 1 1 1 1 1 1 1 1 1 1 23596 958.9752 *959.9755* 959.9755@1.103212 1 1 1 1 1 1 1 1 1 1 6081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3581 1 1 1 1 1 4811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9755 *959.9767* 959.9767@0.9593184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12901 1 1 1 1 1 1 1 1 1 1 1 1 1 8093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9767 *959.9768* 959.9768@0.9261956 1 1 1 1 1 1 1 1 1 1 8829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5073 1 1 1 1 1 1 1 1 1 32152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26165 1 959.9768 *959.9776* 959.9776@0.86707413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9278 1 1 1 1 1 1 1 7847 1 1 1 1 4941 4885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3486 5939 1 8063 1 4289 1 1 4680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9776 *959.9791* 959.9791@1.052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9791 *964.1948* 964.1948@0.9093496 6445 6270 4418 4521 5332 5300 1 1 5499 4993 4948 4789 5087 4146 5421 5402 4117 4092 4451 4268 4661 5383 5339 5146 3697 4919 5252 5659 5238 4902 4844 4701 4818 4972 6056 5655 5060 5175 5452 5625 5190 5487 5160 4569 4911 5298 5341 5497 5338 5330 5025 5308 4311 4705 4313 4956 4769 4501 5136 5417 5664 5904 6805 6412 5003 4959 3848 4268 4738 4481 4063 4289 5419 5082 5118 5114 5707 5212 5193 5008 4617 5138 5819 5999 5309 5068 4453 6174 6885 6302 964.1948 *967.008* 967.008@0.612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@0.6616579 1 1 1 1 1 1 1 1 1 1 1 1 354969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574743 1 1 1 1 1 1 967.008 *967.008* 967.008@0.7023266 1 1 1 1 1 1 1 1 1810125 1 385351 1 1 1 1 1 1 1 1 1 1 1 582210 1 1 1 1 1 1 293649 1 1 1 1 1 1 1 515551 1 1 1 1 716542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462169 1 1 1 1 1 1 574887 369548 1 1 1 1 967.008 *967.008* 967.008@0.7786132 1 1 1 1886098 1 994739 1724372 1 997048 833754 633312 1013260 1 1 1 1 1 1436561 1 1 1 1 1270572 918138 1 1 1 1 1 770081 1097958 982963 1 1 1 1 1147145 1240671 1 1 1 1 1412464 676511 1 1140357 871245 941647 1 1067571 1038369 1 1 106021 1042524 1 566826 1 1 1 1 869648 1 1 910572 1516811 1589768 189925 998823 1 1 1024714 1618656 1 1 1 1 1072652 1 1 1281856 1061737 1 2193022 1 1 1 1516497 1126106 1283062 967.008 *967.008* 967.008@1.1825856 1 1391844 1 1 1 1123203 1 1 1 1 1 1 1 1 1 1156979 1 1 1 1 740052 1 1 1 1 1 1055208 1 1 216961 1 1 1258438 1 802958 1 1154581 1 1 1048339 1 1 1522511 1 1 1 1 1217368 1 1 1001776 1 1 1 1 1091474 785626 1 1 880056 1 1 1 1 1 1 1 444878 1 1 1 1 1 1146227 1 1 1 1090890 1020943 1 894724 1 1 1 1 1109548 1 1 1 1 967.008 *967.008* 967.008@13.526895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126335 1 1 1 1 1 1 1 1 1 1 178204 1 1 1736093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@1.0112392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310282 1 1 1 1 1 1 456507 1 1 1 1 1 1 1 1 1 1 1 798140 1 1 1 1 377292 1 1 1 1 1 1 1 1024451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460051 1 1 1 1 241439 1 1 1 1 967.008 *967.008* 967.008@10.59074 1 1 1 1 1 1 248528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@14.694913 1 1 1 1 1 1 1 1 1 1 944767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@14.758653 1 1 1 1 1 1 1 1 1 1 932537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@12.462541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@2.286269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@5.280687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.008* 967.008@9.488922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.008 *967.3812* 967.3812@14.550674 1 1 15599 1 1 1 1 1 14848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27531 1 1 1 1 1 1 1 1 1 19837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3812 *967.3823* 967.3823@13.321921 1 1 1 11879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.3823 *967.385* 967.385@14.682752 1 1 17832 1 1 1 1 1 19844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.385 *967.5553* 967.5553@14.333387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.5553 *967.5618* 967.5618@13.589888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10624 1 1 1 1 1 967.5618 *967.6403* 967.6403@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6403 *967.6476* 967.6476@14.779151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6476 *967.6847* 967.6847@6.539841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.6847 *967.7931* 967.7931@14.693917 1 1 1 1 1 1 1 1 1 1 19447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 967.7931 *968.009* 968.009@1.1035204 1 1 1 1 1 122990 1 1 1 1 32997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.009 *968.009* 968.009@0.69749665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.009 *968.0092* 968.0092@0.730563 1 1 1 1 1 1 1 1 1 1 105284 1 201954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192313 1 1 1 112426 455002 1 1 107651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79423 1 180108 1 1 80109 489390 1 1 1 1 79464 1 1 1 1 177052 1 1 1 1 1 1 1 1 72059 1 1 1 1 1 173878 1 1 1 1 1 968.0092 *968.0092* 968.0092@0.9950657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0092 *968.0092* 968.0092@0.7709905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.0092 *968.011* 968.011@13.56 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.011 *968.3698* 968.3698@0.73298776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.3698 *968.4562* 968.4562@14.810027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.4562 *968.4768* 968.4768@14.752258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.4768 *968.5291* 968.5291@13.409249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3722 1 1 1 1 1 1 1 1 1 1 1 968.5291 *968.5472* 968.5472@14.469266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7346 1 1 1 1 1 1 1 1 1 1 1 1 968.5472 *968.5589* 968.5589@14.872183 1 1 1 1 1 1 1 1 1 1 4123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5589 *968.5744* 968.5744@14.700171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5744 *968.5927* 968.5927@13.723306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8206 1 1 6269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.5927 *968.6339* 968.6339@14.864717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.6339 *968.7649* 968.7649@14.375417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.7649 *968.8472* 968.8472@14.67 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 968.8472 *969.0086* 969.0086@0.6807668 1 1 1 1 1 1 1 1 1 1 1 1 1 69724 1 1 1 1 1 1 1 11631 1 1 1 1 1 1 1 8433 1 14997 1 1 1 1 1 1 1 1 1 1 11649 1 1 1 1 1 1 13572 1 1 1 1 1 1 1 1 1 17887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13068 1 1 1 1 12977 1 1 1 1 969.0086 *969.0092* 969.0092@14.567253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0092 *969.0092* 969.0092@7.179332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0092 *969.0095* 969.0095@1.1639473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17161 1 1 1 1 1 1 1 1 1 1 1 1 1 969.0095 *969.01* 969.01@0.7606881 18901 1 1 1 1 1 18634 1 1 1 1 12680 1 1 1 27235 1 1 1 1 1 1 1 1 1 55272 1 1 1 10716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13760 1 1 1 1 1 1 12185 1 1 1 1 16325 15015 1 1 1 1 1 1 1 67544 1 1 12969 1 1 1 1 1 1 1 1 1 37302 1 1 1 1 969.01 *969.0102* 969.0102@0.7139696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11501 1 1 1 1 969.0102 *969.011* 969.011@8.721958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.011 *969.2581* 969.2581@14.484763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.2581 *969.3053* 969.3053@14.23125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3053 *969.3222* 969.3222@14.52675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3222 *969.34* 