Group1_11 Group1_11 Group1_12 Group1_12 Group1_13 Group1_13 Group1_14 Group1_14 Group1_15 Group1_15 Group2_21 Group2_21 Group2_22 Group2_22 Group2_23 Group2_23 Group2_24 Group2_24 Group2_25 Group2_25 Group3_31 Group3_31 Group3_32 Group3_32 Group3_33 Group3_33 Group3_34 Group3_34 Group3_35 Group3_35 Group1_6 Group1_6 Group1_7 Group1_7 Group1_8 Group1_8 Group1_9 Group1_9 Group1_10 Group1_10 Group2_16 Group2_16 Group2_17 Group2_17 Group2_18 Group2_18 Group2_19 Group2_19 Group2_20 Group2_20 Group3_41 Group3_41 Group3_42 Group3_42 Group3_43 Group3_43 Group3_44 Group3_44 Group3_45 Group3_45 Group1_1 Group1_1 Group1_2 Group1_2 Group1_3 Group1_3 Group1_4 Group1_4 Group1_5 Group1_5 Group2_26 Group2_26 Group2_27 Group2_27 Group2_28 Group2_28 Group2_29 Group2_29 Group2_30 Group2_30 Group3_36 Group3_36 Group3_37 Group3_37 Group3_38 Group3_38 Group3_39 Group3_39 Group3_40 Group3_40 Mass Compound 11jun12_15-r001(raw) 11jun12_15-r002(raw) 11jun12_16-r001(raw) 11jun12_16-r002(raw) 11jun12_17-r001(raw) 11jun12_17-r002(raw) 11jun12_18-r001(raw) 11jun12_18-r002(raw) 11jun12_19-r001(raw) 11jun12_19-r002(raw) 11jun12_20-r001(raw) 11jun12_20-r002(raw) 11jun12_21-r001(raw) 11jun12_21-r002(raw) 11jun12_22-r001(raw) 11jun12_22-r002(raw) 11jun12_23-r001(raw) 11jun12_23-r002(raw) 11jun12_24-r001(raw) 11jun12_24-r002(raw) 11jun12_25-r001(raw) 11jun12_25-r002(raw) 11jun12_26-r001(raw) 11jun12_26-r002(raw) 11jun12_27-r001(raw) 11jun12_27-r002(raw) 11jun12_28-r001(raw) 11jun12_28-r002(raw) 11jun12_29-r001(raw) 11jun12_29-r002(raw) 11jun12_31-r001(raw) 11jun12_31-r002(raw) 11jun12_32-r001(raw) 11jun12_32-r002(raw) 11jun12_33-r001(raw) 11jun12_33-r002(raw) 11jun12_34-r001(raw) 11jun12_34-r002(raw) 11jun12_35-r001(raw) 11jun12_35-r002(raw) 11jun12_36-r001(raw) 11jun12_36-r002(raw) 11jun12_37-r001(raw) 11jun12_37-r002(raw) 11jun12_38-r001(raw) 11jun12_38-r002(raw) 11jun12_39-r001(raw) 11jun12_39-r002(raw) 11jun12_40-r001(raw) 11jun12_40-r002(raw) 11jun12_41-r001(raw) 11jun12_41-r002(raw) 11jun12_42-r001(raw) 11jun12_42-r002(raw) 11jun12_43-r001(raw) 11jun12_43-r002(raw) 11jun12_44-r001(raw) 11jun12_44-r002(raw) 11jun12_45-r001(raw) 11jun12_45-r002(raw) 11jun12_47-r001(raw) 11jun12_47-r002(raw) 11jun12_48-r001(raw) 11jun12_48-r002(raw) 11jun12_49-r001(raw) 11jun12_49-r002(raw) 11jun12_50-r001(raw) 11jun12_50-r002(raw) 11jun12_51-r001(raw) 11jun12_51-r002(raw) 11jun12_52-r001(raw) 11jun12_52-r002(raw) 11jun12_53-r001(raw) 11jun12_53-r002(raw) 11jun12_54-r001(raw) 11jun12_54-r002(raw) 11jun12_55-r001(raw) 11jun12_55-r002(raw) 11jun12_56-r001(raw) 11jun12_56-r002(raw) 11jun12_57-r001(raw) 11jun12_57-r002(raw) 11jun12_58-r001(raw) 11jun12_58-r002(raw) 11jun12_59-r001(raw) 11jun12_59-r002(raw) 11jun12_60-r001(raw) 11jun12_60-r002(raw) 11jun12_61-r001(raw) 11jun12_61-r002(raw) HMP ID KEGG ID Mass *55.0041* 55.0041@2.0246847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3969 1 1 1 1 1 1 1 1 55.0041 *55.0047* 55.0047@4.0007615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 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 5724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55.0047 *55.0048* 55.0048@5.341179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55.0048 *55.005* 55.005@13.264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2757 1 1 1 1 1 1 1 1 1 1 55.005 *55.005* 55.005@5.3898516 1 1 1 1 1 1 5482 1 2258 1 1 6137 7953 1 1 1 1 1 1 2879 1 1 1 1 1 1 4143 1 1 1 1 1 5375 1 1 2818 1 1 1 1 1 6476 9837 10217 1 1 1 1 1 1 1 1 7126 1 1 13040 1 11052 1 1 4856 1 1 1 1 9932 1 1 1 1 1 6586 1 1 1 1 1 4633 7940 1 1 1 1 1 15662 8435 1 7633 1 6001 55.005 *55.0051* 55.0051@5.338188 1 1 1 1 1 1 1 1 1 1 1 3043 2394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 3941 1 1 1 1 1 1 1 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4628 1 1 55.0051 *57.0575* 57.0575@3.4491572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57.0575 *57.0579* 57.0579@3.3566506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7480 6785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57.0579 *57.0582* C3 H7 N 1144 1109 2253 1917 12168 12128 4374 3938 1 1 2587 2317 1 1 1 1 3012 3132 1499 1274 2466 2945 1 1 1 1 3841 5032 1 1 4507 4287 2806 2616 1735 2308 2107 1713 3124 2783 7693 8254 3477 3496 1682 1419 3045 3164 3616 3690 1178 1231 1618 1463 1 1249 3551 4175 1 1 3386 3814 2857 3344 3473 4045 4870 4625 1736 1760 1 1 2485 2381 3254 3268 1369 1256 1 2225 2523 2442 1 1 4186 4963 5372 5439 2386 1 57.0582 *57.0583* 57.0583@5.7570186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 57.0583 *58.0424* 58.0424@1.2393236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2888 1 1 1 1 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 58.0424 *58.0435* 58.0435@1.2385584 1 1 1 1 1 1 1 1 1 1 2828 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 1912 2195 1 1 1 1 1 1 2807 1 1 1 1 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1735 1 1 1 1 1 1 1 1 1 3730 58.0435 *58.0489* 58.0489@1.2326888 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0489 *58.0534* 58.0534@4.972367 1 1 1 1 5173 1 1 1 1 1 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23700 1 1 1 1 1 1 1 1 5872 1 2039 1 4255 1 1 1 1 1 1 1 1 1 1 1 5940 1 1 1 1 1 1 1 1 1 1 1 5259 1 1 1982 23487 1 8854 1 1 1 1 1 1 1 1 1 1 4545 1 1 1 1 1 1 1 1 1 1 58.0534 *58.0535* 58.0535@4.9388585 9993 1 1 1 5355 1 1 1 1 1 2132 1 3531 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 3732 1 5286 1 5279 1 8989 1 1 1 1 22719 1926 1 1 1 1 1 1 1 1 1 1 1 6574 1 1 1 10112 1 1 2373 2409 1 5725 1 1 1 1 1 1 1 10418 1 1 10990 1 1 1 1 1 1 1 1 12057 1 58.0535 *58.0535* 58.0535@5.4038205 1 3244 1 16223 1 1 1 3053 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 6241 1 1 23341 1 1 3525 1 1 1 1 19087 3465 1 1921 2132 1923 7089 1 3126 5281 2689 1 1 4131 1 1 22270 2459 1 1 1 1 17110 1 1 6871 2458 1 1 1 1 1 1025 3411 1 17111 17498 1 2201 1 1 4010 1 2328 1 1 15109 3552 1 1 1 5288 5367 1 1 1 1744 58.0535 *58.0535* 58.0535@4.8980627 1 1 1 1 1 1 1 1 1 1 5296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2989 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 10674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0535 *58.0535* 58.0535@5.51873 1 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 1 1 1 1 1 1 1 1 2788 1 1 1 2627 1 1 1 1 1 1 1 4054 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 58.0535 *58.0535* 58.0535@5.761797 1 3287 1 1 1 1 1743 1 1 1 1 1 2870 1 1 1 1 1 1 5599 2472 1 1586 5072 1 1502 1 1 1 1 1 1 1 1 1 1 3408 5955 4203 1 1 1 1 1 1 1 2870 1 1 1 4051 1 1 1 1 1 1 1 1 1 1154 1 2133 1987 1672 1 1 1 1603 1942 1947 1 1 1 1 1 1 1 1814 1 1 1 1370 1537 3123 1 1 1 1378 1 58.0535 *58.0535* 58.0535@4.846959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0535 *58.0536* 58.0536@4.6087117 1 1 1 1 1 1 1 1 1 1 7919 1 4209 1 1 1 1 1 1 1 1 1 1 1 1 5831 1 1 1 1 1 1 1 1 4183 1 9720 1 7878 1 1 1 1 1 1 1 24745 1 1 1 1 1 1 1 1 1 1 1 14417 1 1 1 1 1 1 10159 1 1 7750 1 1 1 1 10519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0536 *58.0537* 58.0537@4.438642 1 1 1 1 8685 1 1 1 1 1 1083 1 9584 1 1 1 1 1 1 1 1 1 1 1 1 13113 1 1 1 1 1 1 1 1 8114 1 4094 1 7330 1 1 1 1 1 1 1 1 1 1 1 3316 1 1 1 1 1 1 1 7112 1 1 1 1 1 1 1208 1 1 5886 1 1 1 1 8165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0537 *58.0537* 58.0537@4.6909146 1 1 1 1 1 1 1 1 1 1 3420 1 12476 1 1 1 1 1 1 1 1 1 1 1 1 3730 1 1 1 1 1 1 1 1 3846 1 3932 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 3670 1 1 3929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0537 *58.0537* 58.0537@5.6438766 1 1 1 1 1 1 1 1 1 1 3199 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 5815 1 1 1 1 1 5384 1 2597 1 1 1 1 4123 1 1 1 1 1 1 1 3677 1 1 1 1 7879 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 1476 2782 1 1 1 1 1 1305 58.0537 *58.0537* 58.0537@4.59671 1 1 1 1 1 1 1 1 1 1 5678 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 14753 1 1 1 1 1 1 1 1 4450 1 6368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0537 *58.0537* 58.0537@4.4182906 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.0537 *58.0539* 58.0539@6.8735075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 58.0539 *58.0607* 58.0607@6.3100386 1 1 1 1 1 1 2769 3667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3849 3514 1 1 3929 3170 1 1 1 1 1 1 1 1 6571 6891 3296 2627 1 1 1 1 3009 2776 1 1 1 1 1 1 1 4255 1 1 1 1 2757 3628 4692 1 5132 3942 1 1 1 1 3020 2590 1 2924 1 1 3219 1 1 1 1 1 4494 1 5081 5242 1 1 58.0607 *58.065* 58.065@6.3139677 1 1 1 1 12290 11994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58.065 *59.0371* 59.0371@0.70647496 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 1565 1 1 1 1 1 1 1 1 1 1 1 59.0371 *59.0371* 59.0371@0.9625334 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 1 1220 1 1 2415 1 2439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1656 1 2300 1 1 1 1 1 3144 1 1 1 59.0371 *59.0372* 59.0372@2.2517452 1295 1 1692 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1673 1 1 1 1 1 1 1 1 1 1600 1111 1275 1 1 1 1 1 1 1 2756 1 1 1 1 1 1 1 1 1 1 1436 1 1 2090 1407 1 1 2846 1 1 1 1 1 1 1 1 1640 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 3295 1345 3072 1 59.0372 *59.0372* 59.0372@0.9083865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0372 *59.0373* 59.0373@0.8567295 1 1 2413 1848 1 1 1 1861 1 1 3210 1 1 1 1665 1 1 1 1 1666 1 1 4703 1939 4321 1 1 1 1 1 5364 1428 1 1217 1 1 1 1 4272 2287 1 1 1 1 2001 1 1 1 1 1 1 1 1 1 2527 1050 2615 1 1059 1 2324 4462 1 1 1 1873 1 3775 4318 4559 1 3618 1 1 1 1 3338 2019 2361 2681 3925 1 1 1 1 1515 1660 1 1 2334 59.0373 *59.0373* 59.0373@1.6063138 1451 3215 1 1 1 1844 1 1598 1 1 1342 1375 3843 1 2031 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 2523 1 1 2133 1 1 1 1 1 2363 1497 1 1 1 1 1 1 2950 1 2154 1478 1 2135 2258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 1 1 2723 1 1 4520 1 6206 3577 1 1 1 59.0373 *59.0373* 59.0373@1.860214 1 1 1 1 1 1631 1 1 1 1 1 1 1 1734 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 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 3232 2002 1 1 1 59.0373 *59.0374* Acetamide 1 2770 1 1 1 1600 4656 1 1 1 1 1 1 1012 1 1 1 1 3705 1 1 1 1 2861 4607 1544 1 1 4384 1 1 1 1609 1 1777 1 1 3469 4153 1 6400 1 1 2894 1 3324 1 5907 1 1 2548 1 6615 1 2345 1 1 2954 1 2630 1 2353 2401 1 1 1 1 1 1 2019 4809 1 1 4548 1 5038 3348 1681 2211 3062 4759 6242 1288 1 4947 1543 1750 1 1 1835 59.0374 *59.0374* Acetamide + 2.171166 6778 1 3263 1898 2302 1 1 1768 1 2127 1 1 1 1 1364 1 1 1822 1 1555 2205 1 1 1472 1 1 1 1 2956 1 6271 1 3536 3469 5551 1812 6520 3776 2475 1 1 1 1 2033 1 2280 1 1 1 1 1 2713 2425 1 1891 1 1 5016 2564 1 1430 2742 1 1 1 1 1 1 1 1 4832 1 4422 3006 3362 1521 1920 1 1 1616 1 2159 1 2239 1 1 3998 7082 1610 8229 59.0374 *59.0374* 59.0374@2.9944775 1 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1483 1 2655 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1158 1 1 1 1 1782 1 1 1 1 1 1 3439 1851 1 1 1 7124 1 1269 1724 1 3351 59.0374 *59.0374* 59.0374@1.6931295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2574 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1804 1 1 2465 1731 1 1 1 3933 1 1 1 1 59.0374 *59.0375* 59.0375@1.2504603 1 1 2680 1096 1 2391 1 3409 2758 1 1 1 3750 3612 1 1 1 1 2266 1 1 1 1 2019 1 1 4307 1 1 1 1 1 2332 1 1 3711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1876 1 2905 2191 1 2085 2124 1136 1 3045 1668 1 1 1284 1 1 1 1 1 1 3190 3557 1942 1 3478 1997 2851 1 1 3500 4331 1 1 1 3184 59.0375 *59.0375* Acetamide + 2.8501768 1 1858 1156 1 1 1 1444 1 1 1 1 3635 2478 3324 2484 1 1940 3103 4400 1 2999 3930 1278 1 1 2913 1901 1927 1522 3733 4754 1503 2901 2468 1 1930 1 1 6368 6291 1 1 3352 1 2036 1790 5632 1 1 1 1 1813 4148 1 2983 4221 1 1872 2262 1665 1 1 2859 1827 1 1 2780 1 5514 1887 1 1 2973 5895 1 3796 1 3607 1 1919 1 1 1 1 1 1 1834 1 1 1 59.0375 *59.0375* 59.0375@2.8952727 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 1 1 1 1939 1592 4459 1680 1 1 2565 1 1 1 1 2019 1 1 1 1 1 1893 1 1 1 1 1 1 1 2063 1 1 1 1 1 1 1 2980 1 6606 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 2113 3883 1 1 1 1 1 5859 1591 1 1 59.0375 *59.0375* 59.0375@3.1789052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1584 1 1 1 1 1 1 1894 1 1 1 1 1570 1 1 1 1906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1955 1 1 1 2504 1 1 1472 1 1432 1 1 1373 1 1 59.0375 *59.0375* 59.0375@1.2804106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 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 1 1 1 1 59.0375 *59.0375* 59.0375@1.7348645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6845 1 1 1160 1 1 1 1 1981 1 1 1 1 59.0375 *59.0375* 59.0375@2.013862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 3793 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0375 *59.0376* 59.0376@1.4505924 2119 1 1 1416 1 1 1 1 3704 1 1 1 3625 1 1 2529 1 1 1 1563 1 2235 1 1 1 1 1 1 1 1 1 2254 4140 3212 1 1515 1 1 1 4007 1 1 1 1 1 1 3999 3364 1748 1 1975 3244 2637 1 1 2049 1 1555 1777 1 2745 1351 3204 1 3474 1 1 2592 6222 1 1 1 1 1 2160 3140 2318 1666 2543 2152 1800 3638 1 1 1 1 2872 1 2711 1 59.0376 *59.0376* 59.0376@3.899123 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1612 1 1 1305 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2361 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0376 *59.0377* 59.0377@2.1955464 1 1 1 1 1 1 1 1 1 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 2432 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3862 1 1 1 1 1 1 1 1 1 4131 1 1 1 59.0377 *59.0379* 59.0379@3.6106377 1 1 1 1 1 1 1 1 1 1 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 1343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0379 *59.0387* 59.0387@9.879521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0387 *59.0505* 59.0505@4.9178376 1 1 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 2829 1 1 1 1 1471 1 1 1 1 1 1 1820 1 1 1 1 1 2283 1761 1 1653 2076 1 1 1 1 1 1 1 1 1 1 1 1 1490 2693 1 2098 1 2982 1 1 1 1 1 1 1 1 1 1889 5448 6410 2882 1 1 1 3045 1 1 2613 1 1 59.0505 *59.0536* 59.0536@4.9316897 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 1367 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59.0536 *59.0732* Trimethylamine 1 1 1632 1757 1012 1 1386 1263 1490 1526 2015 2135 1520 1436 1296 1598 1839 1 2054 1859 1288 1234 1514 1281 1237 1 1965 1975 1154 1176 2057 2354 1397 1263 1302 1510 1786 1578 2265 2124 1437 1930 1491 1410 1344 1600 2087 2035 1556 1576 1420 1375 1539 1332 1700 1566 1528 1022 1336 1368 2350 1838 3014 2385 1856 1806 1738 1909 2233 2397 2105 2192 1675 1651 1779 1745 1798 2156 3698 3649 2037 2223 2081 2327 2107 1886 2688 2805 1614 2092 HMDB00906 C00565 59.0732 *60.0304* 60.0304@0.6102791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0304 *60.032* 60.032@3.3310895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.032 *60.0321* 60.0321@2.9637814 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 1 1 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 1 1 1 1 1 60.0321 *60.0322* 60.0322@3.7284389 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0322 *60.0324* Urea 942140 955265 1306393 1324822 1206946 1211609 1228039 1230636 1047568 1057038 1464340 1470035 970050 979653 943669 935256 942426 946909 1140736 1123885 1204463 1195524 1016214 1029707 1273301 1274328 1869607 1893080 1214257 1227333 1282385 1285659 1083180 1075864 1263388 932236 1047179 1064096 1227873 1037400 1092333 1103286 1127698 1108555 1145611 1137539 1507371 1525260 1396309 1394523 1326702 1320666 1075037 1051580 1414836 1409536 1256844 1267284 1187747 1180127 1556519 1567194 1480186 1506377 1419318 1444781 2415356 2424923 1504323 1522243 1394333 995109 1545793 1521891 1356751 1368686 1476160 1485232 1583450 1613617 1595706 1590289 1591163 1631872 1787547 1806017 1909493 1885926 1181296 1181407 HMDB00294 C00086 60.0324 *60.0324* 60.0324@2.214155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4981 1 1 1747 1 1 1 1 1 1 1 1 1 1580 2322 1 1 1 1 324091 2033 1 1 3426 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417709 1 3370 1 1 1 1 1 3641 1 1 1 1 1 1912 1 1 1 1 60.0324 *60.0326* 60.0326@3.9330351 1 1 1 1 1 1 1 1 1 1 1318 4856 3540 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 3005 1 1 1 1 1 1 1 1 1 2010 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 3129 1 1 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 3037 1 1 1 1 1 1 1 1 1 1 60.0326 *60.0327* 60.0327@13.162752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4605 1 1 8012 1 1 1 1 1 1 1 1 2900 1 1 1 1 1 1 3814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0327 *60.0327* 60.0327@2.0622165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0327 *60.0329* 60.0329@2.1132648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60.0329 *61.0337* 61.0337@2.0606265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 4704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61.0337 *61.053* 61.053@1.7891892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1768 2067 2193 2258 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61.053 *61.0531* Ethanolamine 1996 1917 1 1173 1 1188 1 1567 2444 2415 2085 2007 2202 2177 1953 1696 2280 2188 2334 2219 1619 1705 2369 2655 1549 1487 2220 1851 1386 1829 3326 2977 2527 2462 1636 1203 2480 3053 2997 2767 2163 2652 2111 2032 2217 2260 2451 2313 2379 2762 2783 3234 2667 2677 2934 2841 1377 1322 1723 1974 3248 3002 3132 2634 2608 2579 2009 2440 3533 3055 3796 3773 2359 2400 2490 2209 4012 3806 3419 3849 2961 3463 3396 3660 4203 3753 2957 2980 2689 3204 HMDB00149 C00189 61.0531 *62.0358* 62.0358@2.0150905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1369 6873 6675 1 1 1 1230 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 5101 1 4929 1 1 1 1 1 1 1 1 1 4756 1 5315 1 1443 5240 4663 1 8539 8899 5461 5492 1 1 5394 5635 4830 1111 1 1 1 1224 1 1 1 1 5865 6155 6113 6127 1 4101 62.0358 *62.0362* Ethylene glycol 3184 2970 4772 4944 4418 4210 4272 4202 3006 3537 4724 5181 3512 4087 2929 2602 3467 3396 3598 4092 4090 4234 3733 2179 3317 1 1 1 4560 3933 4570 2993 3924 3810 4051 4047 3494 1 3984 4359 3651 3853 3783 2949 4112 4131 1 4646 1 4831 4380 4575 3685 3739 4625 4795 4320 4076 1 3816 1 5575 1 1 1 4916 1 1 1 1 4357 4661 1 1 1 3599 5152 5253 5459 4317 5610 5667 5688 5656 1 1 1 1 3995 1 C01380 62.0362 *63.009* 63.009@5.504873 1 1 1 1 1 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 63.009 *63.0091* 63.0091@5.4871197 4802 4884 4601 4657 4650 4810 4488 5019 5016 5803 5739 5625 5659 5766 5484 5362 5850 5841 6347 6410 6194 5973 6060 6134 6754 6589 6997 7799 7160 4469 6984 7431 7444 6889 7608 7898 7224 7652 7025 7431 7827 8057 7365 7731 7370 7192 8685 8294 7675 7564 8726 9853 8317 8249 8393 10197 9003 8162 8155 9802 10133 9117 7500 9106 9177 8447 9985 9125 8229 8559 9242 9537 8667 9020 9552 8612 11167 9039 8737 8975 8551 7967 10322 9003 9400 9357 9999 9136 9957 8908 63.0091 *64.0314* 64.0314@1.201427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 2696 1 1 1 1 1 1 2325 1779 64.0314 *66.0216* 66.0216@0.9013357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 4054 4790 1 1 1 1 1 1 1 1 1 1 66.0216 *66.0216* 66.0216@3.0799623 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 2190 1 1993 1500 1 1 1 1 1 1 1 1 1 1988 1 1 1 1 1 1 1 1 1 1284 1044 1 1 1 1 3240 1282 1 1 1537 1 1 3111 2445 1 1581 1 1 1 1 1 1 1727 1 1 1 1376 1 1 2592 1 1822 1 1 1063 1 1 1 1 1 1 1 1 1 1241 1 1 2401 1 1 1 1 66.0216 *66.0217* 66.0217@2.9058094 1 1 1 1 1 1 1 1 1 1 1 1550 1 1 1622 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 3059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 3073 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0217 *66.0218* 66.0218@1.6540859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6532 7459 1 1 1 1 1 1 1 1 1 1 66.0218 *66.0218* 66.0218@3.458017 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 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 1288 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1422 1 1 1636 1119 1 1 1 1 1 1 1 1 1 1 1 1234 1 1 1944 1 66.0218 *66.0218* 66.0218@3.1349328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1388 1 1 1 1 66.0218 *66.0218* 66.0218@1.3560064 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0218 *66.0218* 66.0218@2.9557252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 66.0218 *66.0222* 66.0222@3.8417704 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1201 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 1650 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1073 1 1 1 2136 1 1 1 1 1 1 1 1 1 1 1 1 66.0222 *66.0222* 66.0222@1.2921358 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0222 *66.0232* 66.0232@13.125791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 66.0232 *66.0232* 66.0232@11.750543 1 1 1 1 1 1 1 1 1 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 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 66.0232 *66.0242* 66.0242@13.502827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0242 *66.0398* 66.0398@1.2050382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3956 1 1 1 1 5286 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0398 *66.0451* 66.0451@1.2008274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.0451 *66.9606* 66.9606@9.0825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66.9606 *67.0045* 67.0045@4.039699 1 2095 1 1 1 1 1 1 1 1 1754 1 1219 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1979 1 2652 1798 1 1748 1 1889 1 1 1 2732 1 1145 1797 1852 1 1 1 1 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 2335 1 2058 1 1 1 1 1 1337 1 2163 1 1 1 1 1 1019 1 1 1 1 1 2602 2591 1401 1 1856 2311 67.0045 *68.027* 68.027@2.6500645 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 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68.027 *68.0271* 68.0271@2.5791273 1827 5522 5183 4737 4784 1 4383 1 6460 2456 1 6003 3853 4824 4528 7362 1 2773 1 5737 6904 5957 1 5938 1 1 7621 1 3611 1 2518 1871 3197 4205 1975 1 6680 7576 6049 2832 7728 1 1 4296 5054 1867 4771 8055 1 1619 2617 3592 10273 9863 1 7182 5484 7356 4595 6804 1 1 9725 11323 14815 2092 2578 1 6104 5443 11102 13144 1 1 1 1 12410 12436 1 12178 8790 9472 9656 1 14797 10568 1 5558 1 10169 68.0271 *68.0272* 68.0272@2.3673327 5256 7934 1 1 3542 1 9200 1 1 3989 1 1346 1902 1 1 1629 1 8987 1 1 1 3198 2067 1844 1 1 3931 4197 1 7467 1 1 2146 2672 1 1 1510 1 3417 1 5143 1 6855 1 1 1 3033 13147 3578 1682 1 1 1 2837 1 12603 3017 2919 8408 5027 1 1 2580 3111 5165 1 1 1805 2098 2638 3933 8395 1 9868 1 1 1 13673 1 13274 2562 1 1 1 12075 1 1 1 1 5128 68.0272 *68.0272* 68.0272@2.7677722 1 10985 1 1 1878 1 1 1 1 1 1 3037 1379 4948 1871 1 1 1955 1 1 1 1 1 4698 1 1 1 1 1 1 1 1 1 2336 1 1 1659 1 5445 1 1 1 1 1 1 1 2082 1 1 1 1 3443 6993 2220 1 5265 5579 1 2710 1 1 1 1 1 1 3840 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8277 1 1 68.0272 *68.0273* 68.0273@2.4050968 1 1 1 1 3627 1 1 1 1 3233 1 1 3576 1 1 1 1 1 1 1 1 9274 1 2034 1 1 4285 1 1 1 1 1 1 1714 1 1 4631 1 1 1 1 1 1 1 1 1 2301 1 1 1 1 1 1 1723 1 1 1 1 2316 1 1 1 1 1 1 1 1 1 5375 1 1 6620 1 1 1 1 1 1 1 1 3430 1 1 1 1 1 1 1 1 3405 68.0273 *68.0274* 68.0274@2.7683637 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0274 *68.0275* 68.0275@2.7306516 1 4422 1 1 1 1 1 1 1 2830 1 2966 1506 2838 5269 1 1 3850 1 1 1 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1110 1 1 1 1 2237 1 4560 1043 2999 1 8275 1 1 1 1 1 3965 1 1 1051 5128 1 1 1 1 1 3556 4270 2457 1454 3873 1 1 1 1619 1 1 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0275 *68.0275* 68.0275@2.3786685 1 1 1 1 5001 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 2789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0275 *68.0277* 68.0277@2.052979 1 2932 2539 3001 1 1 1 1 3506 3074 2791 2549 3120 3037 3207 4168 2542 2124 1 1 2535 1270 2730 3098 3183 2561 3421 3710 1 1 2724 2776 1 1 1 1931 3151 3187 1944 1807 1271 1 1 1 1 1382 3194 1 2810 1 2983 1250 2117 1 2680 3450 1 1 2201 1009 4270 4323 1 1 3672 2761 3071 1705 3232 3427 5501 6334 1 1 1 2630 3471 3153 5023 4349 4260 4159 1 1 1778 3669 1688 2285 1 2811 68.0277 *68.0306* 68.0306@2.076097 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 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68.0306 *68.038* 68.038@3.874647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 68.038 *68.0613* 68.0613@1.2064203 1 1 1 2760 1 1 1 1 1 1 1 5244 2601 2738 3226 1 1 1 1 1 6269 6226 1 1 1 3594 3820 3278 1 3588 3466 1 1 4553 3290 1 2115 1 1 1 1 1 1 1 1 5168 1 1 1 1 1 1 1 2757 1 1 1 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 1 1 1 1 1 2439 1 1 3569 1 1 1 1 68.0613 *69.033* 69.033@1.48997 1 1 2416 3905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.033 *69.0333* 69.0333@1.4146643 1 1 2463 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69.0333 *69.0573* 69.0573@2.899149 1 1 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 2644 2021 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 1 1 2971 1 1 1 1 1 1 1 1 1 1 69.0573 *69.0575* 69.0575@1.992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 69.0575 *69.0576* 69.0576@1.9394869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5207 2369 1 1 1 1 1 1 1 1 1 1 69.0576 *69.0578* 69.0578@5.313752 2319 1380 2492 1 1 1528 1325 1 1 1 1 1 1 1 1 1929 1904 1 1 1 1224 1 1 1 1 1 1 1 1 1855 1306 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1666 1 2522 1 1 1 1 1 1728 2394 1174 1269 1794 1 2102 2180 1 1202 1 1 1 1898 2547 3580 2626 3876 1 1500 2269 1 1 2799 3731 1 1 69.0578 *69.0579* 69.0579@3.247522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21098 21355 1 1 1 1 1 1 1 1 1 1 69.0579 *69.0579* 69.0579@5.2204895 1930 1722 1 1 1311 1 1 1 1 1 1 1664 1 1 1162 1 1 1442 1 1266 1 1 1 1 1 1 1170 1 1 1 1367 1 1 1 1 1 3477 1196 1 1 1 1 1 1 1 1 1 1 1 1675 1 1142 1 1001 1 2353 1 1943 1 1 1 1 1073 2307 1733 1178 2561 2418 1664 1908 1218 2104 1521 1305 3420 1774 2177 1807 1548 1762 2051 1 1741 1 1 1 2653 3229 1 1628 69.0579 *69.058* 69.058@2.8940387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2295 3127 1 1 1 1 1 2521 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 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 1703 1 1 1 1 1 1 1 1 1 1 3509 3786 1 1 1 1 1 1 1 1 1 1 69.058 *69.058* 69.058@6.3179345 1 1 1 1 1 1 1 1 1 1 1 1037 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 1259 1 1 1 1437 1 1877 1 1 1 1 1 1 1 3682 3115 1 1 1 1 1 1 1 2393 1 1 69.058 *69.0582* C4 H7 N 1825 2265 2094 2402 1645 2495 2012 2483 2175 1691 2091 1465 1865 1940 1804 2124 2184 3326 1978 1559 2190 1802 2492 2379 2381 2660 1651 1933 1344 1273 1664 2259 1 2454 1190 1332 1 2431 1 1 1944 1 1337 2174 1900 2048 2247 2179 1595 2179 2208 1753 2083 2065 2435 2098 2541 2248 1 2150 2152 2222 1913 1545 1558 2230 2423 2098 2272 2938 2178 2422 2618 1 2132 2383 2633 2941 2521 2876 2123 1997 2121 2397 2023 1877 2248 2205 1963 2843 69.0582 *69.0583* 69.0583@5.5864687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1153 1 1 1335 1 1 1 1 1 1 1 1 1 1 1409 1 1865 1 1427 1 1 1 1 1 1 1 1 1 2058 69.0583 *70.0063* 70.0063@2.5060468 1 1 2561 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 2287 1 1 1 1 4197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2517 2299 1 1 1 1 1 1 1 1 3511 2167 1 1 1 1 3464 2900 1 1 1 1 1 1 1907 1313 1 1 2908 2702 70.0063 *70.0414* 70.0414@2.5097082 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 2874 2467 1 2398 1 1 1 1 1 1 1 1098 1 1 1 1 1 1408 1 1 1 1 2528 1 1 2764 1480 1 1 1 1 1 1168 1 1 1838 1 1 1 1 1 1925 1 1 1 1024 1 2848 2023 1 1 1 1 1714 70.0414 *70.0432* 70.0432@1.2118417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3616 1 1 3460 1 1 1 1 3927 1 3946 1 1 1 1 1 1 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 70.0432 *70.0462* 70.0462@1.2175276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0462 *70.053* 70.053@5.0078382 1 1 1 1 3636 4065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8514 8782 1 1 1 1 1 1 1 1 6368 6555 1 1 1 1 1 1 10810 11572 8753 