969.34@13.926304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.34 *969.3987* 969.3987@14.759648 1 1 1 1 1 1 1 1 1 1 6534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.3987 *969.4741* 969.4741@13.481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4741 *969.4881* 969.4881@13.557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.4881 *969.5322* 969.5322@14.599463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.5322 *969.6124* 969.6124@13.850477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.6124 *969.8248* 969.8248@13.48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 969.8248 *969.8958* 969.8958@0.8164905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 969.8958 *970.0071* 970.0071@14.183636 1 1 3306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.0071 *970.0099* 970.0099@0.7274385 1 1 1 1 1 1 1 1 1 1 3251 1 1 1 1 1 1 1 1 2738 1 2296 1 1 3142 1 1 1 1 1 4321 1 1 1 1 1 1 4236 1 1 1 1 1 1 4669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 5983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.0099 *970.5612* 970.5612@14.693917 1 1 1 1 1 1 1 1 1 1 2556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.5612 *970.6342* 970.6342@13.558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.6342 *970.765* 970.765@14.760645 1 1 1 1 1 1 1 1 1 1 2454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.765 *970.8234* 970.8234@14.691925 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.8234 *971.8624* 971.8624@0.8200238 3264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.8624 *971.877* 971.877@0.8190158 1 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.877 *979.0397* 979.0397@1.7287169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5681 1 1 1 1 1 1 1 1 1 4076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3749 1 1 1 1 1 1 1 1 1 1 14753 1 979.0397 *979.0405* 979.0405@1.7423937 1 1 1 1 1 1 1 1 1 1 2623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7777 8303 21927 22033 1 1 1 1 15843 15040 11525 6281 1 1 10703 10698 1 1 1 1 6881 2623 8326 3246 1 1 1 1 6376 6508 1 1 1 1 1 1 1 5478 16103 16395 8153 4961 9919 10084 1 1 6281 12192 1 1 1 1 14673 29704 979.0405 *979.9806* 979.9806@1.2318283 2529 2639 1 1 1 1 3163 3317 4257 4347 1 1 4253 3983 2985 2641 2439 2063 1 1 1 1 1 2920 2554 2109 1 1 1 1 1 1 1 1 2543 2584 1 1 54441 1 1 1 16393 14262 1 1 1 1 3674 3414 5013 7977 4329 3726 1 1 3278 3237 2654 2521 2068 2217 1 1 1 1 2385 2742 3130 3320 4505 4736 1 1 4955 4154 3141 3295 1 1 1 1 3616 3648 9590 9436 2935 2901 2627 2993 979.9806 *979.9812* 979.9812@0.7239585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3676 1 1 1 979.9812 *979.9817* 979.9817@13.479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.9817 *979.9818* 979.9818@0.6908804 1 1 1 1 1 1 1 1 8704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2642 5088 1 1 1 1 1 1 1 1 1 1 2290 1 1 1 1 1 1 11287 1 10870 1 9483 6687 1 4407 3907 5063 1 4551 2554 4061 8068 1 1 1 8297 1 1 1 3203 10087 2475 10435 1 1 8453 10926 2504 1 2147 1 6160 1 1 1 10143 1 1 1 6906 10736 2576 6623 979.9818 *979.9819* 979.9819@3.7946062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4600 1 1 1 1 979.9819 *979.982* 979.982@14.692921 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.982 *979.982* 979.982@2.1848378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4196 1 1 1 1 1 979.982 *979.9827* 979.9827@1.0915351 1 1 1 1 1 1 1 1 1 1 1 1 54656 1 1 1 1 1 1 1 1 1 1 43708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.9827 *979.9837* 979.9837@1.0410953 364254 356561 246260 248782 166068 172665 377198 373951 458545 463827 273730 273583 348928 407284 342780 350774 310966 305420 223003 226653 254878 250360 339281 303140 323991 328700 224484 222379 209296 212084 191399 195510 62586 63711 320240 315226 266095 258668 154274 207548 246220 249438 732627 737331 207485 206166 264953 263955 387363 387393 451793 450769 445334 447040 209192 211320 354960 355892 338388 