9377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5220 4899 1 1 1 1 1 1 1 1 1 1 1 1 21337 22174 1 1 1 1 1 1 1 1 1 1 70.053 *70.0777* 70.0777@1.0150733 1123 1072 1 1499 1 1 1 1261 1349 1 1054 1 1315 1414 1240 1120 1 1 1 1 1028 1349 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70.0777 *70.0782* C5 H10 5330 5295 1913 1853 2425 2245 2749 2419 2674 2564 1807 2284 2358 5726 3172 3124 4972 1891 2825 4203 2432 6453 3655 3631 3568 2840 2051 3053 3154 3066 3031 2942 2324 3546 4856 4627 1 1 2116 2564 2989 2585 1563 2165 2063 2449 1 1 1359 1310 3499 3480 5571 5215 2745 4855 1705 1832 2512 1264 3887 3420 1170 3697 2432 3339 2253 1078 3194 2641 1 1 4167 1 4148 3930 1476 3866 2188 2761 2719 2873 3007 2739 4027 4112 1 2099 1 1467 70.0782 *71.0365* 71.0365@1.2176303 1 1 1 1 1355 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0365 *71.0368* 71.0368@1.4985772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0368 *71.0369* 71.0369@1.8302138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0369 *71.0372* 71.0372@1.7543354 3554 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 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1635 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 71.0372 *71.0372* 71.0372@4.0929685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 71.0372 *71.0372* 71.0372@1.7782897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0372 *71.0374* C3 H5 N O + 4.04327 9714 9100 9563 9627 8562 7737 9319 9190 9634 9292 10387 10860 8706 8999 8368 9133 9154 8785 10427 10365 8625 8943 9447 10260 6971 7698 9523 8831 8309 7943 9666 8408 8865 10216 9037 9157 11467 11730 10672 10431 10363 9541 8284 7964 8338 9210 9380 9557 8567 9618 8918 9146 9739 10201 8899 9413 8730 8987 11111 10428 11631 10223 11040 11562 8185 8411 11841 11295 9070 10125 11971 11073 8674 7705 9091 8807 11433 11260 10327 10074 11525 10540 9565 10493 1 12247 10136 10473 10866 10098 71.0374 *71.0376* C3 H5 N O 1710 1429 1 1986 1627 1630 2243 2324 1284 1165 1545 1926 1573 1701 1 1 1633 1677 1714 1640 1743 1551 2253 2442 1 1 1150 1 1990 2025 1579 2132 1 2503 1298 1 2927 2783 2943 2803 2502 3032 1 1909 1953 1876 1595 1 1 1148 1 1 1 1571 1582 1284 1 1040 1809 1241 1441 1346 1513 1447 1 1 1710 1 2056 2159 2395 1999 1720 1 1299 1684 2073 1 3281 3613 2703 2852 1770 1319 2354 2277 1 1 1975 1572 71.0376 *71.0728* 71.0728@1.5578177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0728 *71.0733* 71.0733@6.1712265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 71.0733 *71.0734* C4 H9 N + 1.5566423 3774 1137 4291 3773 3449 3938 4504 1 1 2006 3243 1 1744 2799 1453 3270 2953 4165 2200 3271 4286 3968 2721 1199 3364 4586 3620 2734 2805 2917 1123 1 1374 2613 1743 2862 1 1 1 1007 1 1 1 1973 1 1 1 2966 1163 1459 1 1434 1 1 1 1 3178 2416 1 1 1 2382 1 1307 2855 1 2954 1 1669 1762 1 1 1 1481 1 3158 1 1 1 1 1 1 1 1 1568 1 1 1 1212 1063 71.0734 *71.0735* 71.0735@5.2348695 16328 2598 1 7148 1261 1285 1 2335 1128 1441 4681 1 2063 1 1 1404 2821 2051 4135 3904 3006 7441 1 1 1864 1783 3866 1529 2122 1034 3946 4888 1000 1603 1317 1770 1 1 1 1 1564 1890 2094 1 1 2144 2584 1 1 1 2982 1 1 1 12022 12752 4889 6139 3468 3445 6740 11840 8447 11375 15213 17136 17337 17273 2109 18388 4315 1244 4721 2761 3807 1961 3194 1 6328 5589 1 1697 2167 2150 3296 4655 18904 22204 1 2445 71.0735 *71.0735* 71.0735@1.470823 1 2192 2246 2004 1 1 1501 1 1 1023 1779 1470 1264 2162 1498 1 1081 1503 1058 1 3385 3427 1 1 1 1 1 1 1 1 1 1 2559 2229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 2220 3903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0735 *71.0735* 71.0735@1.4726225 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0735 *71.0736* C4 H9 N + 4.951069 7390 5463 6794 7974 9097 9993 4635 1 9278 1613 1595 7262 9082 6456 8708 9209 5618 1 10320 6997 6130 9548 3991 3487 5662 5508 7167 9025 7607 6376 4591 7247 1118 1 3413 4391 1312 5544 4997 6848 7273 2960 9167 5686 4903 1 3504 2580 1 2252 10763 7327 8509 8450 19868 18554 5513 5629 9571 9701 8683 9332 8981 10008 13320 13381 12554 9982 8207 6126 17394 8064 8360 6058 9336 9451 8327 10373 10844 9584 8731 7892 5748 6098 9870 13329 13734 15417 8786 6759 71.0736 *71.0736* C4 H9 N + 5.3214555 2408 1848 1 1083 2366 5085 1336 2756 1 1466 1358 1 1 2832 2423 1 1166 1015 3332 5175 1 3180 1 1 1 2216 2797 3020 1507 1 1887 1 1691 1919 1 1115 1 1 1 1359 1 3109 1424 1 1 1 1 1 1 1 1599 5661 5015 5905 1938 1 1 2399 1 1 1 1 1 1 1 1699 1 1 20069 1 4437 3736 1 2624 3161 1 1 1 2853 2798 1 1 1 1 3075 3715 1 1 1 1 71.0736 *71.0736* C4 H9 N + 6.251112 1 1 2108 1 1918 2151 1975 1903 2071 1005 1103 1 1 1 1 1760 2949 2506 1932 1 1 1 1 1 1274 1457 2382 3138 1 1 1 1 1813 1765 1 1 1816 1276 1 1532 2056 1 2269 2077 1517 1 1 1 1137 1232 1 1567 1 1956 2066 2842 1 1 2333 1 2223 1 2286 2925 2410 1918 1538 1 1602 1662 2011 2108 2029 1 2177 2309 1 2441 1 1 2491 2277 2666 2170 3045 2773 2847 2679 1 1230 71.0736 *71.0737* C4 H9 N 1891 1 1 3930 1 2869 1 1048 1 1482 2870 1 3849 2580 1609 1 1 1 11314 2329 1 1710 1 1 1 2236 1 1 1 1 2026 4450 2329 1418 1 4162 3690 1673 1219 1 1 3330 1 1 1 1 7532 1 1 1331 1 1 2219 12731 5190 1 1 1 1 2530 1395 1 2901 1 1882 7909 1648 1 1 3722 1 1 1 1805 1298 1 2227 1 1399 1941 1 1 1 1317 1 3483 5838 1 1 2273 71.0737 *71.0737* C4 H9 N + 4.797505 1 1 1 1 1 1407 1 2586 1812 4539 2220 1 1242 1670 1 1768 1 1179 1 1 1763 1 1 1 1 1548 1 1 1 1 1 1 1281 1086 1126 1 1131 1465 1567 2179 1745 1623 1026 1857 1 1 4289 1 1 1346 1 2733 1 1 1 1 1 1 1 1684 1 3253 1 1 1578 1144 1 1 1830 1 1 1 2482 2075 2234 1 1 1616 3156 3292 1 1 1 1 1 1282 1285 1 1356 1 71.0737 *71.0737* C4 H9 N + 5.1350303 1 1846 3405 3501 2257 1147 1 5308 1 8763 7201 4713 1 1 1 2383 1452 3057 1 1796 1106 1 1 1 1 1 1772 1216 1 1 1084 1187 7788 2504 2761 2796 3021 1 3846 3568 4314 2665 4847 3489 1 1 1 1 1613 3511 1 1 11839 10472 6698 3320 4477 1 2127 3472 3167 1 3862 4567 1395 1 1 3317 1164 1 1 1541 1 1 3479 1 1 1 2625 3101 4670 2088 4641 3826 1 1 1 1 2726 1216 71.0737 *71.0737* C4 H9 N + 5.45322 1726 1652 1 1861 2823 2041 1900 1 1 3032 2405 1 3753 1 1 1 1 1183 1 1108 1209 1328 1 1 1894 1 1194 2502 1 1 1764 1 2685 1 1097 1399 1 1 1 1442 1 1 1025 2525 1 2030 1 1813 1 3220 1 3520 1086 3353 2924 4717 1131 1498 1 1355 1 2530 1 1998 1167 1814 1 2483 2585 2705 1 7189 1 1 1709 2423 1 1 1 3519 1 2121 1 3147 2344 2934 1468 2701 1285 1 71.0737 *71.0737* 71.0737@5.780381 1 1862 1 1 1101 1 1 1 1 1947 1266 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1194 1 1 1 1 1 5970 1 1 2381 1 2151 1 1 1 1 1 1 1 1 1 2026 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1088 1 1 1 3113 1 1 1 1 71.0737 *71.0737* 71.0737@5.168421 1 1 1 1 1 3717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.0737 *71.0738* 71.0738@4.6676126 1 2767 1 1 1 1569 1 1 3213 2397 1255 1 1 1 1326 1 1 1 1 1 2236 1656 1311 1 1 1 1 1 6394 1 3168 1436 1254 2240 1 1 1301 1 1 1 1 1391 1631 1 1 1 1032 1 1 4390 1 1 2450 1 6120 1 1 1 1 4363 1333 1 1 1 1 2521 2301 3164 1 1888 1 1 1 1 3712 1 1 1 2315 3205 1 2483 2718 1 1 1 1 1 1 1 71.0738 *71.0738* C4 H9 N + 8.260764 2558 2629 3137 2958 1 2664 1 2421 2126 2149 1 2922 2623 3244 2895 2583 1 3250 2701 2676 2712 1 2779 2062 2933 2588 2121 3007 1 2802 2893 3144 2890 3175 2212 2288 2440 2613 2607 3357 2799 1 1 1 1 3376 3777 1 2957 3464 7029 5852 1 5657 4316 4260 4254 3872 1 2776 3759 3746 2757 1 1 2881 1 2738 2101 2894 4923 4917 1666 1863 2887 2667 4680 3965 4017 5127 4237 3691 3098 3592 3740 3284 4081 3779 3189 2298 71.0738 *71.0738* 71.0738@6.736635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1897 1 1 71.0738 *71.0738* 71.0738@5.392463 1 1310 1 1 1 2775 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 1 1 1 1 1 1 1 1 1 1 1 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 71.0738 *71.0739* C4 H9 N + 6.020658 1 6268 6888 8634 7946 9398 10375 10037 7642 5278 10562 10646 5949 6134 6196 5401 7935 9258 7630 7175 6471 6675 5930 1 8574 9249 8677 8203 5529 3727 7474 6495 6786 5679 6167 5868 7296 1016 6220 6242 4705 3579 8758 8397 7972 1439 9086 8831 5855 6548 11410 11005 10989 10278 8439 7691 7241 5041 6157 1 13466 13053 7550 6939 10673 10357 7115 5312 10666 9391 13139 11310 14696 12231 9057 8055 17341 17623 11957 10917 8354 9117 9965 9555 15053 9733 24065 23128 7070 7671 71.0739 *71.074* 71.074@8.300997 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71.074 *72.0199* 72.0199@0.9774235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4004 4081 1 1 1 1 1 1 1 1 1 1 1 1 72.0199 *72.0211* 72.0211@2.0583007 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2741 1 1 1 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 3050 5952 1 1 1 1 1 5838 5672 1 1 1 1 2578 1403 1 1 1 1 72.0211 *72.0214* 72.0214@2.7729092 1 1 1 1 1 2413 1 1 1 1 3005 1949 3014 13523 3242 2223 1 1 3446 1 1 3440 2493 1 1 1095 1 1 1 1 1 3019 1 8760 1179 1 1002 1485 12770 1 1 1 1867 4593 1 3135 1 2804 1 2351 2814 1 5102 3069 1 1 5182 1 2071 3443 1 1 1 1 1 2950 2217 1 2476 1942 1 1 1 1356 1 3135 1492 1942 1 1 1 1 1 1557 3103 1 1102 1 5873 1 72.0214 *72.0216* 72.0216@2.3501675 1 1 2245 2068 1 5067 1 1 2049 1 1309 1 2612 2485 1 1 1 1 1 1 1 3502 1 2025 1 2922 3430 1 3047 1 2174 3345 1336 1 3402 1 1 1 1 1 1 1310 1184 1114 1 1 3437 1 1 1094 1 2643 1 1 2023 1 1 1241 1823 1745 1 1 1 1 3325 1 2594 1321 3101 2630 4760 1 3561 6622 1 2267 1 4480 1 1 1 2215 1 5098 1 1 6655 3504 1 1 72.0216 *72.0216* Methylglyoxal 1 1 1 2146 1 1 1 1 2257 1 1 1 1 1 1 1 1 1 1 1 1 2090 1 4978 7221 4020 1 1 1 1 3936 4581 1 1 1771 1613 8158 3173 9403 1 3894 2260 2888 2738 1 1 1 1 1 1688 1295 1997 1 1343 1 1 1 4630 3787 2347 1 1 1 1 8857 1 3274 1 2020 1 5751 1 1 1 1 1 1 1 16026 1 6242 4823 1 1709 4991 8437 2436 8623 9995 1 C00546 72.0216 *72.0216* Methylglyoxal + 2.7206578 1514 1 5467 1592 2913 1475 6463 1 1 1 1859 3054 1201 29083 2106 1282 1 2376 1761 1737 3355 3301 1822 1401 1 3110 1 1 16928 1687 2347 1974 5701 3993 1044 2458 2579 1159 2333 6858 2252 1 2222 2818 4014 1984 1647 2209 1674 1343 2511 3764 2710 2586 2306 1 4751 2163 4222 1578 1818 1 2408 4161 1789 3022 1794 1 4557 1255 1 1614 1 1416 1883 3085 1280 4145 1 1 1092 1 1051 1732 5993 2184 1185 1 39705 1 C00546 72.0216 *72.0218* Acrylic acid 1240 1 1 1503 1 3981 1 1 6310 1 4070 1 2277 2904 1 1463 10309 1 1 1 1 1 19354 1 1 5278 1 1 1493 1 2491 5972 2595 1 1774 1376 2092 1 10923 1 1 1 2118 5259 1 2024 12139 2062 1 1002 4809 2889 1464 4475 2768 1 1 1722 2151 2298 1 4056 1088 1 1 1 1 1 1528 2122 1212 1 1 1 1008 7659 1 1 10648 1 1 2950 1 1 4482 1 3725 1 3256 1 72.0218 *72.0218* 72.0218@2.6099074 1 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 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72.0218 *72.0221* 72.0221@2.7398353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 14249 1 1 1 1 1 1 1 3724 1 1 1 1 1 1 1037 1363 1 1 1311 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 2285 1 1 1 2030 1 1874 1475 1 1 1 1 1 1 1 1116 1 1463 1 1 1 72.0221 *72.0325* 72.0325@2.9881139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21144 23367 1 1 1 1 1 1 1 1 1 1 72.0325 *72.0576* Tetrahydrofuran 8397 7742 6576 6749 8536 8716 8025 8126 9226 9921 6822 7525 11362 10323 13595 9214 4749 4571 8198 9097 8168 8474 9654 8966 11169 13552 9123 8621 8056 8032 4228 5393 5073 5293 4287 4303 3290 9674 10656 7324 12954 10646 5947 4982 4149 3480 8712 4554 5196 5772 10104 8356 14980 7226 5817 7232 5665 4511 6411 7339 3368 3544 5662 7052 5379 5232 5539 5188 2832 11443 5025 6054 5118 5918 8054 7259 6986 10195 12897 26395 5697 3685 11591 9449 7250 13103 6626 11201 3172 2851 HMDB00246 72.0576 *73.0527* 73.0527@13.38039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0527 *73.0528* 73.0528@1.2947276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0528 *73.0667* 73.0667@4.838083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58339 58556 1 1 1 1 1 1 1 1 1 1 73.0667 *73.0821* 73.0821@4.858579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23738 23533 1 1 1 1 1 1 1 1 1 1 73.0821 *73.0892* 73.0892@4.0124426 1 1 1 1 5225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5204 1 1 1 1 1 1 1 1 7263 1 7134 1 9697 1 1 1 1 1 1 1 7329 1 1 1 17355 1 1 1 1 1 1 1 7207 1 1 1 1 1 1 11711 1 1 7057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0892 *73.0892* 73.0892@4.7945495 1 1 1 1 14005 1 1 1 1 1 6094 1 6652 1 1 1 1 1 1 1 1 1 1 1 1 10581 1 1 1 1 1 1 1 1 1 1 2453 1 8734 1 1 1 1 1 1 1 5409 1 1 1 1 1 1 1 1 1 1 1 7954 1 1 1 1 1 1 3416 1 1 10108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0892 *73.0892* 73.0892@5.1388216 1 1 1 1 1 1 5704 1 1 1 11199 1 6481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4674 1 1 1 1 3494 1 1 1 1 1 1 1 6629 1 1 3924 1 1 1 1 1 1 1 1 4426 1 1 1 1 1 1 19924 1 1 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0892 *73.0893* 73.0893@5.496866 1 1 1 1 1 1 3265 1 1 1 3556 1 1 1 1 1 1 1 2495 5027 1 5880 1 1 1 1 1 1 6717 1 1 1 1 2126 1 1 6363 1 4130 1 1 1 1 4995 1 1 12217 1 1 8668 1 1 1 1 1 1 1 1 9973 1 3829 1 1 1 2044 1 3317 1 2267 1 1 1 1 1 6048 1 1 1 2809 1 1 1 6875 1 1 3624 1 1 1 1 73.0893 *73.0894* 73.0894@4.190069 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 4064 1 1 1 1 1 1 1 1 7252 1 7145 1 3729 1 1 1 1 1 1 1 5646 1 1 1 1 1 1 1 1 1 1 1 4544 1 1 1 1 1 1 3996 1 1 8111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0894 *73.0894* 73.0894@4.7440114 1 1 1 1 3803 1 1 1 1 1 9119 1 8292 1 1 1 1 1 1 1 32514 33823 1 1 1 5322 1 1 1 1 1 1 1 1 1 1 16151 1 11596 1 1 1 1 1 1 1 7201 1 1 1 24452 1 1 1 1 37322 1 1 32138 1 43094 41627 1 1 50400 7875 45522 40406 37294 37532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30223 1 142023 136307 1 1 73.0894 *73.0894* 73.0894@4.9328365 1 1 1 1 16396 1 1 1 1 1 12892 1 5082 1 1 1 1 1 1 1 1 1 1 1 1 5192 1 1 1 1 1 1 1 1 1 1 1 1 9190 1 1 1 1 1 1 1 5639 1 1 1 1 1 1 1 1 1 1 1 16485 1 1 1 1 1 1 48315 1 1 9969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0894 *73.0894* 73.0894@4.3448505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5456 1 1 1 1 1 1 1 1 1 1 1 1 5376 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 73.0894 *73.0894* 73.0894@4.867635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13169 1 1 1 1 1 1 1 1 1 1 1 5648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0894 *73.0895* 73.0895@4.4797506 1 1 1 1 9457 1 1 1 1 1 2227 1 14058 1 1 1 1 1 1 1 1 1 1 1 1 7909 1 1 1 1 1 1 1 1 3445 1 3423 1 24511 1 1 1 1 1 1 1 10393 1 1 1 1 1 1 1 1 1 1 1 6023 1 1 1 1 1 1 17504 1 1 3398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0895 *73.0895* 73.0895@4.1548996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3424 1 1 1 1 1 1 1 1 4557 1 1 1 7214 1 1 1 1 1 1 1 3630 1 1 1 1 1 1 1 1 1 1 1 5706 1 1 1 1 1 1 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 73.0895 *73.0895* 73.0895@4.452746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0895 *73.0895* 73.0895@4.521839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0895 *73.0895* 73.0895@4.660044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0895 *73.0895* 73.0895@5.537856 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 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0895 *73.0896* 73.0896@6.099994 1 1 1 1 1 1 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3469 1 1 1 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73.0896 *74.021* 74.021@1.2113104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1013 1 1 1 1091 1 1978 2252 1 1 1 1 1 1 1 1 1 1 1 1 74.021 *74.0346* 74.0346@1.2144352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 74.0346 *74.0358* 74.0358@1.6391782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 74.0358 *74.0358* 74.0358@2.2999616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74.0358 *74.0365* 74.0365@2.2982333 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 1 2008 7345 2747 2652 6117 1 6480 1 1 1 6855 1 1 1 7467 1 2959 1 1 1 1 1 1 1 5908 1 1 1 1 4135 8471 1 1 1 7009 1 1 1 5498 1 1 1 10322 12196 1056 11500 1 1669 1765 2096 1 1 18036 16027 1 1 1 1 1736 1 1 1496 4263 10981 11442 1539 1 1 1 1 9209 1 11777 1 74.0365 *74.0369* 74.0369@1.6565369 4101 4487 1 1 1636 2407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8509 7470 1 1 1 1 1 1 1 1 2447 2305 1 1 1 1 1 1 1791 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 2084 1 1 1482 2165 1 1 1 1 4989 6934 1 1 1 1 1 1 1 1 4192 5295 74.0369 *74.0375* 74.0375@2.047 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 74.0375 *74.0399* 74.0399@1.6595793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 74.0399 *74.0476* 74.0476@1.8563999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1 1 1 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 1737 74.0476 *74.0477* 74.0477@2.9855194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4270 4242 1 1 1 1 2291 2411 1938 1633 2370 3136 2566 2191 3697 3366 1597 1855 1 1 74.0477 *74.0479* 74.0479@1.821779 1571 2280 2943 2987 3129 2634 4453 5049 1 1 4376 4274 1 1867 3465 3238 1 1 3258 3586 5238 5308 3436 4177 3256 1 6127 6562 2158 2752 8681 8627 10569 11071 2959 3162 5106 5473 2270 2532 3535 3442 3959 3909 6552 5572 5325 5262 8568 9002 14577 15432 8969 9298 2675 1 3745 3271 1905 3690 10414 10929 2064 5496 6592 6170 21137 19852 8837 9280 6218 5245 4391 3998 1 1 1957 1 10250 11554 11200 11154 2842 2893 8977 8826 4475 4401 6775 5469 74.0479 *74.0932* 74.0932@4.6402335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1125 1 1 1 1 1 1 1 1706 1 1 1 1 1 1 1 1 1 1350 1079 1 1 1 1 1 1 1820 2509 1 1980 1054 1 1 1 1 1 1 1 74.0932 *75.0146* 75.0146@2.1917593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75.0146 *75.0315* 75.0315@3.178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 75.0315 *75.068* 75.068@1.777079 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 2122 4866 1 1 1 2997 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 75.068 *75.0681* 2-Aminopropanol + 1.6490082 1 1 2388 1996 2657 2171 1 1 1 1 2047 2633 1271 1 1916 2468 3762 2965 3818 3435 2113 2313 1 1 1 1 4590 2823 3136 3004 3325 2028 3598 3324 1 1866 2555 2733 1 1 1 2483 3810 1 3592 5480 3646 3103 5390 5165 3690 4513 2486 2134 1413 1770 1352 1296 1 1 2508 2595 6369 6375 2883 1 5737 5950 3404 3105 3825 4218 2618 2558 4252 3388 1 1 1 1 1262 2025 3501 2275 1496 2672 1 2486 6108 6659 75.0681 *75.0682* 75.0682@6.5926094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 75.0682 *75.0683* Trimethylamine N-oxide 3882 4068 6016 6618 3834 7158 6216 6339 5647 5637 6497 6464 5191 5241 6913 6730 5214 5606 5248 5574 4665 4139 5770 5692 5537 5236 6398 6525 4481 4704 3160 3090 6334 5574 5979 6377 10984 10464 7298 7696 8226 8016 1822 4363 7461 7555 7552 8007 6444 3912 6138 5835 7055 7286 6688 6745 5849 1988 4798 4503 6360 3270 8068 6750 9058 9073 4370 5845 5607 6228 6379 5961 4852 4797 3584 3711 5098 5708 5514 5793 6167 5732 18254 19638 5823 5406 4519 4500 4371 4728 75.0683 *75.0688* 2-Aminopropanol 215108 219255 377589 375328 2976689 3120412 852487 857010 134300 137937 520612 516852 123964 124958 125111 123777 604500 604353 314513 316441 512458 512066 128996 134179 152489 151645 873513 866057 99391 98519 878437 863158 516944 507937 394670 386736 380312 384963 591501 579519 1864627 1888126 678124 675620 291416 290576 572746 584769 713643 728023 209386 207786 287700 291882 208550 202596 743132 751662 132807 126572 693312 682668 605685 615748 704191 702529 1026413 1027416 287334 290625 164103 164005 435320 432707 597549 597704 243528 247006 333216 342875 449954 453703 122973 122532 866393 866367 1012230 1019191 380733 375914 75.0688 *75.0688* 75.0688@6.496111 1 1 1 1 149808 1 1520 1 1 1 1 1 1 1 1 1 1 1 1838 1002 1 1 1 1 1 1 2163 1 1 1207 1 1 2893 1 1 1 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 1 1 1 1 1188 2196 1 1 1 1 4171 1 1 1 1 1 1111 1 1 1 1 1 1 2204 1 2021 1 1 2381 1 1173 1 1 1 75.0688 *77.0735* 77.0735@6.296894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77.0735 *78.014* dimethyl sulfoxide 2276 2696 3646 3933 9146 8538 7428 6989 2020 2064 4862 4640 10893 10841 5534 5431 4782 4095 2743 3106 1 3116 1 1 6861 6558 5510 5837 6279 6620 2955 1040 18348 17881 2586 1396 2637 2849 2358 2712 22878 23534 4581 4546 1 1 4850 4028 2448 2882 9281 9653 6838 6990 9368 10570 4790 4837 5759 5609 5778 6115 2149 1880 10731 10910 10854 10281 4752 4659 3134 3179 2245 1933 1 2101 3913 3690 6180 5776 1 3988 3653 2892 2958 3004 20750 20394 1 2137 HMDB02151 C11143 78.014 *78.0144* 78.0144@1.815051 1 1 1 1 1 1 1 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 78.0144 *78.0343* 78.0343@3.0653026 2242 2128 1 1 10399 11073 6555 5845 5545 4606 14617 14066 5564 6075 1 1 1 1 6954 7100 1 1 3081 2430 1 1 1 1 7677 8268 1 1 3143 2784 8133 9116 2422 2206 1 1124 9493 9003 2654 2563 5421 5268 1809 2854 6068 6115 1 1 19140 19079 4023 3659 4249 4237 7040 6536 2811 3500 1 1 7231 6995 1 1644 34391 32404 7317 8093 13108 12573 1497 1 18064 19222 33531 24923 4262 4518 6873 6918 1638 1485 12147 11806 1228 1 78.0343 *78.0349* 78.0349@3.0916967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78.0349 *78.047* 78.047@1.1698321 1 1 1 1 1 1 1 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 1943 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 78.047 *79.0419* 79.0419@0.77160794 1 1 1 1 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6283 1 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0419 *79.0419* 79.0419@0.92098856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0419 *79.042* 79.042@0.8533779 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 2857 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5762 1 1 1 1 1 1 1 1 3220 1 1 1 1 1 1 1 1 1 3197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.042 *79.042* 79.042@1.5548704 1 1 1 1 1 1 1 1 1 1 1 1 4690 1 1 1 1 1 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 6933 1 5554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.042 *79.0421* Pyridine 11631 10824 9303 13197 14346 1 14270 13294 1 10315 3112 1 8533 10884 1 1 1 7783 1 12655 13950 9724 1 1 14326 19876 14002 16172 12796 10204 8908 1 14916 14252 31618 14067 6200 15154 8434 1 14147 8094 1 5929 1 13096 7117 1 1 4996 14028 14236 14943 10158 9808 15542 12740 1 6509 12883 16408 17018 1 1 8965 17356 17621 10951 28706 16897 19260 16471 1 7931 1 14757 1 16258 18935 19089 12409 1 14535 9563 16819 1 16135 1 1 1 HMDB00926 C00747 79.0421 *79.0421* 79.0421@0.6512834 1 1 1 1 1 1 1 1 1 1 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 1 7486 1 7193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4453 1 1 1 1 1 1 1 1 1 1 1 1 1 14623 1 1 1 1 1 1 1 79.0421 *79.0421* 79.0421@1.0228498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5633 1 1 1 1 1 1 1 1 7105 1 1 1 2884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7971 1 1 1 1 1 1 7890 1 1 3559 1 1 1 1 1 1 1 1 18934 1 1 1 1 1 1 1 1 1 1 1 1 79.0421 *79.0421* 79.0421@1.4278225 1 1 1 1 3379 1 1 1 1 1 1 1 4674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11865 1 10710 1 3340 1 1 1 1 1 1 1 1 1 1 8708 1 1 1 4180 1 1 1 1 3903 1 1 1 1 1 1 1 5186 14222 8043 1 3855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0421 *79.0421* 79.0421@1.87499 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 1 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0421 *79.0421* 79.0421@3.35771 1 1 1 1 2315 1 1 1 1 1 1 1 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 1 1 1 79.0421 *79.0421* 79.0421@1.1555233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4789 1 1 1 1 1 1 1 1 1 1 1 3598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5431 1 1 1 1 1 79.0421 *79.0421* 79.0421@2.8139086 1 1 1 1 1 1 1 1 1 1 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 1 1 1897 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 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 79.0421 *79.0422* 79.0422@1.9783082 1 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4188 1 1 1 1 1 1 39276 32599 1 1 1 1 3148 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0422 *79.0422* 79.0422@3.9764662 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 79.0422 *79.0422* 79.0422@2.9511623 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 1732 1 1 1 4070 1 1 1 1 1 1 1 3978 1 1 1 8239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0422 *79.0423* 79.0423@1.7852807 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 3113 1 1 1 1 1 1 1 1 1 1 2408 1 2173 1 1 1 1 1 1 1 7380 1 1 5346 8506 1 1 1 1 1 1 1 2464 1 1 1 1 1 1 1 1 1 3940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0423 *79.0423* 79.0423@2.1122713 1 1 1 1 5662 1 1 1 1 1 7257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3242 1 1 1 1 1 1 36594 37790 4203 1 4559 1 4283 1 1 1 1 1 1 1 4644 1 1 3074 4457 1 1 1 1 1 1 1 3406 1 1 1 1 1 1 2322 1 1 17105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0423 *79.0423* 79.0423@2.3080654 1 1 1 1 3142 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0423 *79.0423* 79.0423@3.2947836 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0423 *79.0423* 79.0423@1.8031619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.0423 *79.9399* 79.9399@3.881939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9399 *79.94* 79.94@4.2902284 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 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1978 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 3142 1 1 1 1 1 1 1 79.94 *79.9401* 79.9401@2.1862621 1 1 1 1 1 1 1 1 1468 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9401 *79.9402* 79.9402@2.0805988 2628 1 1 1 1 1 1 1 2118 1 4095 1593 3507 1 1 1 1 1956 1 1 1 1 1 1 1 1 1010 1 1 1 1467 1 1 1234 1749 4149 1357 1 2916 1 1 3695 1 4323 1 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1 2072 1 4685 1 5085 2437 2573 1 1044 3785 4568 3299 3237 1 5973 2217 1268 3579 1 1 1 2460 1 1 2978 2099 1 1 1 1 79.9402 *79.9402* 79.9402@2.1724718 1 1 1 1 1 1045 1 1 2643 1066 1530 1694 1361 1 1 1153 1283 1899 1 2764 1680 1 1 1 1 1 1774 1960 1 1 1 1 1 1 1725 1 1 1 1 2492 1426 1483 1315 1 1 1 1 1 1 1 1 1 1029 1 1 1 1136 1 1 1 1378 2077 1534 1 3871 1297 2884 1 1083 1308 1 1 3146 3835 1 1436 1 1864 1 1 1 1 1 1023 1045 1 1281 1 1 1 79.9402 *79.9402* 79.9402@1.4250325 1 1 1 1 1 1 1455 1 2469 2314 1 1 1 1 1935 1 1 1 1 1 1 1 1538 1197 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 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1335 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9402 *79.9403* 79.9403@3.8570797 1 1 1 1337 1383 1 1 1746 1 1 1123 1 1 2124 2743 1 1 1812 1 1 1539 1049 1 1 1 1 1 1264 1259 1147 1089 1 1 1 1 1 1 1 1254 2034 1 1 1 1 1 1 1 1 1851 1 1 1606 1 1 1150 1 1 1 1 1 1330 1 1 1 1 1 1 1 1 1866 1 2456 1010 1 1 1 1 2345 1 1 1469 2476 1317 1 1207 2320 1 1 1 1 79.9403 *79.9403* 79.9403@4.231192 1 1 1 1 1 1 1 1 1 3528 1 1 1 6254 2283 1 1 1 1127 1 1471 1 1 1 1 1 1 1520 1631 1 1 1 1 1 1 1 1 1 1 1613 1 1569 1 1 1294 1 1 1 1 1 1 1083 1 1255 1823 1 1 1 1 1 1869 1 1231 1 1530 1 2747 1 1 1 1 1 1979 1 1 1 1895 1 1 1 1125 1387 1041 1 1593 1021 1 1 1 1 79.9403 *79.9404* 79.9404@2.870616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1649 1 1 1 1 1 1 79.9404 *79.9405* 79.9405@2.8048763 1373 1675 1 1283 1 1 1 1 1 2034 1 1 1 1 1209 1601 1 1 1516 1955 1 1 1 1 1096 1 1 1499 2909 2603 1 1 1 1517 1 1075 1 1 1 3702 1327 1082 1571 1 1 1 1832 1 1744 1 1272 1114 1 2244 1 3263 1082 1 1402 1 1820 2800 1 1 3174 3269 1732 4056 1161 1 3504 3874 2897 3141 3268 1 3726 3231 3872 2680 1198 4432 1576 2176 3525 1648 3336 2454 1353 1 79.9405 *79.9405* 79.9405@10.032578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 79.9405 *79.9406* 79.9406@4.0862145 1 1 1927 1161 1 1 1527 2213 1 3249 1776 1 2115 1015 1546 1 1 1 1252 1174 1971 1 1 1312 1 1 1577 2418 2031 1078 1310 1129 1 1 1690 1222 1270 2023 1334 2186 1061 1 1227 1187 2135 1 1173 1 1175 1 1 1297 1 1851 1578 1613 1610 1 1 1039 1499 1 1473 1659 1 1350 2574 1 1 2230 1 1266 1938 1 1 2633 2881 1 1 1 1512 1551 1307 1800 3195 1528 1 1 1872 1985 79.9406 *79.9406* 79.9406@2.2719681 1427 1 1547 1 1235 1086 1 1559 2188 1 2135 1124 1899 1 1 1785 2347 1546 1 4103 1352 1414 1 1 1023 1 2098 1 1716 1 1 3372 1 2094 1376 4490 3782 1 1 2077 1 1913 1 1 1 1 1 1 1208 1 2194 1 1231 1 1384 1 1 1 1276 1 2704 2706 2155 1 2215 1 1 1 1779 2375 1 1 1869 1766 5555 1083 1470 1558 1952 1 1479 1983 1 1385 4455 1 1855 2529 1 1 79.9406 *79.9406* 79.9406@2.6447928 1 2327 1 1 1 5323 1 1 1128 1 1 1 1 1568 1 3994 1437 1543 2475 1372 1 1 1 2796 1 2033 1 1 1 1826 1362 1 3992 1 1 1175 3707 1 2188 1411 4042 1365 1 1 1 1 2401 1 1355 2802 1243 1 2120 1 1 1 1210 1 4075 1 1052 1209 3091 2813 1 1558 2071 1 2622 1858 3931 1076 1898 1 1 1447 2237 1 2026 1 2898 3238 1521 4324 1 1452 1314 1257 1088 1 79.9406 *79.9407* 79.9407@2.734817 1 1 1 1 1 1 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 1500 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 2067 1 1 1 1 2503 2154 1 1 1 1 1115 1 1137 1 1064 1139 1959 1312 1 1661 1 1 1 1 79.9407 *79.9407* 79.9407@2.5006392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1238 1 1 2753 1 1 1 1 1 79.9407 *79.9409* 79.9409@2.3541474 1 1 1 1 1 1938 1 1 1 1 1862 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 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 2181 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 2521 1 1 1 1 1 79.9409 *80.0279* 80.0279@2.6524835 2968 2274 3069 2867 3124 2536 1865 2663 1 4413 2666 1 3302 2005 1214 1 3144 1 4877 1 1 1 3729 5490 1 4964 3824 2820 1 1964 1710 1 1 3006 4360 1 1 1 2207 1226 3417 1 1 1 1 1 1 1 1 3247 1 1 1 1 2467 3678 1 1 5347 1608 1 1188 1 6042 3628 1 1951 3025 2855 2779 1 1 1230 3331 3225 1 4460 1 3483 1 1 3332 2913 1 1 1 1 1 2834 2517 80.0279 *80.028* 80.028@2.722542 9617 7218 4369 6429 9849 3360 3684 5469 1 3953 10341 1336 3040 2901 4025 1 8710 4821 1892 4192 3601 1 4135 2991 2016 1662 3983 2877 13354 5852 3929 1 11539 1347 7174 1 10217 2779 1762 5939 6593 5767 1 8043 1 1228 2844 1 1 7381 3348 1 1 1 2865 1580 6577 1 2060 5877 1 7230 7514 1526 7930 1 2957 5661 8084 1332 5400 1 1197 3538 1760 1 4304 3251 1722 3101 1 3322 1259 7656 1 1 1 1 5245 1768 80.028 *80.028* 80.028@2.7391734 1 1701 1477 1 1 1 4629 1 1 1 1 1 3270 1 1 1 1 1 2770 1 1 1 1 1 1 2718 1 4457 1 3401 4867 1 1 1 1 1 1 1 1 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3838 4746 1 1 3863 2366 1 1 1 1 1 1 6146 1 1 4831 1 1 4598 3072 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 6479 80.028 *80.0283* 80.0283@2.6539907 1 1 1 1 1 1 2321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1 1 1 1 3579 1 1 1 1 1 4073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 80.0283 *80.0381* 80.0381@4.113711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1512 1503 1 1 1 1 1 1 1 1 1 1 80.0381 *80.0432* 80.0432@1.8381164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.0432 *80.0534* 80.0534@1.2038262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1134 80.0534 *80.0569* 80.0569@1.166118 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 1 1 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 1972 1 1 1 1 2779 1 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 6427 1 1 1898 1 1 1 1 1 80.0569 *80.0597* 80.0597@1.1661688 1952 1906 3776 3063 2140 2402 2267 2394 2997 2795 4756 4887 1448 1256 1 1641 2614 1 1829 2266 3782 2296 1 3163 2996 1505 1 1 2598 1842 3558 6700 2696 4011 1 3880 2278 1471 2632 1578 1771 2613 1742 4207 1962 1 2249 2784 2767 1 2979 2810 1583 1948 2069 3517 1 1905 3663 2646 1862 1769 1 1 1 1403 1 1295 1540 1 1399 1659 1340 1115 3193 1269 1745 1124 3771 3290 1462 1953 4853 1152 1 1484 3701 3646 1 1679 80.0597 *80.0598* C6 H8 1790 2152 1809 2063 2504 1 2660 2356 2130 2273 2612 1909 1403 1 1077 2727 3747 1 3473 1 2753 2980 2059 2197 2194 3105 4429 4221 1 3069 2746 1886 1743 1 3299 2380 4957 4516 2941 1 4654 1657 2660 2973 6191 6417 1 1721 2172 1756 1574 2251 1 2786 3431 2148 1 1 1 1366 1 1968 1 1 1 1 1 1 1 1310 2108 2447 2202 1 1 1004 1 1 2124 1403 3071 1 1449 3071 1683 1 1554 1599 1664 1 80.0598 *80.0616* 80.0616@1.147709 1 1 1 1 1 1 1 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 1 1 1 1 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80.0616 *81.021* 81.021@2.1684794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 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 81.021 *81.0216* C4 H3 N O 1 1 1921 1 1 1 1 1 1600 1 1810 2714 1 1 1000 1 1287 1 1955 1787 1 1072 1 1 1 1 1248 1839 1 1 1566 3243 2020 1250 1 1 1624 1 1 1 1 1 1 1 1 1 1 1298 1993 1980 1439 1 1 1 1 1 1 1 1 1 1968 2333 1340 2559 1547 2144 4169 3946 1 1706 4625 3418 1 1 2038 1 1 1 1595 1 1875 1684 1 1 3341 2996 2367 2468 1632 1 81.0216 *81.0324* 81.0324@2.6566455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1555 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 81.0324 *81.045* 81.045@3.4356532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 81.045 *81.0575* 81.0575@1.7994748 1 2606 1 1 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 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 2748 1 1 1 1 1 1 1 81.0575 *81.0576* 81.0576@1.2159662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1229 81.0576 *81.0577* 81.0577@1.7162918 9712 6500 1 1 3411 3323 3317 4460 1 1 3501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3478 4895 1 1 1 1 1 1 1 1 1 1 1 3835 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 3115 5950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13289 13882 1 1 1 1 1 1 1485 4779 1 1 2208 2154 1 1 81.0577 *81.0577* 81.0577@1.4893539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 3066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9733 6404 1 1 1 1 1 1 1 1 6643 6091 1 1 1 1 1 1 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 1666 1443 1 5622 5092 1 1 81.0577 *81.9373* 81.9373@2.8044496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 81.9373 *82.0139* 82.0139@1.987011 4328 4361 8215 8252 7690 7259 6153 6670 4980 5774 9062 9239 4790 4063 3780 4609 1 4324 5056 5262 5870 6727 4401 4877 7233 7430 12991 12687 7058 5803 7681 7622 6342 5349 7531 7161 5584 4917 6579 6919 5801 5352 5963 5434 6229 5448 9424 9192 7400 7908 5666 5175 4285 4246 7941 7638 6759 6905 5404 5623 6974 6944 8871 8885 6787 7036 14703 14877 7549 8366 5810 6057 9092 9175 7579 6527 5554 5853 4556 4731 5716 6467 7097 6134 7449 7701 9380 9267 4321 4177 82.0139 *82.0141* 82.0141@13.293248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0141 *82.0142* 82.0142@12.822771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82.0142 *82.0142* 82.0142@13.022534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0142 *82.0143* 82.0143@13.367828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2258 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0143 *82.0144* Urea + 5.805285 1 1 1 1 3278 1246 3545 2533 1 2150 1 1 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3558 1 4605 4184 1 3283 1 3788 1 4339 1 1 1 1 1 1 1 3639 1 1 4150 5728 1 1 3991 1 3741 1 1529 1 1 1 1 3778 5295 1 1683 3229 1 1 4332 5167 3877 1 1 2619 1 5457 1 4667 3338 1 4962 1 1 1 1 3686 1 1 1 HMDB00294 C00086 82.0144 *82.0144* 82.0144@12.572824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 4536 4151 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 1 1 1 1 1 1 1 1 82.0144 *82.0144* 82.0144@12.928253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 82.0144 *82.0144* 82.0144@5.7373424 1 1 1 1 1 1 1 1 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 1 1 1 1 1 6033 1 1 1 1 1 1 1 1 1 1 1 1 8252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0144 *82.0145* Urea + 5.5551605 2165 2550 2511 1 4189 1347 1857 3543 1 1616 3559 3023 1 1 4484 1 1 1357 5400 1 1 1841 1 2780 2480 2432 4840 3318 2081 2678 1 6506 2594 1 4039 1 4793 3917 1 1 5798 1 1 1 1 3584 12577 1 4191 2458 1 1 4108 3397 4307 2645 3760 1 4175 3832 1699 1 10689 1 1 3516 1 12151 5050 4308 5007 3155 1 1 1791 3357 4689 1 1971 2119 1 3019 1 1 1 1 8750 8933 2417 3629 HMDB00294 C00086 82.0145 *82.0145* 82.0145@5.2041245 1 1 3087 1 4633 1 1386 1 1 1 1 1 1 1 1 1 1 1186 1010 1 1611 1 1 1 3603 1 1 1949 1 1 1 1 1279 1 1 1 2462 1 1 1 3072 1960 1 1 1 1 1 1 2093 1454 1 1 1 1 3514 1 1 1 1 1 1 2779 2030 1 1 1 1 1 1 1 8554 1 1 1 1 4484 2127 1 1 1 1 1 1 2266 1 1 1 1 1 1 82.0145 *82.0145* 82.0145@12.854518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82.0145 *82.0146* 82.0146@6.7610154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6798 1 1 1 1 1 1 1 5129 1 1 82.0146 *82.0146* 82.0146@5.067228 1 1 1 1 1320 1 1 1 1 1 1 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 1 1 1 1 1 1 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 82.0146 *82.0148* 82.0148@6.9148498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2448 1 1 82.0148 *82.0151* 82.0151@5.2227745 1 1 1 1 2117 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 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 82.0151 *82.0449* 82.0449@1.062027 1 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 1 1 1 1 1 1 1 1 82.0449 *82.046* 82.046@1.1742297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82.046 *82.0477* 82.0477@2.2185535 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0477 *82.0484* 82.0484@7.2464905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1071 1 1 1 1 1 1 1 1 1068 1656 1 1 82.0484 *82.0494* 82.0494@1.8607311 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 2421 1121 1 1 1 1 1 1 1409 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0494 *82.0516* 82.0516@4.7016535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1081 1 1 1 1 1 1 1 1 1 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 1 1 1 1242 1380 1 1540 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 82.0516 *82.0527* 82.0527@4.4804997 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 3546 1 1 1 2621 1 1 1808 1 1 1 2229 1 1 1 1 1 1 1 1946 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1021 1 1 1 1506 1 1 1 1 1471 1 2349 1 1 1 1493 1 1 1 1 1 1 1 2436 1988 1 1 1 1 1 1 1 1 1171 1 82.0527 *82.0528* 82.0528@3.3715606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0528 *82.053* 82.053@4.2078185 1 1 1 1 1 1 2577 2761 1031 1 1 1 1 1 1 1 1 1 1046 1 1 1064 1 1 1024 1 1 1 1 1 1 1682 1 1512 1 1 2195 1065 1 1 1 1881 1 1 1 1 2410 1 1367 1028 1 1 1 1 1 1 1 1 1539 1 1 1993 1 2247 1461 1 1 1 1 1 1 1 1 1608 1 1 1 1642 1 1 1 1 1 1 1 1 1652 1895 1 1 82.053 *82.0531* 82.0531@3.8661754 1 1 2711 1 1 1 1 1 1 1126 1 1 1 1 1 1448 1 1 1 1774 5977 6618 1 1549 1 1 1 1 1 1 1 1719 1 1 1 1 1311 1 1 1 1745 1 1 1 1 1 1 1 1 1 1 1604 1 2254 1 1 1 2215 1 1635 1 1 1 2391 3285 1 1 3167 1 1 1494 1 1 1247 1 2598 1 2983 1 1 1 1183 1 1 1 1 6248 5572 1 1 82.0531 *82.0533* 82.0533@3.9152453 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0533 *82.0555* 82.0555@4.424662 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 1 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0555 *82.0641* 82.0641@4.596384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82.0641 *82.0676* 82.0676@4.606903 1 1 1 1 1 1 1 1 1221 1 1 1 1167 1719 1 1 1 1 1 1028 1 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 1 1 1 1 2428 1 1 1 1301 1 1 1 1 1 1 1 1 1 1832 1116 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2303 1 1 82.0676 *82.0716* 82.0716@4.599538 1 1 1 1 1 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 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 2482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2209 1 1 1 82.0716 *82.0723* 82.0723@1.205736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0723 *82.0747* 82.0747@4.60755 1 1 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 1660 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 3211 2833 1 1 1 2686 1 1 1187 1 2502 3349 1 1 1 1 1 1 1 1 1 1 1 1 82.0747 *82.0763* 82.0763@1.1093479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82.0763 *82.0764* 82.0764@1.1940652 2905 1 3848 3041 1393 2203 1798 1 2287 2702 3502 3083 1616 1 1 1 1 1 1937 2607 1413 1796 3000 2092 5401 2434 3399 3393 2538 2838 2274 1 3488 1 2396 2962 6572 3409 3241 1454 3527 3701 3671 2236 9179 4851 1978 1167 1 1187 5755 1913 3538 4752 2223 2936 1 1241 1 1 1 1 1 1 1 1626 1625 1586 2156 1679 1 1381 1 1196 1103 1 1 1 1611 2944 1 1 1918 3641 2984 1 2275 3560 1 1 82.0764 *82.078* 82.078@4.602077 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 44884 45719 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 59380 58810 1 1 1 1 1 1 1 1 1 1 82.078 *83.0367* 83.0367@13.544927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 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 1 1 1 1 1435 1 1 1 1 1 1 1 1972 1 1 1 83.0367 *83.0369* 83.0369@13.171989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0369 *83.0372* 83.0372@5.848326 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 1 1 1430 1 2677 2620 1616 1 1 1 1 1 2109 2166 1056 1025 83.0372 *83.0372* 83.0372@13.35965 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1406 1326 1 1106 1 1 1 1037 1 1277 1 1126 1 1 1 1025 1 1 1 1 1 1 1 1 2534 1769 1 2078 1314 1 1 1 1 1 1136 1 1084 1 1 1 1 1 1258 1 1 1 1 1016 1 1 1 1 1322 1 1 1 1 1 2246 1 1920 1 1301 1127 1 1 1 1 1 1 1097 1 1 1 83.0372 *83.0373* 83.0373@6.8550444 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1629 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 8107 8095 3512 5066 1 1 1 1 1 1 7552 6584 1 1 2555 2676 1742 1095 1 1 9846 11045 1 1 2084 1 12274 13107 7150 6567 8087 11579 7419 6843 8077 9534 8549 10999 3395 4513 83.0373 *83.0374* 83.0374@2.2767694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1257 1 1 1 1 2037 2137 1 1 1 1 1 1 1 1 1 1 1 24288 24617 1 1 1 1 1 1 1 1 1 1 83.0374 *83.0415* 83.0415@2.1953516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0415 *83.0421* 83.0421@4.5653634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0421 *83.0461* 83.0461@2.1928868 1 1 1 1 1 1 1 1 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 3854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.0461 *83.0709* 83.0709@3.3095121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1116 1 1 1 1 1 1 1 1 1 1 83.0709 *83.0727* 83.0727@3.257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 83.0727 *83.0736* 83.0736@6.7474833 1 1 1 1 1 1 1 1 1 1 1013 1451 1 1 1 1 1446 1239 1338 1409 1 1 1 1 2880 2385 1 1 1 1 1 1 4890 4387 1 2647 1991 2300 4398 3940 1 1 1 1 1 1 1 1 1229 1349 2342 2593 2554 2528 1 1 1 1 1 1 1 1 1 1 1 1 2996 3017 1 1 1 1 1 1 1 1 1 1 1 1 2480 2059 4329 3960 1 1 8524 8194 3423 3320 83.0736 *83.0741* 83.0741@2.1646338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 83.0741 *83.9514* 83.9514@13.328767 1 1 1 1009 1 1 1351 1458 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 1658 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83.9514 *84.0202* 84.0202@1.9711804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1583 1 1 1 1 1 1 1 1 1 1 84.0202 *84.0208* 84.0208@6.8244777 1 1 1 1 1 1 1759 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 1012 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 84.0208 *84.0213* C4 H4 O2 67772 13496 24566 55848 20409 28343 121640 43473 1 90513 41338 63897 72464 65272 67205 24602 83258 89207 43058 45447 19310 40120 77913 45112 86282 89770 32140 33847 52974 71656 48124 107190 1 62967 82077 100703 73080 80032 78403 68432 47563 85752 37367 19991 22089 49258 21091 30532 1 50531 99216 31673 22713 57166 80587 81990 69669 18737 53661 66275 112207 107269 60533 60719 83252 45688 1 21509 26448 76891 78150 74601 102569 24363 1 25472 108533 84653 128015 93120 83000 79739 88967 97060 73907 17313 104901 1 83350 113072 84.0213 *84.0213* C4 H4 O2 + 2.7765062 1 75275 84558 85928 110675 32686 91094 1 66618 98753 1 102813 91605 141010 106198 120585 83626 71048 134700 1 72728 1 72648 72757 65571 1 77259 60081 119051 131872 51859 1 89107 37186 71486 70583 1 116051 69740 74358 84415 74552 78304 82437 80906 85938 99018 1 1 60520 97921 65534 229452 1 1 48770 81369 1 1 76917 1 1 90356 62571 1 38877 1 101379 80512 64829 86413 97572 52859 1 1 37459 1 1 1 1 128020 92498 90888 1 47866 81539 71890 94517 1 1 84.0213 *84.0213* 84.0213@2.652928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54164 1 1 63127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0213 *84.0214* C4 H4 O2 + 2.57065 1 59216 78161 38476 59995 60575 76104 75345 57241 104726 36912 62346 30773 66930 57499 72196 60925 1 85747 1 29879 81014 61177 34096 97472 102257 72040 63400 73515 56558 63573 89409 41746 66742 52076 46906 97816 50701 57537 64214 52049 49446 40433 25493 34427 1 87497 39843 1 50618 1 78668 7588 1 1 53033 73176 53066 170243 57521 1 1 1 63627 1 33358 1 27632 36601 61523 71786 52759 52309 48899 55146 1 71957 1 1 38160 1 1 1 1 52974 31461 76039 1 1 1 84.0214 *84.0214* 84.0214@2.6058853 1 61936 1 70364 31660 1 1 1 1 1 74561 1 1 1 1 1 1 1 1 1 1 72297 1 65348 1 1 57560 1 1 1 52259 1 1 1 1 1 1 1 31865 1 1 1 56079 81140 60606 1 73546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4489 1 1 2824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45159 1 1 1 1 84.0214 *84.0216* 84.0216@7.196667 4175 4142 3504 3859 5772 4972 4854 4636 3671 3212 5189 4983 3376 3411 4699 4785 5548 4897 5570 5172 3060 3046 3005 3552 2141 2092 6370 6514 1667 1899 4322 4324 5722 5970 1 1992 3026 1 2557 3316 2439 3436 4332 5081 3277 3047 3621 5580 3429 3704 2594 3203 3542 3454 3107 2639 2658 3248 1699 1909 3270 3801 3596 4437 4491 6164 3655 4317 5672 4759 5197 3896 3108 3146 3281 3115 5156 4363 3541 3633 3417 4053 6800 6274 3866 4088 9444 9562 2187 2161 84.0216 *84.0221* 84.0221@1.6411088 1 1 1 1 2255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0221 *84.0227* 84.0227@4.1335406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 84.0227 *84.023* 84.023@1.2426041 2711 2381 1584 1710 1 1 1 1 1 1 1 1 1 1580 1137 1 1 1 2181 1847 1951 1766 1 2569 1595 1 1 1 1974 1368 1 1549 1 1305 1079 1615 1 1 1970 1606 1535 1 2344 1 1358 1 1349 1 1 1649 1 1 1 1 1854 1639 1 1 1 1 1 1 2256 1 1 1 1 1 1 1 1643 1096 1 1 7614 1 1366 1 1080 1570 1 1 1 1 1 1491 2081 2166 1 1 84.023 *84.0244* 84.0244@0.714811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0244 *84.0256* 84.0256@0.641298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 84.0256 *84.0275* 84.0275@1.2355438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1070 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 1656 1 1 1 1 1 1 1 1891 2014 1 1 1 1 1 84.0275 *84.0435* 84.0435@5.045714 1 1 1 1 3351 3474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7568 8413 1 1 1 1 1 1 1 1 6024 5922 1 1 1 1 1 1 10457 10458 7786 8699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5568 4342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0435 *84.0524* 84.0524@1.1760391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3910 1 1 1 1560 1 1 1 1 1 1 1 84.0524 *84.0542* 84.0542@1.2061414 2989 4266 3892 4366 1 3930 1 1 1 9883 5765 1 1 1579 7914 1 1 1 10104 1 1124 1 1 1 3989 4336 1507 1 1 1698 2560 6024 1916 1 1 1 1575 11805 1 1 4871 1493 1 3336 1 16228 1 1 13016 1 6620 3861 1 8727 10274 5144 5770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 2147 2471 1 1 1 5831 1840 6583 6756 8121 1 1 84.0542 *84.0543* 84.0543@2.182594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 84.0543 *84.0676* 84.0676@4.7552547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1059 1 1 1 1 1 1 1 1 1 1 1 1 1663 1899 1 1 1 1 1 1 1 1 1 1 84.0676 *84.0936* 84.0936@1.1309683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 3311 3334 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 1355 1642 1 1 1 1 1 1 84.0936 *85.0161* 85.0161@2.9807987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8056 8736 1 1 1 1 1 1 1 1 6944 9336 1 1 1 4889 1 1 1 1 28441 28126 1 1 1 1 1 1 9532 10664 18171 18776 2626 13779 22536 22400 10359 1091 1 1 85.0161 *85.0168* 85.0168@3.0010366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1125 1 1 85.0168 *85.0249* 85.0249@2.6605244 1 1596 1 1 1 1 1 1 1 1 1 1 4354 1 1 1 1 1 1 1 1 1492 1 2363 1 1671 1 1 1 1 1 3327 1 1351 1 1 3546 2621 1 1 1 1 1 1 1 1 1 1 1 1 1333 2337 1211 1 1 1 1 2060 1 1 2159 1304 1 2053 1 4092 1 1 1370 1000 1 1 1 1 1 1 1 1 1 1 1 5857 1533 1790 3126 3271 1759 1888 1882 1 85.0249 *85.0251* 85.0251@2.6152236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 85.0251 *85.0252* 85.0252@2.5190187 2303 1 1749 1 1 1 1103 1 3732 1 1 1 2223 1 1 1 1604 1 1 4316 1 1 1200 1 1 2189 1 1 1 1 2214 1 1 1 1 4263 1 1074 1 1 1 1 1 1350 2057 1153 1839 1 1 1 1592 1452 1621 1 1 1 1 1804 1 1 1324 3777 1 1 1 2746 2878 2164 1140 1 1 1 1812 1038 1 1630 1649 1270 1550 1 5067 1 2180 1 1 1707 1256 1440 1976 3984 85.0252 *85.0254* 85.0254@2.7496746 3739 1410 1 1 1 3040 1 1 5989 1 1 6547 1 1 1815 1 4619 1 1 1508 1 1481 1 1 1 1348 2974 1 1 1 1 2452 1 2237 1 3262 1 1 1185 1 1 1 2777 1 4155 1 1 1 1030 1 1424 4683 1322 1 1 1 1862 3596 1253 1 2117 1149 1 1 1 6471 2377 2497 1388 1 1 1 1 1 1 1 1 1 1 1 1467 1 1402 1198 2011 1 1299 1159 1 1 85.0254 *85.0255* 85.0255@2.4573593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2702 1 1 1 1 1 1 1 85.0255 *85.026* 85.026@2.7680142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1955 1 1 85.026 *85.0439* 85.0439@2.799286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0439 *85.0481* 85.0481@2.844882 1 1 1 1 2596 1 1 1 1 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1813 1 1 1 1 1 1 1 1 1 1 1 2979 1 1 1 1 1 1 1 3396 1 1 1 1 1 1 1 1319 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1 1 1 85.0481 *85.051* 85.051@2.8228464 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.051 *85.0524* 85.0524@2.1759455 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 1 1 2881 1 1 1 1 85.0524 *85.0525* 2-Pyrrolidinone + 2.0653365 69309 67228 63071 62376 71204 71058 125710 122123 76330 76759 83423 85144 82167 80567 87341 90478 84341 82568 115216 114869 56550 57102 89267 88089 51844 51001 60968 62685 58855 60454 70246 67301 71014 71111 86024 86342 129469 133792 111677 101239 129353 129849 66299 81874 63443 63570 88822 89743 66776 66062 63130 64626 93868 93481 59100 60851 44773 44915 110232 110904 112891 113019 120069 117345 77726 77627 81373 80123 65199 4756 107113 106054 73313 74280 72646 73201 74631 77652 153699 152308 97981 99123 70638 68848 55868 107180 53254 52088 104458 102688 HMDB02039 C11118 85.0525 *85.0525* 2-Pyrrolidinone + 2.8527431 3862 3654 13487 10427 1 6059 12302 12724 6256 4260 9791 9061 4905 4306 5827 6098 8661 6754 7258 9090 7129 5902 1 3570 3115 1 9563 10941 3875 3368 11246 8916 9304 7291 4135 1616 7040 6977 4364 2042 5020 6109 5361 5961 4807 3089 5814 6609 11492 11160 1 1 1 2681 1 2903 5871 5038 1 3234 1 3983 12486 12492 5856 5144 8532 7619 5360 7627 1 1 3979 1 6395 6465 1 1 39175 37576 1 1 1 1 1 1 1 2733 5671 5317 HMDB02039 C11118 85.0525 *85.0525* 85.0525@3.3838363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4827 1 1 1 1 1 1 1 1 1 1 8693 1 1886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0525 *85.0526* 85.0526@1.8796813 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 14983 1 1 18190 1 1 1 1916 1 1 1 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1130 2479 1 1 1 2008 1 1 1040 1 1 1 1 2051 1 1 1 1 1 52027 1 1 1 1 1 85.0526 *85.0526* 85.0526@5.1280127 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 2655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0526 *85.0527* 2-Pyrrolidinone + 3.3021889 22723 22588 46399 45547 43343 42533 52513 52488 25776 26229 30878 31764 29128 28023 27496 26590 56455 55508 29429 29353 45546 45952 21706 20711 24873 23611 45001 46636 25406 23953 27131 26615 41946 40214 28034 26231 22876 23508 36084 37401 28904 27647 33955 34547 31819 32749 36559 36694 61095 61046 33019 33669 32397 33053 20542 21063 46718 45737 19648 24227 38967 37551 57415 58174 50794 50433 60777 60340 35350 27124 41786 40239 29136 29186 58569 58767 25933 24578 29298 30416 35142 32750 13557 14533 26134 24298 40340 39863 40895 41103 HMDB02039 C11118 85.0527 *85.0528* 2-Pyrrolidinone 5226 6766 6825 7900 6632 10579 7782 8440 8098 8373 9004 9377 8725 7822 8219 8493 6497 7146 10423 10739 6006 6167 6570 5934 5250 5710 8597 6918 7734 7098 6594 6964 12018 12832 5417 4794 7135 6969 5943 4890 7365 9778 8622 8685 5656 6982 6660 6586 16267 17079 8723 8774 12895 10128 9404 9114 8682 7551 6827 3651 5302 6366 8630 8430 8697 9844 5319 6380 7619 8933 6681 7478 6297 5390 7706 8270 7032 7929 6333 5274 10270 8057 10713 10480 6650 7860 7165 7181 10920 10358 HMDB02039 C11118 85.0528 *85.0528* 2-Pyrrolidinone + 1.2372307 3613 3941 1 2378 2606 1985 3204 3014 2876 2621 2296 2634 1998 2496 1 1630 2669 1877 2939 1 2260 1 2410 2378 3222 2581 3635 2335 2861 3432 1738 2183 1520 2402 1 2156 1528 2104 2068 1181 2131 2490 1 2530 1 1978 1 2416 2852 2869 2052 2108 2115 2192 2565 2173 2270 1676 3010 3320 1 1001 2408 1942 1 2408 2317 1999 2046 1762 2045 1859 2387 1404 7487 7101 1877 2318 2721 1 1 1 3188 2427 1778 1673 2336 1 1 1348 HMDB02039 C11118 85.0528 *85.0528* 2-Pyrrolidinone + 3.7918653 4286 4485 13586 13544 5960 6672 22236 22627 4801 4820 15267 15183 4446 4261 5555 4666 6044 6469 7573 9406 6007 5272 1938 2089 5024 4618 6851 7399 2694 2880 6961 8513 8818 8987 5051 5316 5600 6435 3692 3753 6438 5281 7867 7948 6362 6800 7562 7869 4496 4255 3487 3515 38896 38876 10204 9937 8664 9231 5426 5157 8705 10270 2652 2752 10637 10140 4797 5343 8335 7876 3891 3423 3504 3440 9401 9154 2522 1 3384 1 13407 13223 11703 12045 4327 3865 7966 7162 6800 5101 HMDB02039 C11118 85.0528 *85.0529* 2-Pyrrolidinone + 1.7921468 1 1 1 1 5471 5687 4580 6081 1363 1 1 1 2923 2519 1820 2904 1 2892 1986 2935 2030 2927 2974 2360 2022 2976 4419 3198 2431 1765 4464 4148 2012 4156 3780 1 2198 2759 6281 6829 5058 4719 6815 7133 2027 2000 1841 2051 4753 6178 2347 2802 4581 1 1 1298 2649 1366 2040 1 4359 1 1 2236 1 2072 2341 3786 1 62261 1349 4123 2168 2576 3378 5258 2317 1 2118 1616 1246 5209 1 1 3680 3480 1916 1 2367 3749 HMDB02039 C11118 85.0529 *85.0529* 85.0529@6.1005316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1896 1 1 1 1 1 1 1 1 1 1 85.0529 *85.0531* 85.0531@1.6425016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1841 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 2903 1 1 1 1 1 1 1 1 85.0531 *85.0532* 85.0532@4.965828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3447 2895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0532 *85.0533* 85.0533@1.2099273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 85.0533 *85.0641* C3 H7 N3 28383 29548 30290 29734 23817 24998 28380 27223 27574 27517 31423 31196 27092 26954 28339 27306 29436 29120 33641 33244 28572 27559 30417 28981 24282 24515 28757 29580 27220 26383 1 1 29098 29912 29632 29674 34607 35375 35068 32800 31546 30701 27283 28529 28479 30880 30350 32307 28622 28553 31923 31696 34304 30364 29880 28217 29049 27073 34037 35048 39270 36350 34703 36136 29054 30139 39110 38873 31345 30751 38794 37664 27064 27467 28788 30604 33231 31599 31433 31405 34196 36593 31425 33544 34837 36266 33150 34102 35984 36332 85.0641 *85.086* 85.086@3.2907076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 3155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.086 *85.0887* 85.0887@1.3268237 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 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 85.0887 *85.0888* 85.0888@4.960045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1382 1148 1 1761 1 1 1 1 1 1 1 1 1 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 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0888 *85.0889* C5 H11 N 8232 7857 8783 8494 1 2722 5420 5872 75966 74647 1919 8076 2297 3492 11786 11582 11275 10978 10665 11433 57098 58484 33112 33440 8524 7975 18687 17880 27395 25958 4613108 4578715 26483 24296 48729 47606 23178 23840 2354 8784 3319 2144 11496 11567 26045 24932 10279 3072 1631 3034 1 1705 5035 5487 9760 7895 35468 36183 51720 15925 35675 35555 3043 5275 1 1 5952 5993 16905 18918 3123 1 24629 24664 1 1 240481 241102 45250 44944 113713 351414 581193 586705 25420 19505 193861 194870 2518 5745 85.0889 *85.0889* C5 H11 N + 4.873599 7118 8602 5900 6677 7146 6566 8188 6564 6307 7574 5837 6883 6909 6233 5583 6406 6027 6786 6462 6114 6459 6826 6783 4845 6083 8244 6609 6841 7395 6838 12448 1 5015 7977 7029 7442 6818 6897 7828 8332 6404 6918 6408 6302 11625 13087 11208 10899 13625 11942 11170 10228 10600 11112 11847 10333 10240 3677 10806 10478 6175 6745 7353 6672 6395 6340 6898 