344091 346073 349295 78271 73946 231055 234937 352758 352352 348294 346444 424288 427390 181633 175642 398710 406363 425641 435733 186825 183055 204477 204468 437842 438514 517231 509530 356946 357499 316027 314562 979.9837 *980.1686* 980.1686@0.908566 1 1 1 1 1 1 1 1 1 1 3300 3625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4078 1 1 3983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 980.1686 *980.3011* 980.3011@8.39316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5528 5700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6965 7357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 980.3011 *981.0128* 981.0128@0.69248796 1 1 1 1 1 1 5717 1 1 1 1 1 1 1 1 1 1 2459 1 1 1 1 1 1 1 1 8048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 2481 1 1 1 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 8715 1 1 1 3394 1 1 1 1 1 981.0128 *981.0161* 981.0161@14.758653 1 1 1 1 1 1 1 1 1 1 8663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0161 *981.0162* 981.0162@2.8906724 1 1 1 1 3370 1 1 1 1 1 4616 1 1 3094 1 1 1 1 1 1 1 1 11954 1 1 1 1 1 1 5487 1 1 1 7836 1 1 1 1 2700 1 1 1 1 3523 1 1 1 5989 3379 1 1 1 1 1528 1 1 1 1 1 1 14477 6611 1 14012 1 12147 1 1 1 1 1 1 6635 1 1 1 1 3477 1 1 1 1 1 1 16347 1 1 1 1 1 981.0162 *981.0165* 981.0165@1.2375414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 4874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0165 *981.0175* 981.0175@2.8068569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5852 1 1 1 1 1 1 2993 1 1 1 4752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3985 4486 1 1 1 1 1 1 1 1 1 1 1 981.0175 *981.0177* 981.0177@2.8346653 12747 11488 11875 14107 14233 13869 13815 13163 16484 14098 4200 14836 10620 10325 8458 17809 15534 11234 11501 13342 13570 13953 1 11497 13179 15289 12190 14744 15967 3615 16097 15361 14694 1 15784 15826 15534 1 12860 12745 11017 14460 14526 13455 15303 13416 11527 9889 11379 14645 12049 13812 17014 14357 16213 9514 14551 16334 11607 15527 1 9566 14744 1 12675 1 15184 13772 14393 15937 10600 13523 11871 11073 15937 11849 7770 6510 5974 12207 12821 11347 13288 13709 1 14482 1 1 12117 11578 981.0177 *981.0187* 981.0187@13.59984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3651 1 1 1 1 1 1 1 1 3613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.0187 *981.9867* 981.9867@1.0160605 1 1 1 1 1 1 1 1 1 1 9898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 981.9867 *982.0216* 982.0216@13.558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 982.0216 *983.992* 983.992@11.316546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10970 1 1 1 1 1 1 1 1 1 1 1 11290 1 983.992 *983.9933* 983.9933@13.389302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7968 1 12996 16486 1 1 1 1 1 1 1 1 1 1 158475 12100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11741 1 1 1 1 1 1 1 1 1 18439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9933 *983.9934* 983.9934@10.583201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7600 1 11545 19135 1 1 1 1 1 1 1 1 1 12709 1 1 1 1 1 1 1 1 1 1 1 15082 1 1 1 13528 1 1 1 18137 8931 1 1 1 1 14046 1 1 1 1 1 1 1 1 12649 1 1 1 1 12347 1 1 983.9934 *983.9935* 983.9935@2.35001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9935 *983.9936* 983.9936@14.615751 1 1 1 8134 1 1 6719 1 1 1 27721 11681 1 1 1 1 1 1 1 1 21544 1 13564 1 1 1 1 1 1 9542 1 1 13516 1 9773 1 1 1 1 1 1 1 1 9753 11937 1 1 1 1 1 1 1 1 1 10859 1 14813 1 15458 1 1 1 9014 1 1 1 15405 26069 1 13960 1 1 1 1 1 1 1 1 9462 1 1 1 1 1 1 1 1 1 1 10548 983.9936 *983.9936* 983.9936@1.0722345 7898 1 1 1 1 1 1 1 1 1 10074 1 1 1 1 1 11864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9936 *983.9937* 983.9937@4.6790795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9937 *983.9938* 983.9938@8.678627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9938 *983.9939* 983.9939@4.689185 1 1 1 1 1 1 27214 31132 1 1 1 1 1 1 