7624 5929 7134 8064 6145 5553 5535 7158 6952 7782 6850 5464 6015 8713 6933 6955 6491 7117 7869 7306 6431 6330 6086 85.0889 *85.0889* 85.0889@5.0046644 2180 1 3707 4907 6050 6724 2510 1 4067 1 6686 6204 2610 1 5576 4609 1367 1427 1843 1 1159 1090 2318 2057 1 2956 1 1884 1 1 1 1 1 1 7447 6743 8062 7971 1051 1422 2657 3229 6320 6056 3632 1315 6467 7807 1 1 3776 5712 7157 8848 3998 6208 7685 7759 16532 15969 3803 1 1 3754 5779 5731 2698 1 1 2115 7239 6038 3246 3849 4004 5587 1 5644 9804 11394 7875 6858 1 2181 3549 4204 3533 3961 2997 3236 85.0889 *85.0891* C5 H11 N + 5.393473 20159 18608 18042 16812 17245 16226 14487 14160 14386 14550 14937 16006 16267 14632 13731 14092 14148 13400 17360 15208 1865 11933 11727 11370 12737 12308 16408 16717 15303 15761 1 15196 1 2112 1321 1401 1504 1160 2842 1079 3613 1188 2556 2766 3353 3806 1 1687 1690 1549 2071 1 1 2049 3854 4391 4824 4363 1781 5922 6188 1290 6349 5423 4484 4912 1142 5169 3424 1445 5258 1430 3306 3154 3978 4431 4212 2802 4257 3587 1124 3158 2640 2390 5125 1171 3268 4157 2793 4090 85.0891 *85.0891* C5 H11 N + 5.7249675 1653 7818 10514 10190 10764 9638 11519 12334 8166 8445 12419 13615 7658 7186 7645 8236 9991 8383 1218 9597 16714 10418 6888 6696 8949 10180 10257 11160 4866 1168 13693 13910 8670 9798 8641 8495 3951 5979 5893 5957 1106 7998 11808 1534 9124 1271 12070 7543 1144 1114 11858 11219 12826 10703 10063 1695 9964 9118 6732 5165 12878 10497 8411 7677 1834 12110 9145 8077 12087 6060 1249 5500 14079 14751 9516 9363 14127 14267 13212 11914 11129 9997 10473 12395 10799 11420 18687 18154 7191 1158 85.0891 *85.0891* 85.0891@5.5777173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4474 3645 1 1 1 4258 1 4327 1 13032 1 1 1 1 1 8135 1 1 1 1 1 1 1 1 8255 1 1 1 1 1 13021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2669 1 1 1 1 4017 1 1 1 1 85.0891 *85.0891* 85.0891@3.3392296 1 1 1 1 1 1 1 1 1 1 6301 1 1 1 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 1 1 3031 1 1 1 1 1 7860 1 1 1 1 1 1 1 1 1 1 1 36067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244040 1 1 1 29093 36095 1 1 2887 1 85.0891 *85.0892* C5 H11 N + 5.537091 29016 27715 25874 22683 20375 23201 20302 20662 20409 19632 20804 22120 22962 22876 21065 20026 19823 19507 24085 21874 11001 17037 18301 17232 19718 20484 20053 20365 25818 25279 13258 1 3640 6486 2436 2837 2070 3085 2842 1164 4538 2375 5177 4384 6088 5819 6957 1154 8474 8046 5092 6881 5826 6355 5235 8181 6897 8083 4756 6072 10829 6994 11323 10748 6212 8274 5087 8406 5985 3576 7408 3775 6691 6652 6826 6617 5893 4338 5627 6287 1581 1 3516 3843 6494 1069 6081 5682 5757 7225 85.0892 *85.0892* 85.0892@5.73528 7818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9182 1 8755 1 1 1 1 1 1 1 1 5571 1 1 1 1 2129 1408 9727 7902 6090 4684 7370 1135 1 2459 1 9413 1 13320 8192 1031 1 1 1 1 1 10621 1 1 1694 1 1 13357 1 1 7012 1 9206 1 1 11741 11664 10947 1 1 1 1 1 1 1 1 2792 1 1 1 1 6586 1 1 1 7807 85.0892 *85.0892* 85.0892@6.1129556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1997 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85.0892 *85.0893* C5 H11 N + 5.827722 5213 3475 7267 7046 6655 6511 9669 8812 4750 4595 10809 9430 4884 4264 5152 4655 6213 6045 5523 6638 6915 8442 3764 3755 4831 5663 7367 6949 3165 3110 8335 10657 7250 5923 6623 4911 5702 5175 3844 3086 4324 4261 9420 9357 4667 5810 7809 7353 4843 5349 5630 6526 7112 6477 5643 5814 5645 5233 3973 3728 8532 9478 4136 4152 1574 8332 4926 4745 6753 6820 6437 7049 9403 10139 5671 7160 9644 9412 10675 9909 6654 7434 8282 7006 6570 6933 13461 14365 4547 4015 85.0893 *86.0257* 86.0257@1.4789772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 86.0257 *86.0346* 86.0346@1.5021411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1502 1583 1 1764 1 1 86.0346 *86.0367* 86.0367@1.1086794 1 1 1 1 1 1 1 1 1 3287 1 1565 1 1 1 1 1 1 1 1 1 2891 1 1 1 1 1 1 1 1 1 3947 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 2143 1 2352 1 2529 1 1 1 1 1 1 1 1 1 1 1 6885 1 1 1 1 1 1 1 1 1 1 1 1747 1 6031 8497 9394 1 1 1 2235 1 1 1 1 1 2022 86.0367 *86.0368* 86.0368@2.767616 15898 17075 18938 7774 1 1 1 1 14844 17579 15808 1 14991 10914 1 1 1 1 16614 6401 15631 1 1 19351 16868 24805 17448 2950 1 1 4781 14731 1 1 21802 1 7892 19819 1 1 1 16611 1 21539 20085 17036 1 11950 1 1 1 1 1 1 8192 20299 1 12484 1 1 1 1 1 13057 1 1 4683 1 1 1 2908 1 5407 1 1 9031 1235 1 15824 10572 11267 1 1 14052 19757 1 1 1 1 7771 86.0368 *86.0368* 86.0368@2.8085363 3221 1 1 1 1 1 1 1 1 6766 1 1 1 5759 1 1 1 1 1 1 1 1 1 1 12448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21453 1 1 1 1 1 1 1 1 14969 1 1 1 1 1 1 1 1 17852 1 1 1 1 1 10630 1 1 1 1 1 1 1 1 1 1 1 86.0368 *86.037* 86.037@2.5912592 10283 10947 1762 16801 12871 1 2092 1 11312 1345 1 7195 1 19759 1 1 1 1 11558 11229 10146 1440 1 10557 14520 10921 19124 15898 1 1 1 1749 1 1 1 1 6478 1 1 1 1 1 1 1741 1 10250 1 14343 1 1 1 1 1 1 6558 21897 1 17290 1 1 1 1 1 4762 1 1 1 1 1 1 1 1 18583 1 1 1 13890 1 14475 9307 12712 1 1 13295 1 1 1 1 1 10365 86.037 *86.0372* 86.0372@6.4651895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0372 *86.0378* 86.0378@1.9294629 1362 1737 1 1 2031 1532 1373 2658 1218 1 1050 1086 1 1 1 1 1030 1 1127 1 1684 1536 1124 1559 1 1537 1 1713 1 1109 1747 2094 1 1035 1687 1581 1921 1458 1736 1662 2079 2054 1063 1719 1 1 1670 1738 1 1175 1 1535 1510 1557 1126 1033 1398 1641 1552 1845 1796 1590 1414 1364 2325 2440 1205 1080 1264 1703 1835 1632 1521 1757 2008 1287 1128 1 2620 2346 1222 1450 1523 1382 1539 1575 1 1252 2594 1952 86.0378 *86.038* C4 H6 O2 1974 1 1608 4217 5834 4050 2646 2150 1754 1 1787 1575 1914 1 1 1 1 1 1771 2229 7237 1615 2142 1 1778 1913 1 1 1 1 1 2358 1 1 1 1 1582 1 1 1 5693 5600 1 1427 1 1330 5405 3207 1 1800 1 1393 2555 1589 1630 1524 1959 1915 1315 4855 1 1963 1 1 3922 1891 1683 1697 1 1937 1 1 1 1 1 1 1070 1 2645 2305 1 1 1 1 1320 1 1 1651 1 1 86.038 *86.0381* 86.0381@1.5438133 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0381 *86.0382* 86.0382@2.3346124 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0382 *86.0386* 86.0386@1.4977065 1 1 2481 1 1 1 1749 1 1 1 1 1 2375 1081 2421 1 1 1 1836 1 1 1 1 1 1 1 1 1 1676 1 1799 1054 2166 1686 1 1 1038 1 1 1 1 2451 1 1447 2137 1183 1 1 1 1 1 1 1 1 1 1 1 1 3242 1768 1 1 1391 1 1 1 1 1 1 1 1 1481 1 1 2045 1 1 1 1 1 1 1 3256 1 1 1 1 1 1 1732 86.0386 *86.0403* 86.0403@1.8105052 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 1650 1471 1161 1 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0403 *86.0416* 86.0416@2.889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 86.0416 *86.042* 86.042@1.2194408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1211 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 86.042 *86.0456* 86.0456@1.8586887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1709 1 1 1 1 1 1 1 1 1 1 86.0456 *86.0482* 86.0482@1.5834734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 86.0482 *86.0522* 86.0522@3.3201942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 86.0522 *86.0527* 86.0527@2.108836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 86.0527 *86.085* 86.085@5.148737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1288 1615 1 1 1 1 1 1 1 1 86.085 *86.0919* 86.0919@3.3186417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3132 1 1 1 1 1 1 1 1 86.0919 *87.0145* 87.0145@1.072412 1 1 3631 3318 1 1 1 1 1 1 1 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 1075 1 1 1 1 3230 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 87.0145 *87.0328* 87.0328@2.5031064 1 1 1 1 1 1 1 1 1 1124 1411 1 1668 1890 1055 1 1 1 1 1 1 1 1 1744 1 1 1 1 1792 1 1 1 1750 1689 1 1 1 2300 1592 1546 1 1 1 1 1819 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 1206 1 1 1 1 1 1 1 1771 1 1 1 1 1 1133 1 1 1 1 1 1871 1 1 1 1 1731 1 1 1 1 87.0328 *87.0682* 87.0682@1.2778842 1 1 2231 1 1 1 3309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 2263 1 1 1 1 1 1603 1 1 2048 1 1 1 1 2273 1 1 1 1 1 1 1 1 2449 1 1 1 1 1 1 1 1 1 1 1 1 87.0682 *87.0682* 87.0682@5.7362328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0682 *87.0683* 87.0683@5.9417157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 87.0683 *87.0683* 87.0683@1.2576003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0683 *87.0684* 87.0684@5.9709206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2577 1 1 1 1 1 1 1 2424 1 1 1922 1 1 1 1 1 1 1 1 2127 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 87.0684 *87.0685* 4-Aminobutyraldehyde + 5.195078 48302 39461 29769 30716 27953 24697 21163 21297 21196 23936 30569 34983 24530 25235 27401 24470 27669 29124 25906 29262 29911 31611 12536 11296 15732 18858 24493 25219 27312 25605 29367 27374 16689 13273 2303 25937 1489 44024 1602 24265 20697 19717 50540 50335 24107 21959 5258 30643 25242 6268 36668 33164 49445 44692 85683 88920 33738 35793 3530 46137 59398 57283 53249 51868 75224 3083 57292 55330 2800 65193 38937 43527 33746 34680 45729 50493 41260 46553 52988 57295 45612 45144 39529 38234 56354 50566 113117 115248 31014 30841 HMDB01080 C00555 87.0685 *87.0685* 4-Aminobutyraldehyde + 5.277363 72572 40747 35001 32479 35984 30572 30291 46614 24210 36217 36214 40713 29591 36867 36811 36728 31290 32746 1 34687 38556 41758 20863 18658 25086 3148 24566 36152 37528 31715 40637 31481 23212 25553 25282 33727 44850 70101 24660 33953 25607 25930 1 86372 34865 31874 4222 35927 1 4847 43054 44953 58558 58418 117409 116393 45555 45664 45701 51840 56269 82148 55817 81298 101236 6184 58443 49732 3577 88934 43889 45113 48258 44197 63341 48771 52467 55087 83929 56773 53591 58035 51498 56291 83364 58787 128726 127389 53721 55044 HMDB01080 C00555 87.0685 *87.0685* 4-Aminobutyraldehyde + 5.6039686 2438 1 1 5317 14142 1 8763 4310 4575 1 9177 1 3906 1 1 13237 1 7046 1 6189 11610 1 1 1 1 21555 5551 1 1 1 1 1 6835 1 1598 4613 12179 3906 5812 1 1 1 6094 2054 1 1 67712 1 1 2496 8829 1 1 4735 1 1 1 1 4647 8711 6523 1 1 1 1 100607 1 7570 92639 1 8810 5934 1 1 2736 1 1 9040 1 10421 1 1 1 1 1 9932 1 1 1 1 HMDB01080 C00555 87.0685 *87.0685* 87.0685@5.389047 1 1 1 16202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14130 1 1 1 17724 1 1 1 1 1 1 1 1 1 1 40246 1 1 1 1 1 1 1 1 31803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0685 *87.0686* 4-Aminobutyraldehyde + 5.375335 2073 18639 1 7861 20082 20126 1 1 6011 8538 1 1 1 15787 16723 7129 1 1 1 17691 1 1338 1 1 11077 2377 7311 15847 1 15911 1 1 14805 1 37235 19163 71081 1 35437 1 1 12322 1 1 1 1 29247 1 1 28843 31111 1 37056 33334 1 1 1 1 55489 1 24395 1 1 1 1 75515 24321 1 61617 1 25023 19921 18583 18150 17294 1 24936 20509 1 28277 20665 18788 21233 17828 1 22251 1 1 1 1 HMDB01080 C00555 87.0686 *87.0686* 4-Aminobutyraldehyde + 5.848556 8477 1 7373 8039 4696 7112 9648 6495 10059 8182 10234 7685 8531 9483 6829 7248 9253 7812 7132 7550 7337 7961 8771 9785 9068 6889 9021 7809 7163 7224 7455 9379 2982 7971 9258 8019 7268 7845 4722 8693 9881 8673 10151 10267 1 1 8318 8908 7131 13137 9009 1 1 1 3326 8587 1 1 5719 1 1 1 7464 8733 9428 10064 10849 10288 5510 10735 5983 8804 1 8358 1 7038 1 8266 1 15965 8650 8620 7336 9704 7262 8833 8503 7290 6468 10211 HMDB01080 C00555 87.0686 *87.0686* 87.0686@3.9749897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 87.0686 *87.0686* 87.0686@7.0017705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 87.0686 *87.0687* 87.0687@6.4050255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7688 6457 1 1 1 1 1 1 1 1 1 1 87.0687 *87.0687* 87.0687@7.5598483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1 1 1 1 87.0687 *87.0689* 87.0689@5.644641 7516 1 1 2880 1 1 1 3387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1 1 1 5768 1 1 1 5795 1 1 1 1 1 1 1 8149 1 1 9122 1 1 1 1 1 1 1 1 4548 1 1 1 1 1 1 12977 1 1 6192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0689 *87.069* 87.069@4.823793 1 1 1 1 1 1 1 1 1 1 1 10493 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42211 1 1 1 12001 1 1 1 1 1 1 1 1 1 87.069 *87.0691* 4-Aminobutyraldehyde 1 33971 36889 33563 36889 36958 39574 38638 35850 37911 37473 28401 35957 35960 37730 40951 40115 43409 22318 29954 38809 30804 1 31742 40814 39655 1 33615 41374 39239 35182 38387 41115 26566 37860 34302 42840 39498 30651 38999 38224 40551 38409 41720 56772 76752 68913 54394 37212 75731 25257 57158 71273 65011 79968 79169 63644 78066 57194 74913 63930 70308 60868 59935 58775 50711 61699 56999 55113 58589 62611 59186 61987 60311 63481 71844 18355 56733 49262 49172 47286 41504 60478 51712 55697 47002 63417 45027 43178 49764 HMDB01080 C00555 87.0691 *87.0737* 87.0737@5.0605545 1 1 1 1 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 1 1 1 1 1 1 1 1 1 6680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.0737 *87.0767* 87.0767@4.9387317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8450 1 1 1 1 1 1 1 1 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 1 1 1 36789 44013 1 1 1 1 1 1 1 1 1 1 87.0767 *87.1039* 87.1039@4.258284 1 1475 1 1 1 1 1745 1 1525 1 1 1 1 1 1422 1 1 1 1 1 1922 1 1 1 1 1 1 1440 1 1 1 1 1 1435 1 1 1 1029 1 1 1834 1122 1 1 1 1 1286 1 1 1059 1913 1479 1 1 1 1 1 1 1688 1 1 1 1 1334 2529 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4164 4724 1 1 1 1 87.1039 *87.1042* 87.1042@4.469701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4522 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1277 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.1042 *87.1044* 87.1044@4.5094147 1 1 1 1 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 9549 1158 1 1232 1 1 1 1 1352 1 1 1 1 1097 1 3584 2193 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.1044 *87.1045* 87.1045@4.3042793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 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 87.1045 *87.1046* 87.1046@4.2326503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87.1046 *87.9981* C3 H4 O S 4154 4256 2665 2670 3630 3205 3426 3769 3128 3343 5392 5804 2466 2667 2939 2512 5005 4731 3809 3771 3248 3083 3810 4228 3805 3253 4381 4280 4001 3975 3614 3822 5587 5107 4839 4968 5521 5031 5397 4972 4963 5293 3841 3876 4527 4837 4534 4452 4726 4616 5037 4488 6376 5313 5986 6680 7779 7612 4089 3941 5200 4921 6676 6271 6350 6450 8742 8746 7237 7441 7867 7650 6367 6527 5516 5048 5631 5829 5645 5387 5917 5742 5591 6303 5934 5409 6486 6773 4729 4828 87.9981 *88.052* 88.052@2.197539 2524 1 1 1 1 1 1 1 1 1422 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 1 1 1 1 1 1 1 1237 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 88.052 *88.0521* 88.0521@2.1498046 5900 1 2807 3250 3117 1 1 1 1 2788 1 1 1 1 2024 1 9922 6938 4825 1 1 1 1 1 1 2298 1 3483 1 1940 1961 2831 1 1 1 1 1 1 1 1 1 1728 2971 1 4898 1009 1 2136 1 1 1 1 1 1 1 1 1 2536 1841 1 1733 1 1 1 1 1 1 1 1983 2536 1 2439 1 1 1 1 1 1 19804 19006 1 1635 1 1 1 1 1 1 1 1 88.0521 *88.0521* 88.0521@2.6103659 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 13114 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 1 1 1 1 1 1 1 1 1 1 1 1 12586 2953 1 1 1 1 1 1 1 1 1 1 88.0521 *88.0522* 88.0522@0.78336596 1130 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2078 1 1350 1 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 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0522 *88.0524* Acetoin + 1.6291414 1057 19843 19105 19106 20427 19010 17995 18879 17079 18948 20310 19290 16151 16519 22845 1184 18959 25567 18279 19045 25947 25976 19057 19576 23382 22506 21358 19282 23881 22127 20398 20644 15608 17939 15991 17642 17786 15761 23917 23769 18897 20864 22351 20770 23370 24580 4556 18495 21445 22197 16603 17760 19158 19324 19849 18814 22571 23719 20721 21274 23983 24673 23176 23697 18183 19977 20205 5394 18178 18532 15799 15560 1035 26599 20316 19308 19635 19500 69119 72313 17802 17222 15225 14440 17931 18837 21328 19853 13418 14658 HMDB03243 C00810 88.0524 *88.0526* Acetoin 5798 6047 5072 5254 7729 6006 1021 7171 5904 11566 5450 6784 8157 10046 6421 6625 5609 4010 5962 7865 7355 6373 10104 9002 2895 3425 6703 7904 9655 7429 4466 11645 5057 4860 3623 3938 4351 3857 5927 7295 4475 3992 6699 6730 4689 4457 3807 1 4259 10669 5145 9762 5925 6324 4851 4304 5670 5669 4666 4638 4015 6206 3168 14109 3099 3746 5238 4338 2571 3359 2849 3087 3535 3709 4367 3979 4062 11752 20499 18815 6652 6231 4540 6110 4825 4614 3475 3336 4775 7309 HMDB03243 C00810 88.0526 *88.0526* 88.0526@3.734468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0526 *88.0528* Acetoin + 1.1832042 1645 1 1200 10176 1 1 7680 1 8804 1911 2791 1 1 1 1 1990 1 1330 1581 1 1 1599 1 1 11314 11275 1 1 7727 1 1 8100 1 2205 1 1 1 1 1 1142 4000 6455 1 1 1 1 1 1576 1 1019 1641 1978 1058 1 1 7826 1019 1 7682 1 4217 2114 1 1 1978 7325 1 1 8251 1002 1 1 1228 1 1 1 6300 1 1 2337 1 3395 1 1658 6857 6708 1176 1345 3434 1 HMDB03243 C00810 88.0528 *88.0529* 88.0529@1.293154 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 1592 1 1 1254 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1801 1 1191 1 1 1 1 1 2622 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 1 88.0529 *88.0529* 88.0529@3.1282532 1 1 2048 1 1 1 1576 1 1 1 1 1 1 2200 1 1 17611 15889 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2913 1 1 1 1 1 1 1 1 1 1 88.0529 *88.0529* 88.0529@3.5705972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4242 5291 1 1 1 1 1 1434 1 1 1167 1233 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 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1015 1341 1 1 1 1 88.0529 *88.0533* Acetoin + 1.2121301 4987 6679 4804 1 4491 10658 6773 5478 1 4925 5090 5774 5838 4719 6775 5317 1 2834 3609 3619 7822 7132 5849 7337 5960 5486 7273 7794 1 6410 4435 1 6093 3989 1 5635 4155 3788 6030 5551 1 1 6354 5059 1 2986 3503 3529 3478 3811 3967 6405 6571 7544 6428 1 3569 4778 1 6861 1 1 6312 6471 4017 1733 4774 5107 1 3722 6376 6217 4476 5265 7076 7994 1 6914 10139 5440 2915 1 6405 5013 1 1 4170 4123 1 2923 HMDB03243 C00810 88.0533 *88.0536* 88.0536@3.2742937 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1192 1 1 1335 1 1 1 2118 1 1 1 1 1125 1 1051 1120 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 1277 1 1 1 1 1 1 1 1088 1 1 88.0536 *88.0537* 88.0537@0.612516 1 2355 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 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 88.0537 *88.0538* 88.0538@1.7846763 19696 12065 10005 3087 10435 10020 8806 4774 9607 7646 10579 10055 6654 6485 8611 8805 15486 24504 2324 8593 11098 10607 7123 6652 9579 10334 9614 8267 14123 9520 3210 9978 7152 3034 1 7526 8168 6931 5676 9280 7326 7855 7888 9826 9482 10003 14275 3092 9918 5656 1 3744 6182 4319 5872 9443 10138 11217 7197 14551 1 1 10544 10071 1 1 7142 13565 8854 8910 5348 5563 25588 6786 7191 2604 1940 5081 87464 87687 8013 8894 6662 5870 5818 6487 1981 10023 5869 3446 88.0538 *88.0558* 88.0558@1.2090242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0558 *88.0559* 88.0559@1.7784711 11294 1 1 7139 1 1 1 3736 1 1 1 1 1 1 1 24111 3648 1 7101 1 1 1 1 1 1 1 1 1 1 1 7403 1 1 2741 5400 1 1 1 3923 1 1 1 1 1 1 1 5610 4453 1 2581 1 1 1 1 1 1 1 1 1 1 11494 11395 1 1 8093 8459 1 6433 1 1 1 1 7184 1 1 3911 7741 1 1 1 1 1 1 1 1 1 8174 1 1 1 88.0559 *88.0691* 88.0691@4.7569675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0691 *88.07* 88.07@5.321377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1322 1 1600 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 3269 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1 1 1 1 88.07 *88.0732* 88.0732@5.06013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 88.0732 *89.0298* C3 H7 N S 1 1 2174 2400 1 1807 2322 2418 1 1 1513 1 1 1399 1 1028 2420 3315 1502 1 2105 2036 1 1 1444 1 2479 2137 1 1446 1569 1237 1978 2048 1 1 1 1 1615 1495 1324 1222 1565 1670 1275 1 1767 1 2472 2986 1563 1573 1 1760 1 1 1900 2065 1 1 1 1504 2567 2638 2234 2403 2755 2918 1419 1297 1898 1921 1 1070 2579 3394 1 1 1 1588 1618 1790 1 1 1 1 1024 1839 1936 1933 89.0298 *89.0468* 89.0468@4.8221216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1358 1 1 89.0468 *89.0474* URETHANE + 4.806315 2170 1 2125 2260 3079 2660 4156 3175 2033 2341 3305 3434 3366 3250 2749 2373 2114 2765 3632 4194 2317 2508 4043 3520 1524 1821 2341 2879 3282 2887 3518 3109 3113 3539 2455 1 5274 5441 3353 3976 4292 3576 2134 2203 2485 1 1 2304 3157 2402 2586 1849 2575 2901 1030 1256 1199 1 2181 1 3797 4054 3670 1496 2985 2883 3223 3408 3512 3728 6155 6098 3127 2075 3173 2656 4004 4041 3401 2499 4361 4966 3387 3775 4273 4933 2766 1302 5153 4476 89.0474 *89.0474* 89.0474@6.97599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 89.0474 *89.0477* 89.0477@6.425222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1839 1 1 1 1 1 1 1 1 1978 1882 1 1 1 1 1 1 1 1 2435 1 1 1 1 1 2463 1845 1 1801 2638 1836 1667 1395 2051 1322 2596 3531 1 1 89.0477 *89.0478* beta-Alanine 5216 4437 5888 6365 6355 6343 6942 6681 8634 7926 6844 7030 5461 5900 6241 6125 5181 5876 6714 6105 5538 5812 6280 6552 7364 7018 7246 7325 4003 4657 6316 6410 5064 5678 5331 5133 4774 4849 7179 7744 5787 5346 5742 5802 6235 5460 4095 4333 5319 4927 13778 13698 8524 8692 6184 6704 6581 6541 4585 4578 10591 9694 5797 5180 9075 9491 6215 6875 6255 6832 14410 13835 5321 4754 8576 7988 16206 16298 12456 13692 17537 16220 13483 9426 14808 14817 13159 13475 9060 9226 C00099 89.0478 *89.048* URETHANE 3657 3524 3971 3714 8553 8506 4516 4890 7382 7311 6550 6087 5449 5646 3940 3582 5849 6705 7569 7543 5079 5801 5381 5151 4499 4591 7222 7035 5080 5302 5169 4859 7313 6765 3808 3793 6409 6297 1 10165 6833 6347 5533 5247 6896 7042 3764 4152 2410 2864 5889 5824 6948 6513 4318 3743 5991 5758 3061 2775 3928 3770 6114 5138 7405 7214 4452 4294 5010 4798 6597 6359 4450 4568 5491 5960 5097 4958 15835 15967 9703 9293 7686 7429 5759 6190 2904 2836 6122 6324 89.048 *89.0482* 89.0482@1.5080466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12808 13800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0482 *89.0553* 89.0553@1.7720913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 89.0553 *89.0797* 89.0797@6.9524994 1 1 1 1 1 1 1 1 3203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2947 1 1 1 1 1 1 89.0797 *89.0832* 89.0832@1.6203506 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 6098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10970 1 1 1 1 2192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0832 *89.0833* 89.0833@1.4666762 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 1 1 1 1 1 1 1 1 1 1 89.0833 *89.0834* 2-Amino-2-methyl-1-propanol + 1.5500723 3419 2171 1 1116 1 5943 9246 1 6005 7077 10487 1276 7232 7134 4477 1378 2494 1458 1928 1 1 11936 4051 1182 1 7940 1792 1 3927 1278 1 1 2430 1517 1 1 1 1851 2828 1 5080 1 1 1 1 1 1 1 1 1 2232 1 3405 1 1 3745 1335 1 1 2236 1 6751 2349 1 1 7296 1 1 1 1 1 1 2541 1 1 1 1 4340 1 1 1 4298 1 1 1 1 1 3729 2935 3094 89.0834 *89.0838* 2-Amino-2-methyl-1-propanol 21085 24541 18800 21065 20805 15254 12213 19840 13354 12814 6689 13558 13332 12840 17824 15132 20313 19793 18176 16899 18860 7223 14166 18940 18460 11146 18785 19979 20996 20462 9251 9462 6493 12393 11563 11899 10360 9173 10307 11209 5578 5468 11550 11426 12503 10882 3313 8424 6916 10550 9940 9916 8686 8420 12963 7941 10798 9920 8630 7845 13312 5342 10079 11973 14624 7623 13614 12986 9502 7116 9753 1 7042 10255 11786 8581 6463 3014 7219 8481 7731 5669 10647 6354 7480 1 7251 8866 6933 3957 89.0838 *89.0839* 89.0839@1.4159558 6010 2683 1895 2761 4298 1 1 3886 3927 1516 2147 1398 2734 2262 5227 2958 3569 1 1 2290 2465 5448 3542 1 2768 4673 2835 1 1 4556 1 1 1769 1 1 2294 1 1 1 2493 1391 1 1 1 1686 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 3182 1 1 2812 1 1 1 1 1 1 1373 1 2133 89.0839 *89.0839* 89.0839@4.1927986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3599 3149 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3236 3347 89.0839 *89.0839* 89.0839@6.291003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0839 *89.084* 2-Amino-2-methyl-1-propanol + 5.5505433 5963 1 1 4925 15254 3916 1 3915 1 2145 16302 2157 7116 9178 1 1 3991 1 1 8441 1 2489 4290 1461 1 2616 1 1 5786 5187 1 2903 7413 3697 17695 3844 13053 10496 7493 6629 1246 1 1 4078 23285 6288 28617 1709 1 8740 9005 9634 1 3111 11611 1 3792 8949 36715 12001 1 2652 1 1 2153 88745 4068 3835 2095 5743 5175 7593 1 6283 3736 1 4189 6006 2264 10443 6917 1 1951 1 1 5339 1 1 4703 5382 89.084 *89.084* 89.084@5.63379 1 1 1 1 16114 4692 1 1 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 3283 1 1 3559 1 1 10619 1 1765 1 1 3814 1 3809 8759 1 7815 1 1 1 1 5229 5973 4753 5501 13950 1 1 2175 1 1 1 17776 1 1 1 2244 8752 1 1 1 1 1 1 1 1 16656 1 1 1 1 1 1 1 1 1 3092 1786 1 1 2047 1 1 7899 1 1 4371 5255 89.084 *89.0841* 2-Amino-2-methyl-1-propanol + 4.6976533 8705 17460 8768 16991 16361 1 19608 1 19137 10325 22763 1 21577 10987 15539 1 12278 1 1 1 19129 25414 7978 18662 14661 5940 1 22721 15867 4638 1 21330 1 1 18059 1 25066 22022 25576 28627 12753 4075 1 4238 1 1 21336 25528 1 1 47003 1 1 1 15261 29205 41377 44985 39901 41388 33135 17983 19674 7182 12341 30812 31370 11067 15650 1 10528 1 1 13206 29981 20155 5711 32516 1 7039 33751 8518 1 28691 23743 22874 24566 1 1 1 89.0841 *89.0841* 2-Amino-2-methyl-1-propanol + 5.204487 82231 1 18258 16756 3270 9144 7647 1 6928 1 12466 13537 2926 6344 7337 8662 8587 6644 30138 16688 20520 21406 7256 6578 6413 2645 9774 11467 9086 8483 14698 12378 6803 1 4911 1 1501 27653 3097 1 7767 7379 9514 9413 11137 1 3572 1 1 1 6403 1 1 1 44486 58925 20941 25825 4801 22498 1 71538 62503 36515 86333 2036 107357 90945 19903 92525 12679 15902 10644 12813 11858 9877 13001 17701 1 27627 10063 10387 1 1 15203 20446 104319 106503 8266 8278 89.0841 *89.0841* 2-Amino-2-methyl-1-propanol + 5.330971 14219 1 9827 1 14707 7801 14013 9418 1 1 13775 14619 5680 1 1 10839 12247 1 1 14138 1 17120 4345 1 1 3550 1 12787 14273 1 21098 1 1 7533 5610 9083 46876 24808 12260 1 1 28153 1 27336 25227 1 2776 26592 18105 24381 21920 1 1 1 30894 45903 27851 21999 23477 24931 1 1 14186 26927 1 4421 1343 1 1752 1 16303 20634 1 1 1 1 28092 19013 3276 21444 11643 1 6255 1 23930 20631 16960 1 13780 12896 89.0841 *89.0841* 89.0841@4.7427096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16203 1 1 1 1 1 1 1 1 9552 1 1 1 1 1 1 12454 1 1 1 1 16144 1 1 1 3530 1 1 1 22614 7814 1 1 1 1 1 1 1 20000 15855 1 1 18102 12606 1 14409 1 1 1 1 1 6588 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0841 *89.0841* 89.0841@5.010026 1 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 4020 1 1 1 1 1 1 1 1 1 1 1 11272 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 1 1 1 1 1 1 1 1 89.0841 *89.0841* 89.0841@5.6109643 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 2852 1 1 1 1 1 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 10088 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 1 1 1 89.0841 *89.0842* 89.0842@5.3013015 1 1 1 1 1 1 1 1 1 1 1 1 6533 1 1 1 1 1 1 1 1 1 1 1 1 8840 1 1 1 1 1 1 1 1 1 1 1 1 5356 1 1 1 1 1 1 1 1 1 1 1 10975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89.0842 *89.9692* 89.9692@5.5810723 499221 500082 493933 3782 4243 5443 491254 1 5901 1784 3166 513143 4599 1 1 1 1086 1 1 2125 1 1 1 530224 1 5642 4481 4931 496404 497462 1 1 2597 2578 3692 1 3486 1 2914 4979 2250 1 1 1907 1938 1 1929 530777 1 1486 2028 1 1 1 2461 1 1 1 3566 1 1 6985 5368 1 5314 4046 1 1 1459 1 1 5863 1 1 1 4550 5869 3371 1 11701 1 9843 6475 1323 6008 1 1 1 1 6541 89.9692 *89.9692* 89.9692@5.0626073 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1308 1561 1 1 1 1 1 1 89.9692 *89.9693* 89.9693@5.8163624 1 4158 4260 4360 2078 1 4244 5610 3889 4451 5089 5426 2872 3844 4197 5187 6315 3838 1 1 1 5224 1 4255 1 4915 5586 4668 1 4291 5941 4331 1 5384 4048 1 4478 6347 4375 5386 4757 4102 4379 5239 3852 5246 5652 4078 1 1067 5124 1 5677 4295 5666 5841 1 4930 4159 1 1 5648 5497 1 1 4845 1 6276 4696 1 5445 5898 4236 4190 5313 5402 5126 2253 5272 5463 1 5250 4879 5264 4439 4585 1 1 5588 4429 89.9693 *89.9693* 89.9693@5.5943666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 89.9693 *89.9694* 89.9694@5.716559 1 1 1 1 1485 1 1 1 1 2639 1478 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 1079 1 1 1 1 1 1 1 1 1 3790 1 1 3842 1 1 1 1 2735 1 1 1 1025 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 4826 1 1 1 1 1 1 5702 1 1 1 1 1 1 1 89.9694 *89.9703* 89.9703@5.484081 1 1 1 492342 502706 497548 1 497013 511743 516002 511420 1 507654 515541 517514 521229 501166 505615 517573 516011 530612 523054 534088 1 504720 511120 519001 520839 1 1 528947 524566 544071 541495 518421 522277 514389 521618 540007 540381 550684 551890 521337 522064 533706 537896 524176 1054 544156 543041 693047 691281 629863 628601 607325 596729 574247 573830 559529 566656 696123 688437 564246 568111 634393 635266 637463 639804 550623 548243 757932 762752 558741 556067 596250 604122 724844 723495 710830 717579 748364 743061 725488 722825 729805 735362 713712 712639 636161 635210 89.9703 *90.0318* Dihydroxyacetone (glycerone) 13376 42297 1 1 4316 14661 12004 43892 8963 38717 36473 1 36105 8743 12404 11442 10527 51659 36816 11609 1 36979 12032 1 1 29860 33578 1 38232 34099 7940 9037 34357 1 41658 1 15646 34825 16049 57770 8126 1 34129 35101 11240 4952 34666 36750 32374 47218 1 1 1 1 8090 34878 35775 35781 29598 1 1 5380 20993 1 1 38565 37446 1 13361 1 1 11684 50465 1 20337 10148 38916 1 1 1 1 1 84221 1 1 1 1 1 1 1 C00184 90.0318 *90.0318* 90.0318@2.774683 16967 1 1 1 1 1 17661 1 12701 1 1 1 1 11649 19440 13372 1 22153 1 13755 1 1 1 1 1 6504 1 1 8535 1 14058 14988 1 1 16935 1 1 1 1 13960 13702 1 1 1 1 15232 1 11225 1 7295 1 1 1 1 17232 1 1 14557 1 1 1 29105 1 1 1 12973 1 1 1 1 1 7762 18890 1 14647 1 5580 1 1 1 1 1 15304 1 1 1 1 1 1 1 90.0318 *90.0318* 90.0318@2.7805493 1 1 1 1 1 1 1 1 5693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11120 1 1 5197 1 1 1 1 1 1 1 1 1 1 1 4017 1 1 1 1 1 1 1 1 10830 1 1 1 1 9644 1 1 18585 1 1 1 1 1 1 1 6342 1 1 1 1 1 1728 1 1 1 1 1 1 1 1 1 1 3268 1 1 1 1 1 1 1 90.0318 *90.0327* 90.0327@1.3097531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 2396 2735 1 1 1 1 4038 3510 1 1 1 1 1 1 1 1 1 1152 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 90.0327 *90.0437* 90.0437@1.3169 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 1 1 1 1 1 1 1 1 6969 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0437 *90.0462* 90.0462@3.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 90.0462 *90.0465* 90.0465@1.1082786 1 1 1 1 1 1 1 1 1 1 1 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 2883 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 3532 1 1 1 90.0465 *90.0468* C7 H6 3693 3526 3691 3417 4286 4277 4351 4768 4198 3833 3226 3737 3443 4508 5307 2967 4236 4032 5114 4579 5182 2430 3497 3569 3737 3865 3841 4225 2608 1 3881 4223 4552 3337 5191 3337 1553 3723 3885 3825 5018 2331 2841 3510 2879 3333 3378 3061 3764 3749 4139 4393 6106 2630 3823 3703 2666 3282 4089 7219 4345 1973 4248 4001 4387 4476 3868 3792 4258 4538 4130 3441 2744 2761 3234 3668 4058 3963 4449 4532 3010 3096 4512 3924 3265 3050 2818 7336 3129 3331 90.0468 *90.0469* 90.0469@1.1324273 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1720 1 1 1 1 1 2949 1 1 1 1 1 1 2086 1 1 1 1 1962 3578 3672 2204 1 1 1 1 3113 1 1 1 1 1 1 1 1 1 1 1718 3369 1 1 1 1 2537 1 174526 184446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4947 3392 1 1 90.0469 *90.0499* C4 H10 S 12425 12135 12007 11875 12153 11769 11563 12313 13137 12791 13029 12514 12484 12784 12729 12413 12504 11777 12740 12695 13041 12904 13358 13307 12457 12575 12735 12929 12196 12065 12280 13030 13702 13319 12951 13117 12630 12656 13165 13438 14098 14315 12872 12659 13302 13182 13075 13283 13277 13729 18741 19350 16118 16064 15496 14820 14465 15112 14355 14458 18408 18354 14108 14312 16610 16612 16822 16901 14017 13791 20954 1 14391 14760 15653 15935 19348 19536 19208 18812 19881 19662 19142 18763 19104 19286 19298 18614 16053 16130 90.0499 *90.0835* 90.0835@5.4879603 3301 3201 3454 3365 3713 3489 3384 3455 3720 3766 3463 3401 3625 3689 3660 3727 3653 3510 1 3789 3919 3619 3445 3683 3306 3475 3690 3504 4051 3279 3461 3686 3810 3875 3744 3496 3562 3676 3615 4065 3852 3825 3540 3587 3850 4202 3932 3606 4089 3929 5428 1 4482 5160 4265 4174 4041 4229 4209 4275 4904 4936 3998 3990 4675 4443 4783 4956 3879 3756 5906 1 4129 3990 1 4790 5454 5426 5336 5106 5800 5496 1 5287 5175 5060 5252 5139 4078 4378 90.0835 *90.0864* 90.0864@5.3190255 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1146 1 1975 1 1 1 1 1109 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.0864 *90.1238* 90.1238@5.493161 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90.1238 *91.0414* 91.0414@2.4031372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 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 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91.0414 *91.0417* 91.0417@2.374756 1 1 1 1 1 1205 1 1 1 1 2210 2147 1 1 1 1 1 1 1709 1230 1 1 1 1 1 1 2721 2624 1 1 1 1 3271 3367 1 1 1 1 2081 2240 1 1 1 1 1 1 1 1 2755 2815 1 1855 1 1 1 1 2793 2812 1 1 1 1 2226 2264 1865 1677 2370 3506 1 1 1 1744 1 1 1649 1441 1 1 1 1 2145 2395 1 1 1736 1985 1 1 1 1 91.0417 *91.0422* 91.0422@1.1984578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1459 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 2626 1 1 1 1 1 1 2593 2635 91.0422 *92.0334* 92.0334@1.2012882 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0334 *92.0371* 92.0371@1.1991239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2874 1 1 1 1 1 1 2978 3021 92.0371 *92.0374* 92.0374@1.670783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0374 *92.0405* 92.0405@1.6751925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1189 1 1570 4912 1 1 1 1 1 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 1 1 2021 1 92.0405 *92.0424* 92.0424@1.1999474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0424 *92.0444* 92.0444@1.66308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2381 1177 1 1 1 1 1 1 1 1 1 1 92.0444 *92.0468* 92.0468@2.1935513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1709 1591 1 1 1 1 1 1 1 1 3716 3682 1 1 1 1 1 1 1 1 1 1 92.0468 *92.0618* 92.0618@1.2222033 1 1 1 1 1 1 1 1 1 1 1 1345 1 1182 1 1 1 1 1338 1613 1 1 1 1 1 1 3477 1 1 1 2498 2370 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1487 1460 1 1 1050 1 1 1 1 1 1560 1596 1 1 1 1 1 1 1 1 2116 1968 1 1 1 1 1305 1578 1 1 1309 1198 1 1 1528 1840 1 1 1 1 1 1 92.0618 *92.0626* 92.0626@1.4304708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5400 4511 1 1 1 1 1 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92.0626 *93.0327* 93.0327@4.003831 1 1 1 1 1 1 1 4916 5666 1 1 1 1 1 1 1 1 1 5531 1 3918 3067 1 1 1 1 1 1 1 1 1 1 1 1 2598 1 5384 1 3679 1 5530 3311 1 1 1 1 1 1 1 1 1 1944 10939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7716 1 1 1 1 1 5200 1 3601 1 1 1 1 1 1 1 1 1 1 1 93.0327 *93.0327* 93.0327@3.897257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0327 *93.0328* 93.0328@1.6384178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 23290 14312 1 1 1 1 1 1 1 1 1 1 93.0328 *93.0328* 93.0328@3.4999282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4847 4333 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0328 *93.0329* 93.0329@1.8775452 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6007 1 1 1 1 1 1 1 1 1 1 1 1 5706 1 1 1 3645 1 1 1 1 4004 9422 1 1 1 1 1 1 1 1 1 1 1 1 15570 1 1 1 1 1 1 1 1 1 1 93.0329 *93.0329* 93.0329@3.0258715 1 1 1 1 3902 1 1 1 1 1 5532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15267 1 1 1 13719 1 1 1 5172 1 2895 1 3027 1 1 1 1 3744 1 1 4323 1 1 1 1 1 8321 4915 1 1 1 1 3442 1 1 1 1 1 1 1 9443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4760 1 1 1 1 1 93.0329 *93.033* 93.033@3.009562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.033 *93.0331* 93.0331@0.6637462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3754 1 1 1 1 1 1 1 1 1 1 4421 1 1 4637 1 1 6291 4588 1 1 1 1 1 1 93.0331 *93.0331* 93.0331@2.8945916 1 4755 1 1 1 1 1 1 1 5278 1 1 6222 1 1 1 10230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5686 1 2719 1 1 1 1 2251 1 1 5038 1 1 1 1 1 6425 2639 1 6055 1 1 4957 1 1 1 1 1 1 5831 5178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 1 93.0331 *93.0333* 93.0333@0.9220895 1 1 1 1 1 1 1 7551 1 1 1 1 6550 1 1 1 8577 1 1 1 1 1 1 1 1 1 1 1 1 1 7582 1 1 1 1 1 1 1 1 1 1 6287 1 1 1 7535 1 6245 1 2862 1 1 1 1 5391 1 1 10101 1 1 1 1 1 1 1 1 1 5942 9742 9986 1 1892 1 1 1 1 1 7127 1 16925 6693 1 9701 1 1 1 1 1 5985 1 93.0333 *93.0333* 93.0333@1.3383015 1 1 12166 7930 2103 1 1 10677 1 1 1 4465 1 1 1 1 1 1 1 1 13518 1 1 1 1 1 1 1 1 10472 1 1 1 1 1 1 1 1 1 1 1 9016 1 1 1 1 6759 1 1 1 8548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18396 93.0333 *93.0334* 93.0334@1.2406162 1 1 2910 3290 5251 1 8038 1 1 1 1 1 5070 1 1 1 1 3735 6218 1 5555 7975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7148 4571 1 1 3127 1 1 13540 6472 1 1 1 1 3415 1 1 1 6612 1 1 1 1 1 5740 1 1 5453 1 1 1 11474 1 1 1 1 1 8506 12960 1 6625 9574 1 1 1 1 93.0334 *93.0334* 93.0334@0.7899397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4817 1 1 1 1 1 1 1 5990 1 1 1 1 1 1 1 1 1 1 1 9189 1 1 1 1 2840 1 1 1 1 1 1 1 93.0334 *93.0339* 93.0339@2.1592522 1 1 1 2897 1 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 5033 1 1 1 1 1 1 1 1 1 1 8107 1 1 1 7761 6134 1 1 1 1 1 1 1 1 1 1 1 1 1 4831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1 1 1 1 1 5502 1 93.0339 *93.0339* 93.0339@0.82807916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3230 1 1 1 1 1 1 1 93.0339 *93.0439* 93.0439@5.6182246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0439 *93.0479* 93.0479@5.6137066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 93.0479 *93.0533* 93.0533@5.583966 1 1 1 1 1 1 3466 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 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4791 1 1 1 1 1 1 1 1 1 5278 1 1549 1 1 1 1 1 1 3988 1 1 1 1 1 1 3653 1 1 1 1 1 1 1 1 93.0533 *93.0539* 93.0539@5.612312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93.0539 *93.0562* 93.0562@5.5893736 1 1 1 1 3391 3900 2615 1 2600 1 14763 10439 8790 7521 1 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 2828 2995 1 1 1 1 1 1 1 1 1 1 1 1 12034 9273 3987 3639 2579 3318 1 1 4912 4363 1 1 3526 3836 1 1 7250 11095 6055 7418 1 1 2749 1 7547 5369 6352 5331 1 2490 1388 1 1 1 6627 6849 1 1 93.0562 *93.0571* 93.0571@5.5214343 1 1 1 1 2841 1 1 1 1 1 9016 6952 5896 5851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7711 5266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4485 8528 4007 1 1 1 1 1 4613 1 4089 1 1 1 1 1 1 1 4160 4442 1 1 93.0571 *94.0167* 94.0167@2.1997588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6971 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 1 1 1 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4673 4892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0167 *94.0526* 94.0526@4.0313487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0526 *94.053* 94.053@4.358336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 94.053 *94.0757* 94.0757@1.1509082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0757 *94.0763* 94.0763@1.367527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 2598 2607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 94.0763 *94.077* C7 H10 1636 1994 2520 2967 2547 2391 2298 2783 2364 2287 2066 3227 2803 2959 2108 3378 2948 2075 2665 1762 2497 2446 1 2643 1797 2208 1524 2426 2478 1812 2975 2420 2140 2407 2698 2116 2569 2810 2595 2970 1 2921 1622 2090 1932 2296 2154 2116 2182 2140 3803 3739 5022 4414 1908 2666 1813 1 2441 1545 2065 1710 1923 1921 2049 2396 1753 2208 2747 3174 1535 2032 2555 1882 1612 1643 2049 2556 2825 2782 4282 2271 3504 4281 1 1594 2337 2833 2163 2614 94.077 *94.0776* 94.0776@1.1955029 3657 3415 4634 4168 3005 2792 3738 3529 4355 3748 8144 7620 4105 3231 3582 2634 1043 2821 3774 4147 3739 3024 3203 4746 5066 3961 7817 6617 4022 4715 2630 2836 5190 4917 4984 5194 8055 7319 4158 4418 5406 4436 4651 5253 11407 12796 3570 3353 4521 4356 2653 3349 3409 4243 4788 4566 2705 3081 2549 3866 2679 1 2380 2790 2279 2675 4270 3929 3947 3843 2279 2696 3500 3212 2869 3369 2824 2090 5006 5108 1842 3898 5189 5003 2281 3055 5335 5084 1098 2101 94.0776 *95.0367* 4-Hydroxypyridine 1 1 1 1 6881 7112 1451 1 3427 3781 6296 5793 4170 4934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2276 1 1 1 1838 1941 3654 3762 1 1 1406 1771 2087 2590 3584 3568 2399 2218 2028 2145 1336 1416 1 1 8380 11607 3555 3842 7080 6572 3962 3893 2374 2895 1 1 2850 2409 1 1 9128 9774 5341 6259 1528 1 7265 1 2182 2163 5394 5593 4413 1 1 4877 1 2119 4200 4633 1944 1 95.0367 *95.0367* 95.0367@3.1678894 1 1 1 1 1 1 1 1017 1 1 1 1 1361 1 1 1 2114 1 1 1 1 1 1 1 1 1 1 2912 1 1 1 1 1 1 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 3967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0367 *95.0369* 4-Hydroxypyridine + 3.0643036 39450 39848 17859 17279 190797 187061 102798 103918 97285 97029 258712 263096 102046 101524 13679 13295 5102 7559 120540 121455 3973 3611 54888 56251 3366 3141 5668 3109 144371 144669 3746 3764 57377 56358 149496 150436 40887 40086 26682 26457 163998 169574 50918 50329 93409 96073 66493 66098 109407 108236 18925 17869 370961 367311 69405 73111 80714 81158 119774 117551 61253 63144 3397 3755 128855 131265 40668 39291 505037 510855 144632 144467 240606 242556 28838 32069 338208 346428 467607 461688 74647 75536 126047 126486 33781 33551 216767 217431 30414 29980 95.0369 *95.037* 95.037@0.83348346 1 1 1 1 1 1256 1 1 1 1 3953 2718 3140 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 1845 1 1 1 1 1 1 1 1 1310 1 1 1965 2096 1876 1 2982 2597 1 1 1 1 2154 1774 2237 1 2139 2745 1 1 1 1 1408 1337 3214 2857 1 1 95.037 *95.037* 95.037@6.086774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1056 1 1 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.037 *95.0372* 4-Hydroxypyridine + 4.290232 1 1 1 1 2001 1933 1346 1 1503 1480 4295 3904 1 1 1 1 1 1 2214 2075 1 1 1 1 1 1 1 1 1 1 1 1 1730 1448 1036 1358 1 1 1056 1592 1 1 1 1 1147 1 1265 1 1 1 1 1 3151 3033 1 1 1322 1 1 1351 1873 1633 1 1 2501 2528 4933 4682 9593 10121 1947 1631 2412 2216 1 1 3323 3057 3137 2974 1 1 1391 1 2980 3002 1574 1909 1 1 95.0372 *95.0375* 95.0375@1.3975115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0375 *95.0375* 95.0375@1.8540585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 3358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 95.0375 *95.0381* 95.0381@1.4558077 1 1 1 1 1004 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1621 1 1 1 1 1 1 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 95.0381 *95.0698* 95.0698@6.607126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1845 1 1 1 1 1 1 1 1 1 1 95.0698 *95.1194* 95.1194@3.0663972 1 1 1 1 2795 2727 1 1 1 1 4360 4350 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1889 2053 1 1 1 1 1870 2142 1 1 1 1 2469 2591 1 1 1 1 1 1 1230 1 1 1 6723 6714 1 1 1 1 1 1550 1 1 1 1 1671 1797 1 1 10658 10531 2091 2043 4123 3704 1 1 5912 6310 9541 9334 1 1 1816 1 1 1 3436 3361 1 1 95.1194 *96.0209* 96.0209@2.7600033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0209 *96.021* 96.021@2.6605124 11484 1 1 1 1 1 1 1 1 1 1 1 1 18318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7054 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 6579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.021 *96.0211* C5 H4 O2 8045 13986 20082 18725 24695 5619 26942 24432 17626 1 9808 1 7661 8265 13286 14988 20273 18465 1813 12063 9514 9399 15989 3515 22266 22266 6770 7962 12720 6075 22081 18265 1 11933 7030 19531 11240 7167 15754 4923 17515 18249 18777 18375 2604 12680 21906 24275 10622 4915 19318 20703 15065 2812 5511 8945 3680 17550 7348 1373 28164 13558 15159 13581 7359 23668 16312 17291 17162 18636 5731 23924 14129 26883 8054 3301 25839 15517 28756 30869 7967 11506 7099 15978 6350 20670 15284 22646 23626 24834 96.0211 *96.0211* C5 H4 O2 + 2.5190237 4091 9795 17350 15283 1 1 1 1 1 1 6436 13451 8433 8232 13756 13495 14145 1 8531 1 7065 14573 1 11521 12953 14283 16135 13703 1 11749 12274 13560 1 12546 12957 10592 5659 6187 11473 2552 1 13557 1 1 9927 1 14377 1 11067 4448 13042 8575 1 4262 10668 9082 7265 10649 7067 13346 13463 1 13886 11751 12327 18136 1884 1 12251 11543 10212 10072 10643 1 6932 9077 1 8152 1 9270 9962 1 13250 1 11874 7254 1 1 1 1 96.0211 *96.0211* 96.0211@2.6462696 5381 1 1 25807 1 1 1 1 21966 1 1 12754 13591 11644 14501 29357 1 1 15494 1 10947 1 1 10858 18579 6116 1 1 16565 15330 1 1 1 1 1 5402 11764 9923 1 12419 1 1 1 1 10023 1 1 1 1 4470 1 1 1 7651 1 10923 11695 1 1 1 1 1 12673 1 16069 10219 7348 1 1 8369 1 1 18769 1 1 8994 23281 1 1 6833 1 1 1 1 1 1 1 1 1 1 96.0211 *96.0211* C5 H4 O2 + 2.772176 15729 17888 25238 1 1 1 1 19667 20099 1 1 18443 7169 4629 11357 1 8697 1 28541 1 1 1 1 17248 5861 15151 1 1 1 24764 1 1 1 19011 21168 19419 20535 27075 14151 18540 1 1 1 21703 18089 1 14350 1 17540 1 28507 1 1 12828 1 21323 14265 33143 1 18154 1 1 1 20458 1 14569 15182 1 1 22138 1 10516 12610 1 10340 8037 13946 1 1 24828 1 1 1 1 1 1 1 1 1 1 96.0211 *96.0328* 96.0328@1.4346657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7225 12030 1 1 3825 4834 1 1 2657 3138 1 1 2096 1 1 1 1 1 1 1 1 1 2864 3122 1 1 1 1 11392 6942 1210 1957 1 1 1 1 1 1 1 1 96.0328 *96.0328* 96.0328@1.501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 96.0328 *96.0409* 96.0409@3.0886328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0409 *96.0545* 96.0545@1.0981182 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 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 96.0545 *96.0567* 96.0567@2.1937537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5231 3578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96.0567 *96.058* 96.058@1.2224553 1 1 1 1 1 1 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 1156 1 1 1058 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1100 1 1195 1 1 1 1 1 1579 1 1 1 1353 1 1 1 1 1 1199 3836 1 1 1409 1222 1 1 1333 1 1 1 1 1 1 1 96.058 *96.069* 96.069@4.499324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1150 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 1083 1 1 1 1 1 1 1 96.069 *96.092* 96.092@1.1983662 1 1 1 1260 1 1 1 1 1 1 2229 2676 1 1 1 1 1 1 1 1 1 1178 1 1 1816 1 2655 1713 2134 1 1 1 1 1 1 1127 1892 15170 1 1 1 1 1084 1 3095 1 1 1 1 1 1 1 1372 1 7802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1536 1 1 1 1 1 1 1 1271 1 1 96.092 *96.0928* 96.0928@1.1946898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322 1053 1 1 1 1 1 1 1 1 1 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 1858 1 1 1 1 1 1 96.0928 *97.0503* 97.0503@6.3135476 1 1 1 1 1 1 1 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 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1979 1 1 1 1 1 1 1 1 2604 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2287 1 1 1 1 97.0503 *97.0517* 97.0517@1.581936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0517 *97.0518* 97.0518@2.2116504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2885 1 1 1 1 97.0518 *97.0522* 97.0522@1.4934416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3105 1 1 97.0522 *97.0524* 97.0524@2.1354563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17601 17877 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4426 4785 1 1 1 1 1 1 1 1 1 1 3756 2607 1 1 4728 4664 1965 1 1 1 1 1 1 1 1 1 3447 2138 1 1 1 1 97.0524 *97.0526* C5 H7 N O 8003 7833 6305 6033 5188 5626 4208 4060 1 1 10244 10834 7844 7654 10526 9362 5207 6064 10171 10678 20983 21207 6744 6650 7035 3227 17496 17670 3771 2818 13570 13941 11732 11391 6583 5918 9023 8790 8541 7887 16811 16659 8890 8520 8996 9819 8273 7980 11514 11764 10498 9608 8008 7384 10904 8660 8675 9695 2010 1816 10371 9441 8097 8784 9316 9680 19873 13205 7910 1591 2610 5637 5409 5721 7180 6958 4703 4206 7813 8332 8502 4090 7291 8111 5985 6208 8812 8193 7993 6463 97.0526 *97.0528* 97.0528@1.6065128 1 1 1 1 1816 1 1 1 1 1 1 2067 1 1 1 1 1 1 1621 2339 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 2937 3110 2922 3791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2512 1 1 1 1 1 2744 2488 1 1 1311 2014 1 1 1 1862 2179 1 3827 2552 1 1 97.0528 *97.0529* 97.0529@2.9054737 1 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 2057 1 1 1 1 1 1 1 1 1 1 1 7288 1 6349 2454 1 1 1 1 1 1 1 1 1 1 3651 1 1 1 1 1 1 1 2745 97.0529 *97.0563* 97.0563@1.5658537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0563 *97.0637* 97.0637@1.1018382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 97.0637 *97.0876* 97.0876@6.4498405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97.0876 *97.0883* 97.0883@4.4930673 1 1 1 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 2038 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 1250 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1947 1 1 1 1 1 1 1 1 1 1 1 97.0883 *97.0888* 97.0888@1.7175632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43400 41671 1 1 1 1 1 1 1 1 1 1 97.0888 *97.9676* 97.9676@13.392711 1 1 1 1 1 1 1 1 1 1066 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 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 97.9676 *97.9764* Phosphoric acid 4483 4238 2992 3175 4486 3633 4556 4587 4095 4208 3568 3753 5444 5929 4256 4645 2458 2424 4863 4445 4579 4502 5872 6478 4920 5017 4422 4346 5073 5570 4511 3993 3202 3350 3045 3094 3800 4292 3075 3288 3752 3804 3512 3499 3457 3863 3242 3189 2970 3055 4143 4015 6559 6716 2532 2481 3608 3930 2906 2682 4005 3972 3273 2942 3592 2893 2977 3069 2968 2492 1976 1907 3217 3025 3427 3399 3358 3462 4003 3529 4002 3898 3452 3375 2718 2930 2451 2745 3145 2988 HMDB01429 C00009 97.9764 *97.9768* 97.9768@1.1797268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2009 1823 1 1 1 1 1 1 1 1 1 1 97.9768 *98.0365* 98.0365@2.6414194 1 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2476 2713 1 1 1 1 1 1 1 1769 1 1 1 1 1 1 2996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0365 *98.0366* 98.0366@2.0548568 1 1 1 1 1 1 1 1 1 1072 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2028 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0366 *98.0367* beta-vinyl acrylic acid 5002 3930 8336 1 1 1 2776 1 6376 6153 4399 7853 4146 1 1 1 6342 1 3679 5427 1 1 4871 7503 9889 1 5705 9102 1 1 2539 1 3437 3710 4358 6426 1 2700 4350 2906 5340 4531 6509 5049 2029 1 2982 4969 2390 3279 4948 10151 4979 1 4917 4708 7565 4404 4070 3029 7887 10489 3746 3692 5267 6679 1 2945 1 3868 9619 11559 6793 2157 5337 1 1 8159 1 8165 7052 6858 14556 6340 8522 7839 3924 14739 1 4979 98.0367 *98.0367* beta-vinyl acrylic acid + 2.5160997 13584 12277 16298 13757 9703 13634 18296 1 15384 12661 14643 14315 8995 11044 10682 12710 12987 1 17858 15140 13723 3436 17532 15485 6127 1925 1 12668 10466 10652 14098 15995 11273 11640 15915 15074 24651 23125 16168 20001 20973 19334 14735 15294 8748 10829 16905 19668 12321 9847 20643 23955 21293 18259 13908 17457 11230 9081 22088 19572 35135 32163 22303 24272 14303 15578 13486 12978 16696 17871 32705 32688 11497 15336 16707 11880 1 27041 1 23646 27516 26351 21647 24585 33073 34583 20951 22782 29084 25853 98.0367 *98.0367* 98.0367@2.7862573 3263 1 5099 1 1 7796 1 1 1 5565 4737 5782 9297 1 1 1 1 1 1 1 1 1 1 4241 1 4597 1 4025 1425 1 1 1 1 1 5825 5621 3113 1 4583 4915 1 1 2822 1 1 3455 1 1 1 1631 6858 1 1 1 6724 3093 1 1 4319 3585 1 1 1 5306 1 7735 1 1 5035 1 1723 1 5695 1 1 2388 1 3366 1 1 1 1 1 1 1 1 1 1 3708 1 98.0367 *98.0367* 98.0367@2.4004192 2622 1 1 1 1 1 9746 1 1 1 5935 1 1568 1 1 1 2374 1 1 1 1 1 2166 1 1 1 1 1 1 1 2774 1 1 1 4763 7382 1 1 2992 1 1 4400 1 1 1 1 3009 1 1 4823 5503 1 1 1 1 1 1 1 9485 1 1 1 1 1463 2753 4687 1 1 1 1 5995 3472 8946 1 1 1 1 8352 1 1 4687 1 1 1 1 1 1 1 1 3024 98.0367 *98.0367* 98.0367@2.7714698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0367 *98.0372* 98.0372@1.2387352 1 1 1 1 1433 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 1273 1 1 1 1 1 1324 1 1024 1291 1731 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 1942 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1457 1126 1 1 98.0372 *98.0372* 98.0372@2.4056556 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 2803 1 1 1 2626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0372 *98.0373* 98.0373@1.2500781 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0373 *98.0377* 98.0377@1.7457252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 2820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0377 *98.038* 98.038@1.462362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1709 1 1 1 1 1 1 1 1 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3281 3552 1 1 1 1 98.038 *98.048* 98.048@4.1051693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.048 *98.0536* 98.0536@1.63618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 98.0536 *98.0612* 98.0612@1.220171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2089 1 1 1 1 1 1 1 1 1 1 1 1 98.0612 *98.0665* 98.0665@1.2178403 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0665 *98.0715* 98.0715@1.1302985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4249 1 1 1 1 2421 1 1 1 7042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4511 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 3135 1 98.0715 *98.072* 98.072@1.1864309 3312 7191 1 1 1 1 1 4681 4271 4259 4732 2598 1 1 5815 1 1 2798 1 5870 4706 1 5577 6224 4066 3708 1 1 5134 7076 1 3316 3053 2749 1 1 1 1 1 7133 1509 1 1 1 1971 1 1 1 1 1 2576 2699 2386 4622 1 1 1 1 1235 3968 1 1 1 4554 1 1 1 1058 1 1 1 1 6727 5681 1343 1 1 1 1 8402 1169 1 9892 1543 2044 4316 1 8648 1 3186 98.072 *98.0724* 98.0724@1.2010243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98.0724 *98.0728* 98.0728@4.6423726 1 1 1 1 1 1 1 1 1 1 1 1 1 2190 1 1 1 1 1261 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 2299 1 1 1 1 1 1 1 1 1823 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 1 1 2949 1 98.0728 *98.0805* 98.0805@4.791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 98.0805 *99.0318* 99.0318@1.3245151 1 1 1 1 3165 2888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0318 *99.0323* C4 H5 N O2 1323 1225 2019 2128 22872 21796 2540 2660 1001 1456 1563 1815 1455 1364 1744 1454 1 1000 2068 2137 1212 1318 1 1 1291 1467 2275 2389 1290 1 1752 1482 2629 2452 1218 1098 1634 1802 1543 1692 2189 2149 1128 1614 1508 2147 16918 15711 2606 2567 1210 1512 3032 2853 2233 2433 3617 4124 1014 1225 2184 1666 2050 1876 5882 6171 7950 7319 1734 2242 1330 1491 2574 2210 2990 2849 1360 1552 1062 1090 1233 1 1904 1832 1 1 1775 1675 1473 1536 99.0323 *99.033* 99.033@2.066067 1 1 1 1 6858 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 1733 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 5041 5826 1 1 1 1 1 1 1 1 1 1 99.033 *99.0354* 99.0354@2.1788113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 99.0354 *99.0355* 99.0355@2.390661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 1994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3743 2728 1 1 1 1 1 1 1 1 1 1 99.0355 *99.0475* 99.0475@4.1111465 1 1 2654 2743 1 1 1 2776 1402 1 4227 4406 2307 2498 1 1919 3073 3241 3434 2726 3385 4488 2123 1 2548 1 6138 5407 1 1 3362 3872 4134 3028 2050 2639 2767 2771 3334 3169 2510 2407 1866 2374 2307 2536 2240 2843 4221 4417 2399 1910 2919 2710 2031 2543 3434 2972 1 1 5646 6238 4928 4912 2987 2621 15510 14572 3363 3610 3293 3923 2387 1922 1 1 2594 2879 3963 3769 3331 3353 1877 1 5187 5223 3978 5001 4174 3738 99.0475 *99.0488* 99.0488@4.1176805 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1832 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 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0488 *99.0577* 99.0577@4.115896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0577 *99.0639* 99.0639@4.1484733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0639 *99.0657* 99.0657@1.2106466 1 1 1 1 4441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.0657 *99.0674* 