49921 1 1 1 1 1 1 1 1 1 23698 1 1 1 1 1 1 1 33264 1 1 1 15559 1 16422 1 1 1 1 1 1 1 1 1 1 1 1 14738 1 1 1 1 1 1 1 1 1 1 38888 1 1 1 1 33369 1 20948 1 1 30945 1 1 1 1 1 1 1 14010 1 1 1 1 1 22155 1 1 1 983.9939 *983.9939* 983.9939@5.2569623 49704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9939 *983.9939* 983.9939@4.009126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9939 *983.994* 983.994@2.1729207 1 1 1 1 1 1 1 1 1 27591 1 1 1 1 1 23200 24625 1 1 24709 13216 1 1 38790 29794 1 1 31132 29806 1 28351 31852 1 1 1 1 16455 23463 1 1 26316 28370 1 25648 27024 27929 21448 1 1 35359 29191 25618 29646 26403 1 1 14190 1 1 1 20245 21544 1 1 1 1 1 1 1 23105 1 1 1 1 1 1 31728 1 1 1 1 1 1 1 1 1 1 1 1 1 983.994 *983.994* 983.994@1.5532364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14743 1 1 11882 1 1 1 1 1 10875 1 1 1 1 1 17205 1 1 1 1 1 1 1 983.994 *983.994* 983.994@3.5837529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.994 *983.9941* 983.9941@11.955863 1 10019 1 1 1 1 1 1 1 1 7710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9496 1 1 1 1 1 1 1 1 1 1 8697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13501 1 1 983.9941 *983.9942* 983.9942@0.66661143 1 1 1 1 1 16967 1 1 1 1 13487 1 1 36378 1 1 1 43707 1 1 19316 1 1 1 1 1 1 1 1 12382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14518 21749 1 1 1 1 1 1 13106 11287 1 1 1 1 1 1 1 1 1 20829 1 1 1 1 1 95902 1 1 1 1 1 1 1 1 14744 1 1 1 1 1 1 983.9942 *983.9942* 983.9942@3.3566031 1 1 1 1 1 1 1 1 22460 1 1 21321 45971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8728 1 1 1 1 1 32699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8326 31711 1 11928 1 1 1 1 31465 29437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20287 1 1 1 1 1 22959 26087 1 20236 983.9942 *983.9943* 983.9943@0.713057 1 1 1 1 1 1 1 1 74932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74246 69039 1 15404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17186 1 1 1 1 1 63543 1 39506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17011 57784 57941 44562 1 1 1 1 1 63884 61813 1 64975 1 1 983.9943 *983.9943* 983.9943@1.9396845 1 1 1 1 15672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22367 1 1 15561 1 21954 1 1 1 1 1 1 1 1 11119 13544 1 1 1 1 1 1 20861 1 1 1 19460 1 1 1 1 1 1 1 1 1 1 23715 1 1 1 1 33099 1 1 1 1 1 1 17044 1 1 1 1 10075 16698 1 1 1 1 983.9943 *983.9944* 983.9944@13.817639 1 1 1 1 1 9710 1 1 1 1 1 1 14142 15750 1 1 1 7699 1 1 1 1 1 1 1 1 1 1 17640 65006 1 1 1 1 15910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17058 1 1 14005 1 1 12593 1 1 1 1 1 1 1 1 1 13836 1 9816 9868 1 9694 20693 1 1 1 7090 1 1 1 1 1 17086 1 1 10817 1 1 983.9944 *983.9944* 983.9944@9.776581 1 1 1 1 1 1 1 1 1 1 1 1 26597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9944 *983.9945* 983.9945@0.73493135 46847 30103 47920 55529 51931 41214 47109 1 1 31463 38116 1 38698 36318 1 50870 43777 34552 35104 60158 47046 1 64503 27277 65842 40848 1 1 39388 26677 65744 41345 44168 60379 41105 68908 44219 68668 1 1 67111 69140 30149 32011 77369 1 37467 62301 37954 67046 37710 41317 39297 49646 64377 40523 1 43789 1 63693 25785 1 34349 56555 1 30193 62452 1 1 59130 47754 1 33725 1 1 21130 1 1 1 63564 1 32280 25851 1 1 1 59627 1 1 1 983.9945 *983.9945* 983.9945@2.9684339 1 1 1 1 1 1 30029 35734 1 1 1 1 17684 1 1 27847 1 1 14829 1 1 1 1 1 1 1 1 1 1 8889 1 1 1 44292 1 1 1 1 1 40246 1 1 1 1 1 1 23138 16647 1 1 1 1 1 1 1 1 25883 1 14490 18347 1 1 36199 1 1 1 1 1 1 1 38199 1 1 1 1 1 1 1 1 1 1 8522 1 51827 1 1 1 1 25173 25242 983.9945 *983.9945* 983.9945@3.7927132 1 1 1 23724 26824 20098 1 1 1 32668 10198 37739 1 1 31270 18445 1 1 36611 1 19912 1 32807 1 19600 34385 28565 1 1 1 15377 38725 27303 1 27582 1 26720 22606 26495 39039 34814 1 1 1 31523 1 33412 29117 1 1 27267 35605 1 23223 1 1 34139 26719 1 23883 1 28156 1 1 1 1 27369 1 21383 33487 1 27170 1 1 20623 1 1 1 1 1 1 1 1 23899 1 