99.0674@4.521251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 99.0674 *99.0676* C5 H9 N O 1 3144 3447 1961 2997 1601 3038 2034 3046 1982 2176 1 2263 1783 3208 3759 1786 2296 2298 3082 2840 2840 1 2619 3743 2814 1 4690 2505 2210 1600 2572 4745 2222 4377 2226 1 2826 3728 2762 3587 4005 2623 3668 2685 2644 1 1 2530 2086 3187 2774 3837 18923 2440 2578 3886 1573 3236 2122 1043 1 1 3270 4087 5963 1647 1158 2569 6011 4043 3052 1927 2927 2429 2816 1 1226 2526 2528 1 1 3374 2495 2569 5357 4394 2855 1 1 99.0676 *99.0678* 99.0678@2.7420654 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 4029 1 1 1 1 2304 1 1 1 1 1773 1 1 1 2222 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4982 4734 1 1 1 1 1 1 1 1 1 1 99.0678 *99.0679* 99.0679@6.1172957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1091 1589 1919 1 1 1147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2078 1 1578 2312 2031 1975 1 1 1 1 1 1 1828 1449 1 1 1 1 1 1411 1 1 1691 1373 1874 2151 1639 1206 1 1 2101 1471 99.0679 *99.068* 99.068@2.9667568 1 1624 2234 2262 1 1 6360 3559 2813 1 5684 1701 1 7348 10697 9980 9782 3255 6989 2973 5639 5572 1 1 5529 1 1 1 4090 1 1 1 1 1 3345 1 1 1 1 4596 1 1225 1978 1 1 1 10556 1 14357 1 5099 5135 9609 1 1467 1 1 1379 1 1 19323 17895 1 10730 7145 6956 1959 8480 10736 11157 1 1 9517 1 26374 5009 1 2541 1 1 1 8695 6132 1 1 3679 3110 5302 1 2695 99.068 *99.068* 99.068@3.0713234 1 1 1 1 1 1 1 1988 1 1 1 1 1 1 1 1 5413 1 14956 14363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1298 1 1 1 1 1120 1 4228 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5272 1 1 1 1 1 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 3268 1 1 1 99.068 *99.0681* C5 H9 N O + 1.636126 1 1 1405 3727 4198 1 4856 4302 2763 1729 4506 1 3274 3704 1 4307 8094 1 4790 7007 3735 4935 1508 1 1 1 8503 8491 1418 1 1 6722 8015 7197 3621 4604 5945 4616 2653 3438 5117 1 3163 2810 10584 9560 7323 6575 13267 14442 13019 14358 5907 5037 3738 3944 4331 5129 1 1 4063 3887 12651 13972 5520 8638 12758 12120 4485 1 1 5549 1 1 4609 5156 2806 2170 1368 1 1 1 200488 5784 4174 5067 5888 1 9627 12580 99.0681 *99.0681* 99.0681@2.0887733 1 14283 1 1 2430 2883 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1024 1 1 1 1 1 1 1 1 1 1 4216 6719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21013 18811 2588 1 1 1 1 1 4443 5963 1 1 1 1 1 1 99.0681 *99.0682* C5 H9 N O + 1.4225508 4456 5507 2205 1 5686 7092 4563 1066 1 3323 5123 4600 5423 1 1665 4490 6284 4857 1 1689 1 6060 1853 2039 6224 5205 5774 1 2975 5916 1468 1 1926 1 1 4495 1 1 3315 3569 1932 1 1 5557 4566 3798 1 1 1 3767 5364 2907 3541 1 3601 4726 1 3977 5096 4641 4009 2819 4842 5398 3603 1 2140 5944 2880 2929 1 1 1 1 1 4247 1 4187 5833 4773 2590 3237 4434 1 1067 1 5053 1 1 4698 99.0682 *99.0682* C5 H9 N O + 1.7506267 3417932 3470990 216157 215734 1065660 1072421 1119254 1104791 347397 356944 739826 741586 147810 141040 131081 139114 252757 251784 94261 91517 493787 502054 171518 163169 207542 216696 282757 287764 1695402 1706915 68796 61527 258778 258337 245195 239943 538983 547759 156442 162536 154897 150806 285463 284579 156180 156518 560844 547476 208431 211232 131963 111630 97065 93865 142327 149032 129236 125774 2353619 2325790 202502 213646 109223 107753 213693 227969 397488 406781 564500 573135 78087 42347 313479 299655 5399310 5484698 566867 551640 150935 154293 192958 185875 1528890 1741193 157913 165664 266111 288332 267392 276527 99.0682 *99.0682* 99.0682@1.4570364 1 1 1 1 1 1 1 2147 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 2450 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 2375 2050 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 99.0682 *99.0682* 99.0682@1.9415443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36657 1 1 1 1 1 1 1 1 1 1 1648 1432 1 1 1 1 1 1 99.0682 *99.0683* 99.0683@3.633775 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1932 1724 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 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1 1026 1829 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 99.0683 *99.0683* C5 H9 N O + 4.426166 4441 4377 24136 26092 26434 25151 87664 88456 12954 14374 59629 60569 25868 24394 24313 24226 15942 17096 27660 27699 9991 10115 5044 5353 29397 29555 12285 11139 1 1 28802 25213 32052 32084 48991 49697 9486 11005 5184 4536 55685 50113 40294 39394 13365 13680 67609 70657 11863 12568 14386 13660 24967 24885 7202 8255 61472 63400 16909 15534 9439 9449 8773 9590 22935 21502 16865 14884 15139 16203 1038 45596 36729 35017 13495 13336 5051 5311 10655 10880 10566 11427 10532 8236 12380 11102 11003 12060 10884 10611 99.0683 *99.0684* C5 H9 N O + 2.8720741 1 10498 10672 9617 19920 21000 1 8841 1 4982 6509 12414 4541 1 1 1 7403 16534 3217 9578 25145 24458 7835 10237 3537 8275 16744 18076 8792 1 12537 10378 13155 13489 6395 9855 9065 12959 13097 7451 10626 13646 15285 15246 12029 11533 3734 9078 8887 23561 7318 7486 1 8927 9826 9993 13294 13760 1 11419 6583 7512 12294 1 5220 12752 17532 17090 1 1 1 1 1 10339 1 1 1 2811 1 1 1 1 1 1 1 1 6166 7216 14077 11195 99.0684 *99.0688* 99.0688@4.4832354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6073 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 43420 1 1 1 1 1 1 1 1 1 1147 1 1 1 1 1 1 1 1 1 99.0688 *99.0689* 99.0689@1.1200191 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1279 2117 1 1 1 1 1 1 1 1 1346 1 1 1 2935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 99.0689 *99.1024* 99.1024@2.8124433 2858 2689 1 1 2432 2673 1 1 2609 1 1 1 1353 1 1 1293 1 1 1 1 2628 2381 2726 1 1 1995 1 1 1 1 1 1 1997 2692 1870 3330 1 1 1 1 3472 1647 1 1 3820 1 1 1 1843 1 1 1 1 1 1 1 1 1 2202 1 1 1 2770 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1024 *99.1035* 99.1035@2.7941256 1 1 1 1 1 1 1 1 1166 3251 1 1 2094 1 3757 1 1 1 1 1 1 1 1 2750 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 1173 1 1 1 4902 2936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1035 *99.1038* 99.1038@4.4021764 1 1 6702 8723 7927 1 3244 1 1 1622 1 1 1 1 3553 1 1 1540 1 1 1 1 2008 1 2398 1 5999 1 1 1 1 4766 1 1 8508 1 1 1 4442 1 1 1 1 1 1 1 16823 16958 1 5524 5788 1 1 4151 1 1 1 1 1 1 1 1 1 1 4210 8522 6824 1 6395 3119 6394 1 1 12394 1 1 1 1 1 1 1 1 1 1 5525 1 1 1 1 1 99.1038 *99.1039* 99.1039@6.939712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 99.1039 *99.1041* cyclohexylammonium 2777 2320 1 5047 1334 2456 4983 5002 1254 1979 4265 3233 1048 5507 1184 3667 5472 5646 1202 2426 1215 1624 1843 2545 5357 3269 1537 1 6591 6861 1574 2404 1879 1671 1239 3875 7072 7495 1 3677 2461 1 5370 5114 1178 1392 5134 3076 2564 1350 1 1 1142 2002 2654 3976 1664 1 3050 2143 1113 1 2115 1906 1754 1 2598 1713 1838 1209 1 1 1089 1412 1 2948 1 1 2245 1976 3175 1 2434 1 1 2254 2782 1 1547 1505 99.1041 *99.1041* 99.1041@4.401777 1 1 6065 1 3586 1 1 1 1 1 1 1 1 5511 1 3007 1 1 1 1 1 3987 1 1 1 1 1 1 1 1 1 7783 1 1 8416 1 1 1 1920 1 1 6078 1 8023 1 1 3848 1 1 2649 3085 1 1 1 1 1 1 1 1 1 2031 1 3165 1 2299 3680 1 1 1 1 13823 9606 8471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1041 *99.1043* 99.1043@5.153069 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1823 3569 1039 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 4212 1 1 4289 1 1 1 1 1 1 1 1 4463 1 1 1 1 1 1 2672 2025 1 3088 1 1 1 1 1340 1 1 2614 1 1 1 1 1 1 1 4234 1 2237 1 1 1 99.1043 *99.1043* 99.1043@5.043203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 99.1043 *99.1044* 99.1044@6.126939 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1742 1300 1034 1330 1 1 1 1 1 99.1044 *99.1046* cyclohexylammonium + 4.575918 9190 8414 3146 9279 2166 1 1 9520 7760 8689 4390 7163 11554 4220 3861 5579 1 2841 10822 1 5829 5551 10080 7992 12824 5559 9411 9218 1 1 12324 18350 4943 3833 1883 10892 1 7363 7374 7353 4551 2970 10945 3470 1 11887 7615 1 1 7053 7019 1 14508 1 28370 33032 17755 1 20027 13379 5414 12426 9052 16976 7597 5147 21196 21618 4645 11973 3312 3352 6168 13316 14252 1 26126 27959 1 9976 1 15767 1 25179 2712 1 18284 18100 1 13249 99.1046 *99.1046* cyclohexylammonium + 4.9548774 30637 21047 29378 30070 37324 37407 15961 19082 29788 29921 27039 28580 19818 21325 31579 33096 9571 8701 17020 15608 23277 21878 13217 12711 18435 20357 28110 26897 24074 24231 14523 15009 20419 17961 13562 13190 16802 16734 19886 18904 14741 13856 27190 25188 15915 16268 8209 9811 1 5440 36253 33854 37885 37680 78426 78885 22437 20989 37890 38453 32623 35353 34247 34758 48945 47579 44654 43285 29377 29594 29943 33450 26350 24948 30146 34673 30967 33624 39034 37320 31026 31677 26704 1750 43682 41113 61150 61356 27320 27094 99.1046 *99.1046* cyclohexylammonium + 4.5735426 1 2290 22599 24256 11154 4883 6710 7615 1 1 1 4228 3010 11326 9144 7595 1 10330 13946 1 6909 5789 1 1 6193 2589 1 1 1 1 6034 5182 7160 6767 3062 8211 1 4994 8093 6219 7593 8022 8114 8826 1 1 12889 1 1 7688 23038 1 1 1 1 1 12442 13730 6206 1 17921 1 7668 1 13274 18682 8821 1 1476 1 34373 35765 16120 14920 1 1 6782 1 1 1 1 3490 1 1 20104 1 1 2663 1 1 99.1046 *99.1046* 99.1046@5.40173 1100 1 1247 1 1280 1 1 1 1 1359 2425 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 1331 1 1 3003 1 1 1536 1 1 1 1 1 1 1016 1964 1 1 1 1 1422 1 1 2025 1275 1 1374 1 1145 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1429 1655 1 1 99.1046 *99.1046* 99.1046@4.5663753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4328 4120 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 99.1046 *99.1048* 99.1048@4.3098106 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1476 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 1 99.1048 *100.0162* 100.0162@2.4326103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3693 1 100.0162 *100.0165* Succinic anhydride 12310 13943 14929 14281 21398 19029 20500 21876 17226 15961 14622 4720 3564 11768 9622 6451 15562 15102 5418 2522 17492 3553 11890 11206 19384 19094 7464 11432 5970 5362 17292 8392 2406 9462 5770 16337 6120 12211 12020 8748 13597 12189 13548 6587 6151 9177 17608 15982 9230 2967 11084 4077 7723 11417 5873 5949 9630 4764 9145 10374 20834 7443 4225 7859 17490 18709 9284 14314 13017 10000 20135 5917 22621 20481 16837 8995 20361 11851 26987 25445 15464 16037 18250 9143 16641 5029 18799 9101 5206 1 100.0165 *100.0166* 100.0166@2.3784482 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2173 2455 1 3441 1 1 1 1 9868 4778 4545 6619 1 3490 1 1 1 1 1 1 1 2717 1 1249 1 7147 2151 1 1 1 1 1902 1 2135 3383 1 6807 7759 1 7224 1 1 1 1 2229 1 1 1 1 1 1 1 1 1 1 1 1 8153 1 7366 1 1 1 1 1 1905 1 1 1 3053 4883 1 100.0166 *100.0168* 100.0168@2.4081252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5728 5289 1 100.0168 *100.0252* 100.0252@2.7996821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4367 4130 1 1 1 1 1 1 1 1 1 1 100.0252 *100.0322* 100.0322@2.0718865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3433 1 1 1 1 1 1 1 1 1 1 1 100.0322 *100.0342* 100.0342@1.6770775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7363 9350 1 1 1 1 1 1 1 1 1 1 100.0342 *100.0464* 100.0464@1.4955696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 3265 1 1 1 1 1 1 1 1 1 2920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0464 *100.0473* 100.0473@1.2390773 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0473 *100.0474* 100.0474@2.225882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1208 1 1 1 1 1 1 1 1 1 1 100.0474 *100.0515* 100.0515@6.69468 1 1 1 1 1 1 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 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 100.0515 *100.0521* Glutaral (Glutaraldehyde) + 2.2141192 1 1530 1 1 1 1 1 2243 1 2136 1519 1 1 1 1 1 1879 2708 1706 1843 1407 1612 2373 2170 1032 1522 1 1624 1 1851 2357 1696 1640 1761 1279 1 3297 2996 2467 1979 2836 2121 2123 1649 2234 1688 2172 1365 1 1 2186 2491 1715 2504 1 1464 1 1 3039 1535 3081 2677 2645 2978 1117 1 1494 1 1 1674 1 3035 1 1640 2887 1 2734 2672 1 1 2850 2419 2238 2835 3012 3952 2664 1901 2916 2932 C12518 100.0521 *100.0522* 100.0522@1.0958191 1 1153 1 1 1 1 1 1 1007 1 1 1 1014 1 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 100.0522 *100.0523* Glutaral (Glutaraldehyde) 5866 5982 5925 6560 8878 7048 8764 12728 7539 7066 4714 5867 10145 9418 8790 8973 6477 5713 8723 8051 8300 7098 6889 7166 10994 10092 8794 9460 8835 7129 4036 7558 7888 9573 6095 5794 8365 8678 6087 6477 4030 9239 5772 4885 4284 4376 8122 4038 8824 5536 4787 4858 4794 5789 7311 4060 6684 7705 5174 8227 7889 7299 3848 5124 4091 8893 4569 4056 5268 4024 3778 3900 4646 4249 3925 4876 3998 3843 14937 18142 4676 3823 4712 3450 4808 7040 4949 4316 4798 3442 C12518 100.0523 *100.0526* 100.0526@1.3927921 1629 1 1 1 1 2834 2004 2570 1 1606 1 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 1 1 1 1 1 1 1 3908 1 1 1 1 1 1 1 1 2513 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 1 2476 2523 1 3241 1 1 1447 1 1 1264 1 2170 1 1 1 1 1 1807 1 1 3745 1 1 1 100.0526 *100.0527* Glutaral (Glutaraldehyde) + 1.3310467 5943 6166 1 1 2328 3134 2223 2292 1918 1545 2099 2020 1 1504 1 1830 1449 1 1928 3142 1653 1 1 1 1 2410 6391 3679 2277 2297 1 2048 2303 10029 2707 2690 5090 1601 2743 3151 2017 1 1725 1 1147 2152 2317 1296 1480 2583 3867 1 1 1 1 1 1611 1941 4186 4284 3846 3512 1273 1498 1485 1999 1851 5806 3695 1193 1 1327 1501 1975 13979 14012 1506 1774 2651 7375 7493 9034 3009 3021 1655 1 3764 4738 7095 1 C12518 100.0527 *100.0527* Glutaral (Glutaraldehyde) + 1.4975418 1311 7134 1322 2610 4033 3654 4125 4100 2218 1901 1 1578 2212 2139 1848 1891 1463 1 2232 1 1565 1 3768 3670 2635 2568 2603 4883 1332 2581 2385 3192 2278 2135 2707 3098 3277 6183 2988 2876 1 1 3764 3368 3325 3921 2969 1776 2776 2571 1 1 2488 2407 3936 4254 2143 2070 3205 2548 3821 3587 2715 1910 3637 1 2311 3858 2030 2021 3471 3121 3111 3185 4986 1637 3542 3157 3886 3297 2705 2688 3186 3112 3156 3215 1 4642 3450 3162 C12518 100.0527 *100.0543* 100.0543@2.2040873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1109 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 1 1 1 100.0543 *100.0604* 100.0604@1.7771623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0604 *100.0636* 100.0636@6.8666053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 1 1 1 2653 1 1057 1 1 1 100.0636 *100.0645* 100.0645@1.736115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 100.0645 *100.0652* 100.0652@1.82815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1826 1 1 1 1 1 1 1 4729 3248 1 1 1 1 1218 1 1 1 1 1 100.0652 *100.0694* 100.0694@1.8128077 1 1 1 1 1 1 1 1 1 1 1 1 1 3734 2237 1 1 1 1 1 1 1 1 3648 1 1 1 1 1 1 1 2945 1 1 2797 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 2720 2333 1 1 1 1 1 4829 1 1 4848 1 1 1 1543 1 1 1 2492 1 2044 1 1 1 1 1 1 1 1881 1 1 1 1 1 3863 1 5638 1 1 1 100.0694 *100.071* 100.071@1.7515957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 5007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6711 2436 1 1 1 1 1 4145 1 1 8701 1 1 1 1 1 1 1 12902 1 1 1 1 1 1 1 1 1 1 1 1 6459 1 1 1 1 10894 1 1 1 100.071 *100.0833* 100.0833@1.1647795 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 2559 1 1 1 1 1 1 1 1 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 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0833 *100.0849* 100.0849@1.0570271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.0849 *100.1008* 100.1008@4.3474946 1 1 1 1 1788 1 1 1613 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1 1 1 1151 1875 1 1 1 1 1817 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1447 1 1800 2756 1 1 1 1149 1 4389 1 1 100.1008 *100.1008* 100.1008@4.2774405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.1008 *100.1011* 100.1011@4.7884283 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100.1011 *100.1015* 100.1015@5.16915 1 1 1 1699 1 1488 1 1197 1 1 1 1 1 1 1 1 1605 1 1740 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 2669 1 2264 1 1 1 1 1 1 1 1 3324 2803 1 1 1 1 1 1 1 1 1 1 1 1 1629 2169 1 1 1 1 2576 1230 1692 1 1 1 1 1 1 1 1886 2138 1 1 1 1 1 1 1 1 1 1 100.1015 *101.0473* 101.0473@3.4936824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0473 *101.0473* 101.0473@2.4787376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0473 *101.0475* 1-Aminocyclopropane-1-carboxylic acid 2706 2770 3094 2439 2805 3515 2997 2588 3053 3050 2679 2933 4092 3543 2452 1 2531 2203 3234 3797 2767 2708 3718 3618 1 1883 2607 2155 2508 2814 3598 3418 3548 4404 2593 1695 4240 4217 3643 4383 2756 2781 2634 2663 3097 3233 3310 3071 3017 2324 2001 1 2528 2598 1269 2692 1 1 3176 3100 2562 2602 2463 2377 2407 1 2070 2162 2735 2649 3373 3548 1874 2159 2342 1841 2304 2441 2759 3412 2734 3357 2499 2241 2946 3157 2034 2188 3404 2915 HMDB01135 101.0475 *101.0477* 101.0477@3.4145675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3743 1248 1 1 1 1 1 2461 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 101.0477 *101.0479* 101.0479@3.3853621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 3066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0479 *101.048* 101.048@6.7498484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1570 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1681 1 1 1 2496 2637 1 1 101.048 *101.0485* 1-Aminocyclopropane-1-carboxylic acid + 3.3449767 1 1 2088 1 1 1 1 2274 1 1700 2273 1905 2714 1 3349 2847 1 1 3232 3049 1 1 1170 1 1 2865 1 2199 1908 1 1 1 1 1 1 2887 1857 3413 2812 1 1 1253 2624 2745 1327 1 3546 2881 1 1 1 1 1572 1518 2782 3331 1 2505 1936 4092 5028 1201 2588 2286 4796 1 1539 5307 1399 1 2862 1 1552 2945 2597 3456 1985 1 1 1862 1 1800 1 1 1 1295 1 1 1 1 HMDB01135 101.0485 *101.0485* 101.0485@1.4367576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 101.0485 *101.0489* 101.0489@1.3548541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 2180 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 101.0489 *101.0493* 101.0493@1.7032514 1 1 1 1 2550 5486 1 1802 1 1 1 1 2313 3119 2766 2317 1 1152 4777 3224 2707 1 1 1 1 1 1 3739 1 1 1467 1 2736 3467 1 1 1 1 1 1 1852 1 1 1206 1 1 1181 1 1 1917 1 2006 1131 2113 3832 1 1 1 1 1 1 1 1 2946 1813 3289 1858 3820 1 1 1 3272 1 1 1 1 1 1 1 1 2103 1203 1105 1251 1 1 1 1 1 1 101.0493 *101.0529* 101.0529@1.7286493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 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 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 101.0529 *101.0575* 101.0575@2.0035286 3877 1 1 5587 2764 4205 2169 1 4050 4181 6101 5739 1 1 3676 3639 1 2806 4268 4501 1 4801 1 1996 5072 4508 5897 7043 4492 1 4839 1 4068 3689 4530 1237 4249 1766 5215 3712 3901 3610 4382 1 4789 3984 2985 6251 1 4435 4329 4977 3458 1 5405 5049 1 1 2339 4205 4343 5567 4750 5238 4601 5363 8821 3511 5533 5514 4941 2710 5097 1 4727 1 5579 3275 6079 7021 5288 2848 5283 1 3773 5281 6563 6152 1 4522 101.0575 *101.058* 101.058@2.0073767 1 1 2829 1 1 1683 2553 4072 1 1 1 1 4548 3890 1 1 1330 1 1 1 4285 1 3392 1 1 1 1 1 1 4907 1 4915 1 1 1 3117 1 2358 1 1 1 1 1 1 1 1 2612 1 5139 1 1 1 1 4110 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5073 1 2190 1 1 1 2230 1 4926 1 1 1 1 3960 1 101.058 *101.0586* 101.0586@2.0255387 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0586 *101.0658* 101.0658@1.7784891 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1077 1 1 1 1 1 1 101.0658 *101.0706* 101.0706@1.7996843 1 4191 1 1 1935 1677 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 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7537 3363 1 1 1 1 1 1 101.0706 *101.0767* 101.0767@1.208553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0767 *101.0823* 101.0823@5.86859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.0823 *101.0841* 101.0841@4.97853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 2170 4357 3683 1 1718 2294 1 1 1 1 1 1 1 1 1297 1 1506 1 1731 1 1 1 1 1 1 1 1 1 1 101.0841 *101.0841* 101.0841@6.9544187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 101.0841 *101.0964* 101.0964@4.8150864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23314 22359 1 1 1 1 1 1 1 1 1 1 101.0964 *101.1196* 101.1196@3.9192674 2690 1601 1 1 1 1 5322 1 1 1392 1609 1 1492 1 1 1 1 1 1470 1 1 1 1148 1 1 1020 1 1 1 1 1 2618 1014 1 1057 1 1 1042 4398 1 2986 1 1 1344 1 1 1473 1 1 1410 1 1967 1 1 1 1 1370 1 1252 1 1 1 1 1 1 2700 1 1 1 1 1 1 2073 1 1 1 1 1 1 1 1 1 1110 1 1 2186 1077 1 1550 2671 101.1196 *101.1197* 101.1197@13.582926 1 1392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.1197 *101.12* 101.12@4.782725 1452 1 1 1 1 1537 1 1 1 1 1 1 1 1 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 4336 1 1 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3367 1 1 1 1 1 1 1 1 1 1 1 101.12 *101.12* 101.12@4.2027745 2340 2086 1 1 1696 1 1 1 1 1 2585 1 1577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 1 1136 1465 2085 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1292 1 2132 1 1 1 1 1 1 1621 1 1 1 1 1 1 1 3667 1 1 1 1 1 1 1 1 3096 1 1 2388 1 1 1 1 101.12 *101.1201* 101.1201@4.6200604 1798 3498 1872 2730 5411 4132 1 1 1 1678 1177 1 2176 1 4213 1 1 1 2207 1 1 1 1 1443 1 1639 1809 1 1 1 1 1 1 1 3902 4221 2820 1 1079 1 2951 4036 2460 1541 1334 1 1596 1 1 1994 1 2217 2131 5928 1 1 5183 4161 5098 5564 1 1 5908 1 1 1576 3363 2781 2627 1 1306 2525 1 2027 1897 1 1 3223 4203 1 1 1 1900 3459 1 1206 1 1 1 3334 101.1201 *101.1201* 101.1201@4.70641 1329 1139 1 1640 3952 3850 1 1 2198 1 1271 1 3051 1 2854 1 1 2061 3159 1 1 1 1 2467 1 1946 1 1 1 1 1 1 1 1 1822 1 4385 1 4245 1 1 1 2186 1162 1218 1 1519 1 1191 1434 2659 3523 1 1 1 1 1 1 4981 1 1 1 1 1 1 5752 1 1012 1161 1 2440 1415 1 1553 1 3002 1 1 1338 1 2655 1 1 3800 1 3017 1 1 1 1 101.1201 *101.1201* 101.1201@4.492278 2691 2784 1 1 4508 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 1 2095 1 2707 1 1559 1 1 1 1 1 1 1 3005 1 1 1795 1 1 1 1 1 1 1 1 4997 1 1 1 1 1 1 3659 1 5109 1670 1 1 1 1 2120 1 1 1 1 2498 1 1 1 1 2358 1 1 1 1 1 1 101.1201 *101.1201* 101.1201@4.10112 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.1201 *101.1201* 101.1201@4.60605 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 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 1 101.1201 *101.1202* 101.1202@4.532759 1883 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101.1202 *101.1203* 101.1203@3.939254 1 1 1 1 1 1 1 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 1041 1 1471 1 1 1 1 1 1504 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 1 1 1 1 1 1 1 101.1203 *102.0317* 102.0317@2.648227 1754 1 2150 2019 2815 1 1 1 2131 1349 2520 1 2332 1 1068 1946 1 1 1 1 1 1650 1236 1 1 1 1 1 1 1 1 1 1 1 1 1402 1 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 2123 2147 1160 1 1968 1693 1 1 1 1 1 1 1 1452 1760 1 2591 1 1 1 1 1 1 1 1788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0317 *102.032* 102.032@2.4082336 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.032 *102.0322* 102.0322@2.6674936 1 1 1 1 1965 1 1 1 1034 1 2016 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1 1 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 1215 1 1 1 1 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 102.0322 *102.0324* 102.0324@7.547055 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1 1132 1 1712 2128 1 1 1 1 1 1 1 1653 1 1 1742 1002 1 1 1 1 1 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 1654 1 1 1 1164 2658 2323 1 1 1 1 2258 2041 3111 2742 1 1 1755 1 1 1 3387 3394 1 1 102.0324 *102.0427* 102.0427@2.9856954 1 1 1445 1 1 1 1 1 1477 1 1 1261 1 1 1 1 1 1 1 1 1 1096 1 1279 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1724 1 1 1 1 3948 2491 1 1 1 1 1 1 2518 1 1 1 2292 1 1 1 1977 1119 1 1 1 1 1 1 11083 12089 1 1 1 1 11455 1 1 1 1 9264 1210 1 102.0427 *102.043* 102.043@2.933024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 1 102.043 *102.0445* 102.0445@3.0010254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 102.0445 *102.047* 102.047@5.642779 1 1 12791 16836 1 1 14532 1 1 1 18590 16733 1 1 13016 1 1 1 1 9177 1 1 1 1 1 1 1 1 10879 12327 1 1 14123 1 1 1 1 1 1 1 14034 1 1 1 1 1 1 12067 1 1 1 1 1 15828 1 1 13842 1 1 1 16890 16600 1 1 26221 24057 1 1 1 1 1 1 18583 1 16364 1 12732 16965 1 1 1 1 20022 20022 1 1 32288 31535 1 1 102.047 *103.0534* 103.0534@5.8391166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2816 1 1 1 103.0534 *103.0545* 103.0545@5.8487663 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 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1146 1 1 1 1 2351 1 1 103.0545 *103.057* 103.057@1.0802947 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1727 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 1 2059 1 1 1 1 1 1 1 1 1 1592 1265 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.057 *103.0602* 103.0602@2.9839969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1081 1 1 1 1 1 1 1 1 103.0602 *103.0605* 103.0605@5.8444853 1 1 1 1559 1606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1377 1 1 1 1668 1 1122 1515 1 1 1356 1 1 1 1 1 1 1602 1181 1 1193 1 1 1 1 1 1 1 1365 1 1012 1 1 1 1 1 1855 1 1 1300 1 1 1 1 1238 1 1 1316 1 1 1 1 1 1 1 1776 1382 1 1 1253 1 1 1 1528 1 103.0605 *103.0625* 103.0625@1.4532363 1 1 1 1 1008 1 1 1 1428 1 1 1 1607 2290 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 1884 1 1 1 1 1109 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1501 1 1 2580 1 1 1 1 1 1 1 1 1 1 1 103.0625 *103.0625* 103.0625@1.867568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 2176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 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 1718 1 1 1 103.0625 *103.0626* 2-Aminoisobutyric acid 5049 5497 5069 1 1 2755 6043 6067 5829 5806 6022 5873 4738 5475 6005 6136 5634 6308 7059 5809 1384 4338 5766 5445 3371 1 1 4163 4652 4224 5199 4302 2799 3357 5214 5266 6021 6356 5076 5382 5678 6989 4303 4017 3610 4327 4326 4639 2449 4931 4858 3683 5800 4940 3979 4006 1 2085 6871 5753 5667 6885 5646 6729 2922 3490 4206 5597 4407 2697 4911 5440 5614 4874 3453 3336 5610 4774 5874 7276 4881 6078 5815 5143 6258 6273 4656 4760 3850 5909 HMDB01906 C03665 103.0626 *103.0628* 103.0628@2.8517866 1 1 1 1441 2747 1 3330 1 2662 1 1 1 1 1419 1 1779 1607 3065 1675 1476 1121 1 1 1 2148 1 1 1038 1 1560 1 1477 1 2148 1829 1831 1 1474 1784 1 1 1 1644 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 1885 2584 1 1 2021 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0628 *103.0628* 103.0628@6.8778815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 103.0628 *103.0629* gamma-Aminobutryic acid 4280 4333 6849 6465 5290 6541 11023 10395 4798 5387 6814 6701 5362 5337 5717 5680 1 7024 6357 6691 8844 7984 7251 6276 5030 6140 8083 8839 5985 6100 8842 7936 7303 8904 6207 6078 7514 8447 13711 12700 13401 13853 18825 18434 4895 3620 8248 8226 11502 11560 6676 6140 7253 6606 6314 5953 4228 5512 5526 5534 7045 8501 5876 7696 7462 6731 11406 11200 9796 9706 7545 8491 7615 7231 20985 21907 6409 6598 5077 4206 7598 8253 6955 6549 7883 7574 4998 6856 7927 7666 103.0629 *103.0632* 103.0632@4.135566 1599 1 1570 1249 2592 1338 1 1 1082 1 1 1 1403 1 1 2209 1 1255 1 1 2517 1 2964 2107 1 1 1 1 1284 1 1 1 1 1344 1 1 1 1318 1 1 1 1024 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1705 1 2015 1749 1060 1 1 1 1 1 1 1 1159 2102 1 2377 1 3722 1 1 1 1 1 1 1 1 1 1 103.0632 *103.0633* 103.0633@3.892027 1369 1 1084 2674 2208 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 1360 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 1680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0633 *103.0634* 103.0634@6.4747715 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 2755 1476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1486 1 1281 1 1 1 1 1 1 1 1698 1 1 1 1 1931 1 1 1 1056 1 1888 1 1 1067 2181 2340 1 1 103.0634 *103.0785* 103.0785@5.2146573 2790 2253 1350 1 1 1436 1 2567 1 1 2803 2461 1 1 1 1 1 2078 1 1 2512 2155 1 1 1 1 1 2585 1 1 1 1546 1831 1 2389 1 1 1 2786 3302 2448 2617 1 1 1 1 1 1 1 1 1171 1168 2667 1 1 2923 1 1 1 1 3191 3158 3312 3473 2706 1 3087 3577 1 2544 3159 2428 1 1 1 3488 4016 3148 3269 3726 4209 1 3736 3519 4160 3538 4147 4026 1 2237 103.0785 *103.0832* 103.0832@5.214324 1 1 1 1730 1 1 1 1 1 1 1 1 1304 1 1817 2218 1556 1 1806 2052 1 1 1306 1 1398 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1119 1 1 1 2267 1676 1 1763 1 1 1 1262 1536 1 1 1 1563 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0832 *103.0845* 103.0845@5.2509274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0845 *103.0884* 103.0884@5.2276506 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1096 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 1 103.0884 *103.0917* 103.0917@5.2177377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1325 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0917 *103.0977* 103.0977@5.3561625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.0977 *103.0985* 103.0985@5.2194443 1 1 1 1 1490 1 1733 2735 1 1 1711 1 1914 1 2548 1 1177 3732 1299 2283 1618 1 1 1 1986 1396 1141 1912 2604 1389 1 1 1 1 1 1 1 1 1009 2364 1 1900 1 1 1 1219 1 1 1077 1 1 1 2129 1 1 1 1 1 1 1 1 1 1 1 1500 1 1720 1 1 1 1 1491 3906 1 2106 2983 1866 1745 1 1019 1 1601 1 1912 1877 1 1 1741 1 1 103.0985 *103.0992* 103.0992@5.200456 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 4845 1 1 1 1 1 1 1 1 1 1 1 1896 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1912 1 1 1 1 1 1 1166 1 1 1 1 1 1 103.0992 *103.0994* 103.0994@5.932948 1 1 1 1743 1 1 5542 1 1 4473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 1716 4786 1 1990 5133 1 1 22653 1 1 1 1255 6397 32803 1 1 1 1 1 1 1 2183 14526 1 1 1 3182 1 1 4105 1 1 1 2013 16782 11892 1 21305 1 5144 1 1 6308 1 1 1 3726 1 1 1 110527 1 1 12863 1 1 1 4501 3642 1 1 17615 3830 1 1 103.0994 *103.1* 103.1@5.7498155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 1 1 1 1 1 1 1 1 210214 1 1 1 1 1 1 1 1 1 1 1 128035 1 1 1 1 1 1 1 1 1 1 1 19760 1 1 1 1 1 1 200682 1 1 1 10781 1 1 1 148246 1 1 1 103.1 *103.1002* 2-Amino-3-methyl-1-butanol 1180479 1187061 1479765 1483960 861912 874889 1178979 1170188 1342394 1330319 1630844 1668047 1310584 1312381 1172523 1185251 1787303 1807373 1370607 1386927 1215778 1212384 1182858 1190731 954547 957507 1585683 1572872 1004471 1009735 1816498 1802901 1166651 1167584 1129016 1120623 1431306 1428400 1709587 1757579 1456733 1500209 1293856 1283448 1377824 1380065 1539468 1338568 1299105 1302418 1070338 1078394 1108656 1109753 1305634 1308142 968264 974201 1091231 957858 1645468 1649519 2019692 2041237 1481597 1472945 1436284 1439093 1990925 2003712 1656032 1653677 1374591 1352836 1308471 1216694 1779346 1779730 2414470 2651974 1730085 1716860 1638347 1641822 1385601 1386236 1751013 1913378 1238859 1253155 103.1002 *103.9143* 103.9143@5.743024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9143 *103.9265* 103.9265@5.7560816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9265 *103.9508* 103.9508@5.7542253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 103.9508 *103.9765* 103.9765@5.7460365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 103.9765 *103.9855* 103.9855@5.488689 12010 12312 12007 12381 11798 12228 12212 13049 12000 12378 12271 12446 12623 12097 13036 12233 12121 12343 12237 11886 12663 12882 11994 12503 11715 12398 12221 12496 11806 11501 12375 11747 13523 11989 11808 11857 12137 12344 11983 13678 12804 13037 11255 12360 12460 12152 12401 12549 12932 13543 16550 17078 14659 14954 14272 14038 12574 13544 13042 12605 16517 16733 13615 13381 15507 16050 15331 15234 12392 12957 19245 19349 12425 13007 14659 14066 16751 17960 17621 17591 18981 18623 17273 17198 17292 17288 17202 16878 15234 15439 103.9855 *103.9962* 103.9962@5.757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 103.9962 *104.0196* 104.0196@5.754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 104.0196 *104.0274* 104.0274@3.0801544 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 2187 1 1 1 1 1 1 22823 24295 1 1 1 1 1 1 1486 1 1 1 104.0274 *104.0291* 104.0291@3.3255289 1 1313 1 1 1 1 1 1 1 1 2885 2000 1 1 1 1 1723 2053 3198 3818 1815 1980 1 1 1 1 2678 3013 2761 2417 1 1 1 1 1 1 1 1 1 1 5913 5089 1 1 1 1 3293 3249 1 1 1 1 1 1 1 1 1 1 1 1 6943 8519 1 1 2205 2728 7788 7847 1589 1390 1 1 1 1 1 1 1 1290 1 1507 5593 5026 1 1 1 1 1689 3609 1 1 104.0291 *104.0299* 104.0299@1.4681778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 104.0299 *104.0306* 104.0306@1.0647129 1 1 1 2369 1 3931 1 1 1 1 1127 1 1 1864 1 1 1 2563 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 3259 3875 1 1 1 1 1 1 1 1 1 4104 1 1 7511 6345 1 1 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 1 104.0306 *104.0307* 104.0307@1.4172592 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 1182 2064 1 1 1 1 1 1 1 1 1 1 4288 2888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 2690 1 1 1 1 1 1 1 1 1 1 2278 3794 1 1 1 1 1 1 1 1 104.0307 *104.031* 104.031@1.9227694 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 1369 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5299 7457 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4312 4232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.031 *104.031* 104.031@1.846664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 104.031 *104.0324* 104.0324@1.1150167 7458 7400 3173 6376 6429 3733 4419 7331 3399 7421 5847 2749 8270 7224 7967 4799 2446 6040 3693 5622 8741 8078 7452 7525 7092 7093 7871 7737 7403 3710 6291 7062 7916 4298 3259 6570 6583 6790 6567 6434 2767 7012 7447 6989 6267 6959 4921 5095 4833 6744 7411 7427 7253 7025 3896 7692 7454 1377 7171 7553 3890 3440 5685 6486 3847 6321 3089 5829 3013 6012 2661 2293 6207 6500 3867 5732 2737 2598 4604 8070 6579 5040 6896 7340 1 5410 3466 6782 3037 6162 104.0324 *104.0346* 104.0346@1.932263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 104.0346 *104.0353* 104.0353@1.094453 1 1 1 1 1 1 1 1 4207 1 1 4466 1 1 1 3694 2570 1 2309 1 1 1 1 1 1 1 1 1 1 2737 1 1 1 1 1 1 1 1 1 1 4042 1 1 1 1 1 1 1 1511 1 1 1 1 1 3972 1 1 2135 1 1 2480 2491 1 1 1 1 3175 1 3279 1 2024 1 1 1 2680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0353 *104.0385* 104.0385@1.2053065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 104.0385 *104.0386* 104.0386@1.9414841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1732 1 1 1062 1 1 1 1 1 1 1 1 1 1 1485 1473 1 1 1561 2115 1 2207 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 1605 1 1 1 1 1 1 1 104.0386 *104.0421* 104.0421@1.9311122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 104.0421 *104.0458* 104.0458@1.3120565 1 1 1 1 1 1 1 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 1 1 1 1 2745 2106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.0458 *104.058* 104.058@2.3367019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104.058 *104.1029* 104.1029@5.836065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1829 1 1 1 1 1 1 1 104.1029 *105.058* 105.058@1.2065399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42768 47156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.058 *105.0772* 105.0772@1.7613143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0772 *105.0775* 105.0775@1.2107804 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1315 1170 1 1 1 1 1 1 1 1 1 1 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 5052 1 1 1 1 1 1 1 1 1 1 1 1275 1 1894 1019 1 1 1 1 1 105.0775 *105.078* 105.078@3.1219912 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.078 *105.0784* 105.0784@6.3023095 1 1 1 1 1 3492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 1 1 1833 1 1883 1 1 1 1 1 1 1 1773 1 1 1089 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 2934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0784 *105.0786* 105.0786@6.586294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0786 *105.0788* Diethanolamine + 5.564596 26751 12835 18436 12965 12812 4746 10328 14979 15659 37370 14851 18304 13482 19133 13254 13487 13301 14378 16646 28916 1 31035 13421 13027 15025 13599 21943 13079 13668 14414 1 13179 5876 15206 14310 11987 15049 10179 16160 13219 14832 13290 18226 15650 14770 15256 13287 16949 16813 14408 12519 24259 13548 16323 18795 7286 15135 12089 5113 7059 13879 22071 12683 14080 31745 12821 19336 13401 15534 1 13888 4516 14272 14745 12658 16244 13566 11392 1 14743 13136 13205 59230 14409 12425 11813 12688 13367 22609 2678 HMDB04437 C06772 105.0788 *105.0788* 3-Methylamino-1,2-propandiol 9995 10378 14926 13188 20371 19075 13027 12205 9905 12965 18617 18696 13629 12694 26732 28007 12442 13076 18772 18298 13495 10562 1 1 9863 11736 16206 18444 8843 1 10607 15131 14548 10861 7442 1 7770 1 8111 9724 12855 7632 12760 9868 1 9877 9479 15056 9974 7857 1 1 8318 7421 1 1 4068 8822 6763 1 16272 17488 9360 15775 23908 19975 20386 22383 17587 14439 12459 1 10541 10814 13972 14417 11334 12845 14650 14507 16921 15408 10729 1 15291 17560 19091 17764 1 11316 105.0788 *105.0788* 105.0788@5.168094 7808 1 1 1 1 1 10059 1 1 1 1 1 1 7052 1 1 8045 1 1 1 1 4608 1 1 1 1 1 1 1 1 3788 1 1 1 2687 1 5144 1 4749 1 1 1 1 1 4161 1 1 4904 1 1 3363 8648 1 1 4290 1 1 1 8069 1 1 1 6894 1 10598 1 10016 1 10209 1 1 5798 1 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 4414 1 105.0788 *105.0788* 105.0788@5.330901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20450 15673 1 1 1 1 1 1 1 1 3769 1 1 1 1 1 1 1 1 1 1 19390 1 1 1 1 1 1 1 1 1 30621 1 1 21277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5186 1 105.0788 *105.0788* 105.0788@5.743257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3965 1 1 1 1 1 1 1 1 1 1 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 3047 1 1 12208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0788 *105.0788* 105.0788@6.736586 1 1 1 1 4670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0788 *105.0789* Diethanolamine + 5.846524 37168 36181 30213 29553 38674 36278 37099 36459 40006 34191 36583 34484 38607 40871 38331 36574 35464 41570 37164 35999 37358 40291 31711 37670 36831 35361 39177 33814 33489 31623 33180 35362 33270 35886 34923 33530 39344 38075 35057 36115 38652 31062 38509 34994 39057 41429 37877 30621 42720 40697 37147 43154 38115 32894 40251 38302 44037 39504 32247 38852 40952 41981 38521 42574 36900 40042 45167 39440 37218 39807 38769 44017 44289 46015 43513 41689 49737 42305 42652 46678 44790 43388 47576 47647 42626 45556 45576 47719 39140 43577 HMDB04437 C06772 105.0789 *105.0789* 105.0789@5.702554 14645 1 1 12698 3084 14156 1 1 1 14639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4384 1 1 1 1 1 1 13787 1 1823 1 2884 12549 11170 1 1 1 1 10222 12502 1 1 1 1 3162 1 1 1 1 11995 12492 1 1 14115 15905 1 13375 1 1 1 1 13845 1 16309 1 1 13609 1 1 1 1 1 1 1 1 1 1 13056 1 1 1 1 1 16261 1 105.0789 *105.0789* 105.0789@5.978388 1 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 1 1 1 1 1 1 1 1 1 1 1944 1 3304 1 1 1 1 1 1 1 1 1 1 1802 1 1 1 1 1 1 1 1 3060 1 1 1 1 1 1 1 1 1 3860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.0789 *105.079* 105.079@6.4781256 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.079 *105.0799* Diethanolamine + 5.6714797 4855 1 1 8400 11721 15667 21917 1 11198 12957 1 11101 10053 8546 1 1 1 1 22561 25847 1 15147 1 1 1 11837 13571 1 1 10568 1 1 17316 1 12402 12610 5028 8249 29864 31019 1 1 5856 18194 14987 10773 5176 14744 1 7252 8931 12077 1 8863 16388 16182 21411 1 10038 5083 15672 15381 1 1 13748 16644 16121 13420 17930 15135 1 10244 1 1 1 1 8466 1 14176 15284 25168 12595 16269 16516 14437 18691 15028 16291 13999 11133 HMDB04437 C06772 105.0799 *105.9423* 105.9423@5.6061783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105.9423 *105.9432* 105.9432@5.5451612 5427 6490 6095 6965 6003 6373 6748 5818 6702 7722 6917 6632 6787 7040 7160 7264 7132 7042 7048 6220 6790 6849 6390 7068 6029 6291 7916 7106 6273 6504 7154 6674 6471 7226 7477 7077 7393 7149 8016 7357 7753 8594 6747 7067 7005 6820 7324 7470 7366 7817 9093 9338 8765 7753 7803 8300 7437 8377 7516 7169 9537 8874 7593 6929 8418 9442 8337 7957 7676 6944 9283 8882 7749 7500 8339 8346 10470 10618 9948 11263 10786 10216 9508 10306 10801 10307 10488 9840 7911 8458 105.9432 *106.0427* 106.0427@4.4529486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0427 *106.0606* 106.0606@1.2723647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 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 1251 1 1 1 1 1 1 1 1 1 106.0606 *106.0625* 106.0625@1.853037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 106.0625 *106.0627* 106.0627@1.6316789 1 1 2914 1121 1 1 1 1078 1 1 1 1 1 1 1 1 1084 1 1 1137 1112 1 1 1 1 1 1 1 1478 1056 1 1826 1 1 1 1 1 1 1 1 1 1 1 2433 1 1 1792 2283 1 2256 1 2458 1 1 2147 1 1 1 1146 1 1 2153 2697 1486 1 1 1 2469 1 1 1 1 1 2692 1 1 1122 1 5836 5726 1 1 1 1 1495 1 1 3097 1 1 106.0627 *106.0628* 106.0628@1.787706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5035 6370 1 1 1 1 1 1 1 1 1 1 106.0628 *106.0634* C4 H10 O3 44740 41590 31011 29983 42310 44499 49380 48029 46835 47214 41565 37818 58521 61815 55971 51375 30634 26700 43098 46846 49524 49333 65950 59989 60749 59284 46559 46769 54213 53885 28943 30286 29589 29351 22158 23058 23521 22754 28643 30278 23918 23800 35400 35759 27150 27491 22416 20323 25262 26395 33300 31795 44227 48731 33875 31263 37311 40031 33104 28217 21620 23153 18240 17350 23915 21756 23370 22456 17777 17911 14544 14335 21502 20225 27816 30902 26851 26464 35779 36096 32722 32646 24162 23745 28708 28046 21755 21868 21117 23400 106.0634 *106.0639* 106.0639@1.1781216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3568 1 1 1 1 1 1 1 4667 5096 1 1 1 1 1 1 1 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4453 1 1 106.0639 *106.0645* 106.0645@1.2072452 1 1 1 4152 1 1 2088 5967 1 1050 1 1 1 1 1 1 1 1 7493 1 1 1 2072 1 1 15770 1 1 1 1 1 1 1452 1 1 3795 1 1 1 1 1 1 1 1445 2902 1 1 1 1 1 5386 7985 7897 1 1129 1280 1 1571 1 1 3684 1 1 1156 1001 4468 5675 6722 1 1644 4389 4161 1270 4687 7221 1 1 5755 1185 4881 1576 1 2586 5896 5851 6236 5936 1017 1 1 106.0645 *106.0711* 106.0711@1.1963292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5867 1 1023 1 1 1 1270 1 1 1 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 9701 3787 1 1 1 1 1 1 1 1 1 1 1 1 8650 1 1 1 1 1 1 1 106.0711 *106.0764* 106.0764@1.3641698 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 106.0764 *106.9587* 106.9587@0.90207875 1381 2005 1 1378 1 1 1 1203 1615 1707 1271 1 1258 1477 1368 1663 1138 1 2027 1812 1829 1865 1223 1297 1777 1802 1386 1697 1414 1916 1565 1531 1321 1402 1710 1 1429 1544 1325 1356 1497 1501 1784 1449 1393 1 1548 1550 1 1208 1 1 1 1166 1 1 1 1757 1292 1 2136 1752 1583 1650 1443 1680 1 1 1 1796 1819 1878 1722 1576 1674 1931 1329 1268 3478 3019 1 1569 1790 1881 1546 1699 2031 2297 1 1 106.9587 *107.0372* Nitrosobenzene 1 1 3029 3301 4915 4734 3594 3813 3707 3420 5784 6174 3004 2932 2646 1152 3235 3153 5414 5316 1 1580 2014 1408 2491 2361 8306 8328 2269 1831 1 1653 7723 7452 2229 3115 1 1 5538 4481 1 1805 3968 3059 1 3223 1488 1 5031 8193 5428 4187 5210 4681 3548 3148 7439 7542 1 1 3055 2187 6219 6413 6624 6514 7286 7768 2413 2514 5772 5752 2996 3515 4788 4412 1 1 2540 2786 6353 5883 4867 2204 5031 4781 3025 4036 2879 2569 107.0372 *107.0372* 107.0372@2.4239438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1302 1 1 1 1 1 1 107.0372 *107.0378* 107.0378@1.9248861 1 1 1 1 1 1 1 1 1 1 1 1421 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 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 1 107.0378 *107.0397* 107.0397@3.290745 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0397 *107.04* C3 H9 N O S 2661 2525 4722 4470 4813 4456 6480 6216 3353 3443 3571 3786 3413 3110 2827 3022 6236 6592 3366 2834 5468 5342 2709 2408 1042 3445 5120 5693 3104 3127 3576 3336 5214 4842 3402 3354 2663 2851 4917 4329 3733 3512 3834 3833 3425 3894 4127 4074 7063 6823 4345 3922 3866 3356 2395 2345 5209 5399 2467 2554 4445 4469 7240 7132 5636 5694 6860 7062 3952 4303 5105 4557 3351 3367 6723 7322 2889 2659 3415 3492 4463 4230 1 1500 3536 3068 5269 5225 5402 4691 107.04 *107.0401* 107.0401@2.851514 1 1 1 1 2143 1 1 1 1 1 1 1 1 1 1 1 2006 2134 1 1 1755 2056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 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 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.0401 *107.0404* 107.0404@2.4269588 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 1122 1 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 1278 1 1473 1 1 1 1 2351 1 107.0404 *107.044* 107.044@2.1978219 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107.044 *108.0203* 108.0203@2.6539025 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 4337 1 1 1 1 1 1 1 1 4222 1 1 1657 1 1 1 1 1 1 1 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 3225 1 1 1 1 1 1 1 1 3625 1 1 1 2406 1115 1 1 1 1 1 1 1 1 1 1 1 108.0203 *108.0211* Quinone + 2.749271 8526 1 4564 10589 1 4887 3109 1 1 1 1 9862 1 5721 7022 6062 6503 1 1 1 1 3773 1 1 10547 7986 6650 1 7646 4725 1 10089 3527 1 1 11406 8022 9808 15879 6094 1 11866 1 1 2416 1 5794 2153 1 4916 2054 2472 8568 9432 1 1 1 1 8936 11261 1 1 1 1 4527 6773 1 7423 1 1 3213 9987 1 5795 2596 9627 4307 8448 1639 1 1 1 1 1 12215 3453 11710 10883 5427 1 HMDB03364 C00472 108.0211 *108.0211* 108.0211@2.7297444 1 1 1 1 1 1538 1 1 1 1 1 1 1 5058 1 2288 3326 1 1 1 1 1 1 1 1 1150 1 1 1 3669 1 3428 1 1 1 1 1 1 1 4557 1 1 1 1 1 1 2491 1 1 4042 1 4221 1 1 1 1 1 1 1 1 1 1 1 1 4405 3918 1 1 1 1 2054 3483 1 1 1 1 4223 6491 3948 1 1 1 1 1 1 1 1 1 4084 1 108.0211 *108.0212* Quinone 7475 1 3704 3872 1 1378 2932 1 1 6100 16097 1 14280 3895 7238 3357 1520 7441 3982 15815 1 4504 4978 2994 2845 1115 6336 6227 2564 4985 1 1342 1 1 11435 2151 5563 4621 1115 3350 1 3445 1 8464 8476 1 4139 4404 1 3214 2053 5137 1 1 4187 7202 1 1 2151 3059 1 1 15055 5942 3676 5737 1 1 14361 1 6810 1391 9235 2025 1 1 3541 1353 1196 1608 1643 12644 6374 1 6131 5198 1055 8031 4208 1 HMDB03364 C00472 108.0212 *108.0273* 108.0273@2.372673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4264 1 1 1 1 1 1 1 1 1 1 1 108.0273 *108.0293* 108.0293@2.321855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4236 1 1 1 1 1 1 1 1 1 1 108.0293 *108.0332* 108.0332@1.3341832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2822 1 1 1 1 1 1 1 1 1 1 108.0332 *108.0457* 108.0457@1.1969618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 2412 1 1 1 1 1 1 2747 3098 108.0457 *108.0497* 108.0497@1.2062442 1 1 1 1 4523 1039 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0497 *108.0667* C6 H8 N2 58488 59109 61741 64490 56782 57088 60096 58346 62794 62158 55969 59662 55188 56746 60796 60371 47031 53535 58599 57472 55177 55527 57451 55451 53402 52712 53860 56068 51464 49482 56223 57036 57278 59236 54050 53774 45101 50014 57732 59083 54272 58134 55039 56094 53998 55440 52210 55191 47315 48660 60223 60470 56478 57426 62940 60159 54847 57304 50227 51952 70794 68221 61586 61493 70291 67421 63552 65621 55246 56079 71119 66921 56396 54652 62842 63572 69715 71318 70782 72164 72775 72170 69667 70392 75284 72465 73277 77722 63700 65535 108.0667 *108.0688* 108.0688@3.907093 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1675 2081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0688 *108.0861* 108.0861@1.100026 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 108.0861 *108.0909* 108.0909@1.1093739 1927 1174 1 1 1605 1 1 2149 1905 1 1 2081 1 1 1 2383 1184 1 1 1 1732 2334 2621 1546 1613 1 1 1784 1015 1 1643 2504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 2006 1782 1948 1524 1410 1 1 1 1736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1854 1 1 2271 1 2080 1 1 1 1 1 1 1 1 108.0909 *108.0928* 108.0928@1.2026275 1719 2066 2647 3237 1726 1607 1951 2033 2123 2274 4823 4679 2131 2262 1 1 1 1 4378 3301 1768 1773 2471 2153 3008 2690 5537 4038 3016 2525 4874 3910 6554 5657 2726 3169 5122 5834 2759 2386 2793 2847 2541 2907 7436 7408 1996 2137 2716 2857 2056 2064 2917 2738 4134 3332 2055 2093 2253 2424 1975 1760 2474 2023 1 2234 3036 4429 2390 2462 1685 1954 2371 2440 1707 1814 1 1332 3987 2831 1 2115 3054 3412 1396 1727 3513 3495 1 1 108.0928 *108.093* 108.093@1.101748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1759 1 1 1 1 1 1 1 108.093 *109.001* 109.001@6.8734307 1 2168 2108 1 2553 2002 1884 2365 2249 1950 1 3323 2969 2242 1870 3132 1 1 2964 2980 2527 3083 2687 3048 3526 3273 2463 2341 1766 1940 3180 1 4062 3437 1 2327 2695 2751 3934 3459 3314 4341 2538 2103 3805 3504 1 1 2129 3639 13166 13880 8344 7429 3001 3728 4540 4227 1 1964 10694 11155 3222 2101 3278 6159 5249 3131 3132 2708 22979 20967 2012 2861 4236 5296 20674 19941 9849 12115 21267 14759 16019 15692 19831 21360 12183 12103 8530 8494 109.001 *109.001* 109.001@6.9050975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3004 1 1 2126 1 1 1 1 1 1 1 1 109.001 *109.0273* C4 H3 N3 O 9999 10142 6800 6792 6702 6764 9298 8649 6463 6830 9476 9642 7596 7919 9871 10217 7579 8460 7950 7640 7870 6377 12678 12503 6686 7108 4102 5211 7518 7733 6816 6804 5678 4227 7526 8944 10056 11383 12169 11936 11000 10033 4679 4109 6194 6262 8790 8757 9606 9051 6626 5516 8890 9271 13501 12543 6002 5086 11321 11216 9145 9284 8761 8964 8402 8653 10628 9505 7597 7822 8576 9412 7204 7627 4850 4900 6911 7322 13595 14009 7486 7903 8644 7844 10356 10176 4390 4809 8331 7826 109.0273 *109.028* C4 H3 N3 O + 2.9015765 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 1 1 1 1 1 1 1 1317 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3039 3182 2356 2447 2030 1946 1 1 1 1187 3544 4197 1 1 1 1980 2315 2382 1 1 3308 3607 1 1 1738 1993 2663 1 2702 3305 3355 3555 3049 1 3943 3619 3402 3275 1764 1 109.028 *109.0503* 109.0503@1.9548001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0503 *109.0521* 109.0521@0.80036926 1 1 1629 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 1048 1 1 1 1 1 1 1971 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 3257 1 1 1 1 1 1 2853 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0521 *109.0522* 109.0522@1.1981046 1 1 1 1 32120 33634 14700 15133 1 1 1 1 26040 22681 1 1 54901 56813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5082 5595 1 1 1 1 1 1 1 1 29389 32937 1 1 1 1 1 1 1 1 30713 27998 1 1 92925 94821 1 1 1 1 1 1 95761 103223 109.0522 *109.0526* o-Hydroxyaniline 1 1 1 1 1809 1730 2675 3175 1 1299 7961 8217 6985 6685 1 1 1 1 2726 3077 1 1 1 1 1 1 1 1 1 1 1 1 2189 1572 3812 3735 1 1 4105 4357 2683 2339 1 1 1425 1236 1310 1441 1568 1644 1 1 5123 5101 1140 1 1683 2026 1277 1488 3721 4017 1 1 7059 6982 1184 1091 9828 8219 4322 5850 1071 1 4764 4839 5846 6035 7186 7011 2818 3070 1 1 4105 4484 6891 6963 1 1 109.0526 *109.0526* 109.0526@3.5869198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 109.0526 *109.0527* 109.0527@1.906167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5627 1 1 1 1 1 1 1112 1217 1 1 1 1 15129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2731 1 1 1550 1 1 1 5615 8833 1 1 1 1 1 8372 3405 1 4314 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0527 *109.0528* 109.0528@3.0495827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7238 8312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0528 *109.0531* 109.0531@1.2739701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4151 1 109.0531 *109.0545* 109.0545@4.352229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 109.0545 *109.0604* 109.0604@1.2825044 1 1 1 1 1 1828 1 1 1 1 1 1 2523 2627 1 1 1 1 1 1 1 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 1942 1827 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 1240 1 1 1 1 1 1 1 1 1 1 109.0604 *109.1417* 109.1417@1.195877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1054 1101 109.1417 *110.0006* 110.0006@6.868321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3450 1 1 1 1 1 1 1 1 110.0006 *110.0385* 110.0385@1.0548987 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 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 1 1 1 1 110.0385 *110.042* 110.042@1.1248293 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 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.042 *110.0487* 110.0487@3.4094684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10476 21362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28276 15284 1 1 1 1 1 1 1 1 1 1 9480 14799 3918 1 1 1 1 7187 1 1 1 17334 1 3863 1 1 1 1 1 3085 1 1 1 1601 1 1925 110.0487 *110.0494* 110.0494@3.5090435 1 1 1 1 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10573 1 1 1 1 1 5439 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 1491 1 1 1 1 1 1 1 1 1 3318 1 1 1 1 1 2128 1 1 1 1 3640 1 1 1 1 1 1 8803 1 1 1 1 11969 1 1 1 1 2815 1 6971 1 1 1 1878 1290 2075 110.0494 *110.0497* 110.0497@1.6066622 1 1 1 1 1 1 1 1 1 9753 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1 1 1 1 1 1074 1 1 1 2273 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3104 1 1 1 1 1 1 1 1 1 1 2256 1 1 1 1 1 1 1 1 2852 1 1377 1 1 1 110.0497 *110.0503* 110.0503@3.4144142 1 2400 1 1 1162 4565 2211 1 1 1 2787 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 9464 2316 1 1 1 1 1 1 1 1 1 1 1985 1910 1 1 1 1 1 1 1 1 1 1 1 11961 1 1 8235 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 1176 1 1 1 7416 9896 2014 110.0503 *110.0514* 110.0514@3.3747208 1 1123 1 1 1 1 1 1 1 1 1960 1728 1253 1 1 1 1 1392 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 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1813 1 1 110.0514 *110.0519* C5 H6 N2 O 1 4282 1 7375 1384 1 4791 6083 10526 3376 1 5214 9750 10087 1 1 1 2913 1 4002 4010 3096 2824 1580 2453 1 2037 1 2386 1794 1921 2422 7490 4337 1 4227 4925 1912 2736 3287 6985 6471 2633 5282 1 2463 7498 7603 1 3558 1 1874 1595 4442 1 1 7031 6843 1 1 3544 3962 3471 1 2773 3361 1769 1 12266 8760 5859 1 7860 4742 1 2780 5679 1 3587 1 5106 2922 1 1393 3907 1 2516 1 1 2329 110.0519 *110.0539* 110.0539@1.454175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2869 1 1 1 1 1 1 3133 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1 1 1439 1 1 1 1049 2360 2542 1 1 1 1 1 1 1 1 1 1 2077 1 1 1 1 1 1 1 1 110.0539 *110.0545* 110.0545@3.4043834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0545 *110.056* 110.056@1.6318796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.056 *110.0564* 110.0564@4.020434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 110.0564 *110.0569* 110.0569@2.9060416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 2509 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 110.0569 *110.0587* 110.0587@0.62036675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 110.0587 *110.0589* 110.0589@5.6410193 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1361 1630 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 1 1575 1 1 1484 1 1 1 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 110.0589 *110.0627* 110.0627@1.8513966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0627 *110.0654* 110.0654@1.2187495 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.0654 *110.0744* 110.0744@4.2511516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 110.0744 *110.0746* 110.0746@4.6172485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 110.0746 *110.1048* 110.1048@1.203232 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 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110.1048 *110.1054* 110.1054@1.197024 1 1 1 1 1 1 1127 1 1 1051 1 7998 1828 1584 1 1 1 1 1362 1086 1467 1100 1 1 3097 1234 1 1459 1894 1614 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 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 1 110.1054 *110.9996* 110.9996@6.8689218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2438 2639 1 1 1 1 1987 2152 1 1 1 2126 1528 1 2548 2748 1 1 1 1 110.9996 *111.0329* 111.0329@5.5447674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0329 *111.0427* 111.0427@2.192462 1658 1 1 3593 1 1 1 1 1 4391 3005 1 1 1 1 1 1 1 1 1 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 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6198 1 1 1 4191 1 1 1 1 1 1 1370 1 1 1 1 1 1 5359 1 1 1 1 1 111.0427 *111.043* 111.043@3.4232697 1 1 1 1 1 1 1 1 1 1 2918 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1 2308 1 1 1 1 1 1033 