27186 1 1 1 23931 983.9945 *983.9947* 983.9947@0.90532535 1 1 9923 1 1 1 15995 18132 1 14936 15189 13082 1 1 1 1 1 1 1 1 1 1 1 1 19535 1 1 25269 1 10554 1 1 1 1 1 1 1 1 1 1 1 1 1 22199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12239 1 1 1 1 1 1 1 10913 1 24789 1 13467 1 1 17025 1 24064 1 1 1 1 18139 10885 1 1 1 1 1 983.9947 *983.9947* 983.9947@2.4494643 18885 1 24495 1 19603 13892 27078 1 36823 20533 1 1 1 1 20299 18573 1 1 1 17372 1 29891 1 1 1 9022 1 26661 1 11391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8639 16382 19189 18644 1 1 27946 31038 1 1 14251 1 1 1 1 29109 1 1 1 1 20045 1 1 1 1 1 1 21475 1 11490 1 1 1 1 1 1 1 1 1 1 1 1 983.9947 *983.9947* 983.9947@9.85737 1 1 1 1 1 1 1 1 1 1 1 1 13611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11338 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9947 *983.9947* 983.9947@1.9649643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9947 *983.995* 983.995@1.2378309 1 1 10808 1 1 1 1 11471 1 1 1 1 13210 1 1 10943 11742 1 1 1 1 1 1 1 1 1 1 13167 1 1 1 1 1 1 1 1 1 1 1 1 1 12812 1 1 10332 9937 1 1 1 1 1 1 1 1 1 12075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.995 *983.9963* 983.9963@14.456001 1 1 1 1 1 1 9809 1 1 1 97007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6593 1 1 1 1 1 1 1 1 1 1 1 983.9963 *983.9963* 983.9963@14.543869 1 1 1 1 1 1 1 1 1 1 47636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13924 1 1 1 1 1 1 1 1 1 1 1 983.9963 *984.9955* 984.9955@2.985418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9955 *984.9956* 984.9956@14.747587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9956 *984.9962* 984.9962@2.3198318 1 1 1 1 1 1 3995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9962 *984.9964* 984.9964@0.7304847 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 9473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4335 984.9964 *984.9966* 984.9966@4.739843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9966 *984.9975* 984.9975@8.441269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9975 *984.9987* 984.9987@0.68894213 1 2860 1 1 6030 3472 1 1 1 5938 1 1 1 1 2263 1 1 1 7724 1 1 1 1 1 1 1 5187 1 1 3000 1 1 1 1 1 4604 1 1 1 7667 4174 1 1 1 1 1 7806 1 1 1 1 1 1 1 5459 1 1 1 1 1 1 4091 1 1 1 1 1 5197 1 1 1 1 1 2442 1 1 1 4290 4252 1 1 1 1 1 1 1 1 1 1 2479 984.9987 *985.8339* 985.8339@0.81999135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3233 1 1 1 1 1 1 1 1 1 1 1 1 4572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.8339 *985.8485* 985.8485@0.8220037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3663 1 1 1 1 1 1 3765 1 1 1 1 1 1 1 1 1 1 1 4846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3737 1 1 1 1 1 1 1 1 1 1 1 1 985.8485 *986.1779* 986.1779@0.90386724 3265 3297 1 1 1 1 1 1 1 3029 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2915 3084 1 1 1 1 1 3405 3048 1 1 3184 1 1 3160 1 1 1 3148 1 1 3181 3101 3095 1 1 1 1 1 1 1 2579 1 2883 2976 3207 3277 2864 2886 1 1 1 1 1 1 1 2761 1 2732 1 1 1 1 1 1 3241 2970 1 1 3308 3022 3362 3286 986.1779 *986.3179* 986.3179@8.3896885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17854 17887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27014 26839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 2394 1 1 1 1 1 1 1 1 1 1 38924 37312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 986.3179 *987.8146* 987.8146@0.8220023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 987.8146 *987.8408* 987.8408@0.8233864 4335 3289 1 1 1 3565 1 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4074 1 1 1 1948 3840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4586 1 3128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1792 1 1 1 1 1 1 1 987.8408 *987.8517* 987.8517@0.82099456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 987.8517 *988.0156* 988.0156@13.485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 988.0156