1 1032 1 1 1 1 1 1 1 1 1 1438 2467 8877 1 1 1 1 1 1 1 1 1 1 1862 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2641 1 1 1 1 1 1 1036 8684 1 1 1 1 1 111.043 *111.0434* Cytosine 2899 4939 5407 2435 5151 4521 3071 3631 4591 1106 3793 6724 3861 2621 4514 4459 5412 5944 5916 1 9167 9692 7133 7462 1 1 4671 2228 1 3040 6171 5671 8686 10115 4951 5248 4981 4895 4642 4297 3284 1317 1 1976 3441 1 1 4723 8238 3441 5628 5662 2925 5285 1956 1 3049 1203 2065 1 1 3871 3209 4365 1 4017 3864 10929 1611 5777 1395 5875 1 1 1794 2257 1 1 1494 1497 1 6594 2788 1 2226 7117 5504 3423 4378 1266 HMDB00630 C00380 111.0434 *111.0434* Cytosine + 3.9714646 6055 6713 7204 5869 2585 6174 6603 7684 7035 7232 8142 7014 6391 6100 3868 7563 7505 7569 7100 6868 6472 6619 6009 5842 6466 6000 7980 7975 5593 5608 7683 6966 6873 6500 8901 9343 7968 7493 7089 6722 7476 7860 7433 8414 6019 6098 6447 6744 7381 6502 7742 8256 7612 7722 5120 5795 13671 13935 5428 6124 8997 9172 8001 7546 10052 11299 13829 13127 7499 8278 11647 11341 8016 7194 9261 10924 11632 11667 25907 27021 10448 10024 9155 9068 13082 12821 13978 14885 10141 9814 HMDB00630 C00380 111.0434 *111.0434* 111.0434@3.9724147 1 1 1 1 4699 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0434 *111.0435* Cytosine + 3.4505904 7401 7183 7436 6877 7013 7527 6263 6442 7478 8392 5908 7154 9132 9062 10055 9176 8672 8440 7135 6848 10801 10256 7701 7645 6281 6015 8131 7021 11107 2664 1 1 9865 11714 7666 6839 9569 8869 6237 6149 8279 7784 7227 7382 7493 7243 7240 5253 9239 2751 12181 12888 9290 8491 7037 8803 7237 8520 9632 7468 8207 6062 8016 7431 8908 9005 6436 6286 8843 8609 9825 10231 8228 9166 11642 10009 16640 12309 12776 13979 8968 8946 8924 8082 1164 10976 9967 8980 4606 7284 HMDB00630 C00380 111.0435 *111.0435* 111.0435@3.4367943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0435 *111.0457* 111.0457@2.8595765 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 1 1 1 2488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1355 1 1 1 1 1 111.0457 *111.0629* 111.0629@1.4125222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 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 1 1 1 1 1 1 1 1 1 1 1 2449 1 1 1 1 1 1 1488 1 1 1304 1 1 1 1 2031 1593 1 1 111.0629 *111.0633* 111.0633@1.4822191 1 1519 1 1 1 1 1 1 1 1 1 1 1 1056 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 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4494 1 1 1 1 1 1 2556 2425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 111.0633 *111.0653* 111.0653@1.345349 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3535 1 1 1 1 1 1 1547 1 1 1 1 1 1 111.0653 *111.0657* C6 H9 N O 1669 1 2159 2308 1 1 33325 37662 1 1 35134 35906 5215 4416 2915 1505 1 1 1 1 1 1734 1 1 1 1740 1188 1 1354 1 1795 1 10840 15700 1 1 1 1 1 1 1 1 1 1 1 1 1589 1 20064 20492 2848 1183 1419 1274 2342 1 1 1 1 1 8235 12804 1 1 2012 1374 15558 13854 11657 15631 2004 1363 11338 15395 1202 1098 2766 1 2096 1 1 1 2484 2085 1 1421 3386 3245 1 1231 111.0657 *111.0659* 111.0659@2.9161367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6422 2460 1 1 1 1 1 1 1 1 1 1 111.0659 *111.0665* 111.0665@1.8886871 1 1 1 1 2653 2564 1 1 1 1 1 1 1 1 1 1 1 1 1379 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4213 111.0665 *111.0788* 111.0788@5.296523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1321 1 1 1 1 1 1 1 1 1 1 111.0788 *111.0791* 111.0791@6.1285353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1481 1 1 1 1 1 1 1 1 1 1 111.0791 *111.1028* 111.1028@1.6683722 1 1 1 1 1 1 1601 2185 1 1 1 1 1 1 1 1 1 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 1 111.1028 *111.1036* 111.1036@1.6432738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 3089 1 1 5506 3513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4700 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 1 111.1036 *112.0271* Uracil 12101 11920 11709 11287 10659 10566 11574 12060 15314 15929 12782 12962 14595 13575 16728 16652 10050 9100 11781 13352 9795 10749 14108 14141 11861 10623 16777 17210 11486 11465 17642 17055 13143 12621 13804 13072 12784 13653 11614 12433 16750 16189 16393 17279 15484 14735 13549 13418 11280 12373 20970 20921 14855 13683 15301 14467 18222 19582 7745 7780 14046 14129 15551 13803 11595 11874 14818 14402 13163 14828 11874 13219 16615 17347 16951 16356 15044 14478 48720 47159 12642 11684 14194 15247 20167 19861 18070 18979 12876 13871 HMDB00300 C00106 112.0271 *112.0285* 112.0285@1.6984203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 112.0285 *112.0318* 112.0318@2.0704482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1230 1 1 1 1 1 1 1 1 1 1 112.0318 *112.0479* 112.0479@1.7267163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 112.0479 *112.0493* 112.0493@2.280894 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 2186 1 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1 1 2529 1 1 1 1 1 1 1 1 4296 1964 1 1 1 1 1 1 1 1 1 112.0493 *112.0505* 112.0505@2.5321186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1479 1 1 1056 1 1 1 1 1863 1134 1 1 1 1401 1521 1 1 1 1 112.0505 *112.0508* 112.0508@3.9967976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 112.0508 *112.0517* 112.0517@1.7819259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11680 1 1 1 1 1 1 1 112.0517 *112.0524* 112.0524@1.4221694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 112.0524 *112.0527* 3,5-hexadienoic acid 1844 1358 1206 1969 1 4019 1 1 1 2166 1015 1329 1 1704 1610 1266 1 1 1738 1480 1623 3663 2422 1869 1178 1 1547 1983 1248 1 1348 2120 2320 2627 1015 1261 2843 2903 3602 3245 10001 11639 1743 3398 1049 1 3366 32193 1 2433 2001 2381 3405 2797 1 1419 4866 4822 1756 1834 1935 3092 3334 3338 6660 5048 3075 3812 1 1827 2643 2203 3793 4870 1826 2082 3608 6907 2637 3369 3721 6937 2552 3548 3164 2084 2584 2429 3057 3441 112.0527 *112.0528* 112.0528@1.1901699 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0528 *112.0548* 112.0548@1.1551173 1 2494 1 1 1476 4075 1 1 1 1564 1467 1427 1 1 1495 1396 1 1 1 1138 2058 1887 1217 1387 1 1339 1079 1 1 1679 1 1 1 3878 1340 1 1 1 1 1 2281 1951 1 1 1 1 1 11289 1 1 1 1 1483 1149 1042 1 1 1927 1217 1 1 1646 1 1 1428 1392 1538 1717 1 1 1 1 1 1945 1 1 1 2730 2222 1550 1 2233 1 1654 1392 1 1209 1314 1 1 112.0548 *112.0561* 112.0561@1.2027797 1 1 1 1 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 1 1 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 1 1750 1489 1 1 1445 1 1 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1 1 1861 1050 1 1 1 1 1 1 1012 1476 1 1 112.0561 *112.0613* 112.0613@5.642937 2209 1489 1798 2031 1667 1474 2097 2330 2474 1819 1 2048 2216 2014 1895 2340 1852 1754 1893 1761 1862 2005 1816 1934 1881 1862 2162 1812 1997 1348 1702 2151 1888 1749 1847 1 1731 1873 1487 2196 1 1614 1 1858 2033 1606 1817 1867 1417 1804 2070 2163 1783 1742 2116 2002 1830 1594 1789 1497 2571 2051 1638 1954 2445 1 2165 2467 1686 1729 1984 2368 1864 1871 2336 1 2541 2427 2273 2175 2259 2334 1792 2666 1 2464 2214 2011 2145 1970 112.0613 *112.0619* 112.0619@3.9409251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 112.0619 *112.0633* 112.0633@3.2470226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65760 64608 1 1 1 1 1 1 1 1 1 1 112.0633 *112.0674* 112.0674@1.4927186 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0674 *112.0723* 112.0723@1.2111795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 4409 1 1 1 1 1 1 1 1 1 1 1 1 112.0723 *112.0747* 112.0747@5.0457973 1 1 1 1 2628 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5600 5187 1 1 1 1 1 1 1 1 4050 3924 1 1 1 1 1 1 7061 6688 5903 6436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2829 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 112.0747 *112.0873* 112.0873@1.1461068 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 1 1 1 1 1 1 1 1 1 1 1 1 112.0873 *112.0991* 112.0991@7.3712425 1 1 20440 20785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 1 1013 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 1973 2232 1345 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1621 1 1 1 1 1 112.0991 *112.1241* 112.1241@1.0190248 2497 2335 3009 2882 2391 2566 2568 2616 1979 2301 1923 1949 2724 3185 2262 2883 1978 2061 2395 2131 2340 2676 2596 2420 2063 2034 2260 2302 2218 2568 2163 1860 1982 2122 1990 2140 1787 2064 1870 1652 2207 1927 2562 2312 2185 2124 2079 2417 1822 1485 1816 1777 2294 1839 1587 1210 2081 1961 1723 1920 1488 1 1521 1393 1494 1 1 1 1491 1370 1 1 1656 1671 1397 1575 1 1116 1 1142 1339 1096 1 1461 1 1089 1123 1218 1607 1884 112.1241 *112.1246* C8 H16 3761 3596 2573 2784 3793 3909 3627 4579 4162 4655 3426 3237 6045 5281 4805 4547 2450 2652 3865 5068 3702 5043 6647 5887 6017 5591 4198 4418 4852 5006 2299 2720 2854 2545 2550 2057 2070 2015 2852 2674 2566 2398 3115 3706 2356 2578 1992 2074 2397 1892 3332 3312 4510 4209 2989 3330 3456 3656 2715 2072 2583 2149 1744 2003 1883 1961 2269 1971 1486 1635 1 1393 2030 2056 2555 2664 2331 2183 2981 3420 2934 2872 2033 2301 2591 2681 2020 1864 1761 2147 112.1246 *113.0497* 113.0497@2.5437624 6168 6874 6512 7728 6012 5276 10210 9557 5975 5337 6553 6905 7256 7193 5149 6186 5435 6358 7656 7443 5914 6760 10388 10003 4474 4530 3497 3003 10316 9957 7526 8025 11618 9981 6038 7029 11619 12936 10561 11071 11522 12972 8950 9891 7752 8098 6119 7153 5646 5350 6319 6443 8592 7294 7907 7430 4361 4311 5952 6761 6406 7618 6607 5729 4907 1 8997 7952 7313 7111 8683 9958 5467 6212 4433 1 6936 6347 11705 10438 10292 11067 6448 5654 10090 10792 3744 4126 5630 7059 113.0497 *113.0504* 113.0504@2.0532384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6738 8907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0504 *113.0523* 113.0523@1.2436017 7807 8406 1 1 1 1650 3394 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3177 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4218 4493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19765 17394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0523 *113.055* 113.055@1.2645053 1 1 1 1 2210 1 1 2338 1 1 1546 1 1 1 1 1 1 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 2535 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 1791 4629 1 1 1 1 1 1 1 2595 3309 1 1 1 1 1 1 113.055 *113.0552* 113.0552@2.0328138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 113.0552 *113.0571* 113.0571@1.2639666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1588 1 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1696 1 1 1 1 1 1 113.0571 *113.058* 113.058@13.112655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.058 *113.0584* 113.0584@2.0510042 1 1 1 1 1233 1 1 1585 1 1 1 2455 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 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 2439 1 1 1 1 1 1 1 113.0584 *113.0586* 113.0586@0.6334198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1820 1 1 1 1 1 1 1157 1 1 1 1 1 1 113.0586 *113.0587* 113.0587@2.3794806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4730 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0587 *113.0589* C4 H7 N3 O 1369 1 4323 4791 1 1 5160 4240 2947 1 6081 6102 3966 3609 1177 3048 5449 6140 5472 5279 1 3923 1 2250 1 2750 4031 3710 1 1 3122 1633 2259 5163 5398 3785 5392 5599 2709 2291 2790 3239 2325 4549 1 1 1 1 1313 3468 1 1321 2497 1 1 6328 1 1 1641 4476 7237 5963 3434 3496 4579 1 4793 2343 2956 3206 4392 4033 1 2745 1900 1 3190 1 2687 1 4622 1386 1 3813 6113 6011 4564 4747 2928 1 113.0589 *113.0589* 113.0589@5.2637405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0589 *113.0593* 113.0593@4.2973547 1 1 1 1 21331 1 1 1 1 1 8777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8289 1 9118 1 10304 1 1 1 1 1 1 1 8399 1 1 10515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8266 13508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0593 *113.0595* Creatinine + 6.952171 1 1 7065 1 1 5347 1 1 1413 6133 1375 1 1 1 1 1 1 1 1 1480 1385 1 1405 1 1 1 1 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 1 1687 1 1928 1242 1 1 1 1 2416 2688 2215 1 1 1 1 1667 1 1 1 1 1 1 1967 2479 1 1 1 1 12749 13662 1 1746 1 1 13261 2678 2817 1445 1 14818 1726 1601 1846 1765 1431 2997 1079 3945 HMDB00562 C00791 113.0595 *113.0596* Creatinine + 4.0809956 413983 417030 1.28E+07 432228 1.01E+07 1.05E+07 1.24E+07 1.18E+07 1.21E+07 1.19E+07 1.34E+07 1.33E+07 1.17E+07 1.17E+07 1.11E+07 365773 1.24E+07 407437 1.44E+07 1.44E+07 1.21E+07 322315 444603 1.31E+07 7741 1.05E+07 443747 1.26E+07 1.13E+07 346756 435987 426415 1.32E+07 1.31E+07 1.31E+07 1.30E+07 391110 397016 1.46E+07 1.45E+07 476152 1.38E+07 1.23E+07 1.22E+07 91863 328659 1.34E+07 309864 1.25E+07 1.26E+07 1.31E+07 302139 1.40E+07 478790 1.27E+07 315020 1.21E+07 1.22E+07 1.48E+07 450267 1.61E+07 306339 511384 1.56E+07 1.28E+07 348526 498812 1.62E+07 1.41E+07 378549 270205 1.59E+07 1.12E+07 1.10E+07 1.26E+07 1.27E+07 508878 1.47E+07 1.41E+07 1.42E+07 451628 375296 1.39E+07 1.41E+07 688270 1.62E+07 466389 1.43E+07 324331 1.52E+07 HMDB00562 C00791 113.0596 *113.0596* 113.0596@4.982721 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 1 1 1 1 1 1 3799 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0596 *113.0597* 113.0597@4.007828 1 1 1 1072772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1.24E+07 1 1 1 1 1 1 1 1 1 1156639 1 1 1 500681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330926 1 1 1 1 1 1 1 37449 31887 1.53E+07 1.51E+07 1 1 1 1 1 1 1 1 113.0597 *113.0597* Creatinine 1.15E+07 1.16E+07 1 1.13E+07 1 1 1 1 1068 1 1 2015 1 1 1 1.14E+07 1 1.21E+07 1 2059 1 1.18E+07 1.26E+07 1 1.05E+07 1 1.20E+07 1 1 1.11E+07 2997 1.24E+07 2489 1 1 1360 1.50E+07 1.50E+07 1 1 1.21E+07 1 1 1 1.17E+07 1.20E+07 1 1.31E+07 1 1 1 1.24E+07 1830 1.35E+07 1 1.23E+07 2157 1 1 1.44E+07 1 1.56E+07 1.50E+07 1 1 1.26E+07 1.57E+07 1 2127 1.37E+07 1.53E+07 1 1 1344 1 1 1.41E+07 1 1 3370 2543 1417 1 1 1.55E+07 1 1.37E+07 1 1.49E+07 1 HMDB00562 C00791 113.0597 *113.0598* 113.0598@4.810956 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 113.0598 *113.0599* 113.0599@5.122767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0599 *113.0602* 113.0602@1.3100774 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1440 1 2042 2763 1 1 1659 1 1 2231 2476 1 1 1 2278 1 1 1 1 1 1 1 1 1 3244 1 1 3617 1 3606 4250 2184 2642 1 1021 1 1 1 1 1 1 1 1 1 1 1 4446 1 1 1 1 1 1 1 1 2634 1 1 1 1 2623 1 5648 1 1 1123 1 1 1 1864 1 1 113.0602 *113.0602* 113.0602@2.0912209 1 1 1 1 1 1 1 1 1 1 2013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0602 *113.0604* 113.0604@4.80757 1 1 1 1 2843 1 1 1 1 1 1140 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1746 1 1983 1 1542 1 1 1 1 1831 2043 1 1 1 1 1 2042 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1900 1 1 2096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0604 *113.0605* 113.0605@5.7721906 1 1 1 1 1 1 1 1 1391 1 1458 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0605 *113.0605* 113.0605@1.2331051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0605 *113.0619* 113.0619@6.9584675 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 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0619 *113.062* 113.062@3.0655966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3062 1561 1 4748 3195 1 1 3554 3421 1 1 1 1 1 1 1 1 1 1 2637 1005 1 1 1 1 1 1 1 1 8279 6609 1 1 1 1 3011 2260 1 1 113.062 *113.0624* 113.0624@1.8632605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1516 1 1 1049 1 1 1 1 1 1410 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0624 *113.0638* 113.0638@1.312747 1 1 1 1 1 1 1 1 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 2729 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 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0638 *113.0639* 113.0639@3.875231 1 1 1 1 1 1707 1 1000 1 1 1 1 1 1 1 1 1 1 1664 1 1268 1301 1 1 1 1 2304 1 1 1246 1 3966 1 1 1 1 1 1 1 1 1 1472 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 2146 1 1 1 1 2652 5450 2767 1 1 1 1 1 1 1 1 1 1958 1 1 1 1172 1 1 1 1 1 1 1709 1 113.0639 *113.0639* 113.0639@2.415814 1 1 1 1 1 5501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0639 *113.0648* 113.0648@4.3695817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5544 5624 1 1 3058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0648 *113.0662* 113.0662@4.369991 7008 6964 5824 6477 9295 7107 5580 1 6266 1 6009 1 1 1 1 6865 5606 1 1 1 1 6389 1 1 5888 5694 5467 5004 4756 4710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7823 1 1 9632 12934 7766 1 1 1 1 1 7283 1 1 1 1 1 1 1 1 1 1 1 1 1 14605 1 1 113.0662 *113.0667* 113.0667@3.8769646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0667 *113.0673* 113.0673@3.0597427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 113.0673 *113.0706* 113.0706@1.209394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 4857 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0706 *113.0723* 113.0723@3.9425614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0723 *113.0724* 113.0724@1.2090673 1112 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 2821 4434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3527 1 1 1104 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0724 *113.0734* 113.0734@1.6620277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 10672 1 1 1 1 1 1 1 1099 1 1 113.0734 *113.0736* 113.0736@2.5236797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 2148 1 1 1 1 1 1 1 1 1 113.0736 *113.0751* 113.0751@6.0760274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 113.0751 *113.0785* 113.0785@2.5370433 1 1 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 4156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2947 4067 1519 1 1 5592 1118 1 1 1 1 1 4873 3313 1 1 5175 3945 1 6530 1406 3700 1 1 1 1 2163 1 1 1 8135 1 1 2540 1 1 1 5333 1 1 1 1 1 1 1 1 113.0785 *113.0787* 113.0787@1.1716441 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1221 1 1 1 1030 1008 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 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 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 113.0787 *113.0788* 113.0788@1.6506038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 1604 1 1 1 1 1 1 1 1 1 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 1 1 3179 6467 1 1 1 1 1 1 1 1 2637 1 1 1 1 2961 1 1 1 1 1 1 1 1 1 113.0788 *113.0789* 113.0789@6.076932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1063 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 1 113.0789 *113.0795* 113.0795@2.561212 1 1 5799 2766 8314 8533 1527 1 1 1 1 1 1 1 1 1 11157 10260 1 1 8816 7989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1608 2022 1997 5002 1 1 1427 1443 1 1 1 1 1858 1 1 1544 2499 4217 1 5322 1 1 1 1 1 1 1 1 1 1 9148 1 1 1 1 1 2160 1 1 1 1 1 1 10255 9210 113.0795 *113.0796* 113.0796@3.7276273 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0796 *113.0807* 113.0807@1.6673285 1 1 1 1 1 1 1 1 1 5200 1 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2712 4222 1 1 1 1 1 1 1 1 1 9930 1 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0807 *113.0808* 113.0808@1.9232494 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.0808 *113.0821* 113.0821@6.1008368 1 1 1 1 1743 2487 1 1 1 1 3439 3465 2626 1812 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1285 1 1 1 1 1 1 1 1 1 3528 1 1 1 1 1 1 1 1 1 1 1553 1 1 1 3503 3819 1 1 3191 3076 2224 2127 1 1 1 1094 1987 2447 2748 1279 1 1 1 1 1 1 2870 3501 3906 4257 113.0821 *113.0829* 113.0829@1.5614161 3348 64415 46579 1 5534 1 1 1 1 85098 2963 5530 1 1 6677 1 1 1 1 1 1 34611 1 9092 1 66728 1 1 1 1 42244 15882 1 1 17333 1 1 37729 21851 11167 25417 7524 1 1 37966 34535 39674 11970 44296 15924 12643 12560 13863 59879 1 15328 1 1 30944 16173 137354 53293 1 1 1 11060 1 1 1 1 1 25663 1 1 127064 10993 6917 38533 1 53554 1 71646 1 1 7559 33490 1 1 1 1 113.0829 *113.0831* 113.0831@1.494407 1 2478 162847 1 1 1 1 1 1 8553 1 1 1 1 1 1 1 1 1 1 1 238217 1 1 1 1 1 1 1 1 1 24384 1 1 1 1 1 1 30580 42581 31328 33799 1 1 1 1 1 26529 1 28160 27730 27177 42984 1 1 22602 1 1 1 15092 1 83428 1 1 1 1 1 1 1 1 1 4453 1 1 1 132310 1 6132 1 1 1 99720 1 1 1 1 1 1 1 1 113.0831 *113.0835* epsilon-Caprolactam 301583 252026 59932 312052 379318 365342 387933 386400 371308 298111 521079 532884 453441 448840 503612 492213 505436 506506 551337 543591 568766 161403 399932 414562 299234 241403 269796 273143 266996 267730 22005 23592 60798 55728 51114 68682 81674 39405 33848 29587 29453 28814 1 1 24807 24712 16730 17380 33921 31825 25921 24055 28390 26725 80133 36079 1 70638 23204 23341 79275 79614 170290 169870 157824 147171 174203 179530 108490 113242 136695 107738 204211 207218 81018 76278 132839 129894 231810 186292 80015 78401 135827 146843 106357 110930 150361 158290 73830 92288 113.0835 *113.084* epsilon-Caprolactam + 6.254129 13555 14562 20556 19802 11547 11424 17575 5016 18184 19069 19221 18681 3494 13406 16049 16878 20211 20561 18159 18468 10999 12570 10068 10299 12484 12138 29992 29930 8930 8807 12893 13539 15247 15418 16504 14746 16171 16167 14870 14713 16270 19091 6690 24229 10352 10363 14172 13267 11883 1 20595 19591 16653 15538 15160 14222 15310 4437 10221 10254 20624 19673 22068 21294 22375 22192 17249 18192 14669 15019 23738 24047 1 19368 21771 21590 21274 23388 13758 13351 17155 18169 25954 25731 27438 27823 24696 24755 1 1 113.084 *113.1486* 113.1486@4.1864705 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1347 1333 1 1 1 1 1 1 1 1 1 1 1605 1 1 1 1 1 1 1563 1793 1 1 1 1143 1 1 1207 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1302 1 1 113.1486 *113.9159* 113.9159@4.048385 1 1 1 1 1 1 1 1 1 1 1 1 1 5503 1 1 1 1 1 1 1 1 1 1 1 6541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9330 1 1 1 1 1 1 3749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6061 1 1 1 1 1 1 1 1 1 1 1 1 1 8553 1 1 1 1 1 1 113.9159 *113.9197* 113.9197@4.0534143 1 1 1 1 1 1 1 1 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 5718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9197 *113.924* 113.924@4.046684 1 1 1 1 1 6120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.924 *113.9287* 113.9287@4.0489416 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 113.9287 *113.9311* 113.9311@4.04486 1 1 2602 1 3130 1 3951 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 1 1 1 1 1 1 1 1 1 1 6337 1 1 1 1 1 113.9311 *113.9384* 113.9384@4.05784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7166 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 1 1 1 1 1 1 1 1 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 1 113.9384 *113.945* 113.945@4.03802 1 1 1 1 1 1 1 1 1 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 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 6752 1 1 1 1 1 1 1 1 1 1 1 4382 2766 1 1 1 1 1 1 1 1 1 1 1 1 113.945 *113.9493* 113.9493@4.0475507 1 1 1 1 1 1 1808 1 4553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 6045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9493 *113.9536* 113.9536@4.0432577 1 1 1 1 1 1 1 1 1 5754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8475 1 1 1 1 1 1 1 1 1 1 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 8188 1 1 1 1 1 1 1 7440 9092 1 6699 1 1 1 1 1 1 1 113.9536 *113.9601* 113.9601@4.0418067 1 1 1 1 4649 1 1 1 1 1 1 1 4344 1 1 1 1 1 1 1 1 1 1 3023 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9601 *113.9657* 113.9657@4.028585 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9657 *113.9673* 113.9673@4.0433517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1 3566 1 1 1 1 1 1 1 5442 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 4205 1 1 6493 1 1 1 1 1 1 1 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9673 *113.975* 113.975@4.0503654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 113.975 *113.9809* 113.9809@4.0431833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8042 1 1 1 1 1 1 1 1 1 1 1 3722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9809 *113.9863* 113.9863@4.0418725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 5461 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 3676 1 1 6705 1 113.9863 *113.9954* 113.9954@4.0408883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 113.9954 *114.0027* 114.0027@4.0323787 1 1 1 1 1 1 2573 1 1417 1 1 1 1 1 1 3875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0027 *114.0305* 114.0305@1.6455872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17945 15525 1 1 1 1 1 1 1 1 1 1 114.0305 *114.0314* 114.0314@1.2270551 1 1 1 1 68033 64627 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 48368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0314 *114.0315* 114.0315@2.8117704 1 1 1 1 1075 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0315 *114.0316* 114.0316@2.5628054 1 1 1 1 1181 1 1 1 1 1 1983 1 1 1 7108 1 1 1 1 4181 12314 1 2464 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 1224 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 6916 1099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11083 1 114.0316 *114.0317* 3-oxo-4-pentenoic acid + 2.409796 23725 24959 19454 12294 8262 35317 19678 36285 9933 28258 13772 21289 11535 12196 4124 18612 23125 11461 13452 10073 15183 10505 12888 16615 20414 11320 29259 8740 17050 18861 17637 32301 10223 7073 25456 13289 6583 12532 20275 12217 18976 25391 14500 5090 8986 16896 29389 29560 3133 18103 17595 28365 11059 15267 22207 14708 19860 20427 19334 19636 8926 31038 8445 11875 19300 23824 21444 11244 21259 20774 35079 33443 38827 35622 23720 8628 33786 19223 1 39259 25476 7531 32278 33213 17242 28408 27970 32960 14746 4988 114.0317 *114.0317* 3-oxo-4-pentenoic acid + 2.3765612 1 1 5482 14032 1 1 15367 1 1 1 8262 1 7823 1 6132 1 1 14028 1 1 3233 22986 4825 4321 11608 12539 1 1 1 1 11816 1 5645 4604 1 15204 11425 5367 1 5396 3977 1 10098 2990 4688 1 1 1 1 1689 12406 1 2967 1 1 6800 1 1 1 1534 1 1 3866 3796 11191 7840 1 4889 1 1 1 1 1 1 1 6143 1 12836 1 1 1 1 1 1 6548 1 1 1 4722 9055 114.0317 *114.0317* 3-oxo-4-pentenoic acid + 2.7539575 1 3123 1 4246 2252 1 3852 1105 3462 1 1218 1 1 1040 1 4421 5507 1 3271 1691 1 1757 3127 2415 1 1929 1 1 2917 1 1 3601 5486 1 3869 1387 2480 3374 4330 1 2168 1 4427 1 1 3850 3594 4352 1 1589 1299 2586 2085 1627 1 2881 1 2929 3782 2555 1 1 1 1813 1 1078 2009 2590 4000 3015 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 2169 1 114.0317 *114.0317* 114.0317@2.698773 1 1 1 1 1247 1 1 1 1 1 1679 1 1 1200 1 3456 1 1 3199 1 1 1 1 1372 1 1 1 1 2011 1 1 1 1728 1 1 2969 1325 1306 2409 1 1 1 1 1 1 3172 1 1 1 1 1 1 1 1379 1 1428 1 1 2350 1 1 1 1 2190 1 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0317 *114.0319* 114.0319@2.7212224 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0319 *114.032* 3-oxo-4-pentenoic acid 3608 3249 5907 5874 1 1 7387 7183 3729 1 4251 4723 4850 4645 4735 5077 2181 2529 1 6096 3280 3251 2064 1817 3986 4062 6427 5975 3130 2758 1 4326 6334 1 2821 3313 4952 4959 3961 3723 5894 6189 4896 4533 5083 5051 48622 1 7833 6412 3293 3234 8352 8982 5861 5668 9828 9942 2886 3130 7490 1 4909 4918 18488 1 22001 21975 5809 5256 4162 1 6877 7147 7693 8912 4591 4233 3223 3194 3793 4274 5705 5115 2129 2803 3876 4406 4610 4148 114.032 *114.0321* 114.0321@2.3042026 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 1635 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1 1 114.0321 *114.0372* 114.0372@2.0357423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 4834 1842 1 1 1 1 1 1 1 1 1 1 114.0372 *114.0379* 114.0379@1.3032306 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0379 *114.0429* 114.0429@3.4745588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2850 2777 1 1 1 1 114.0429 *114.0437* 114.0437@1.9439714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 1 2979 1 1 1 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1555 1 1 1 1994 2076 1 1 1 1 1 1 1 1567 1465 1 1 1 1 1 1 2258 1 2143 1 1088 1607 1 1 1 1 1 1 1 1 1 1 1 1355 1 1144 1 1275 1 1 1791 2127 1 1 1 1 1240 114.0437 *114.0441* 114.0441@1.4589226 1 1 1 1 1 1 1946 1 1 1 1957 2972 1 2138 1 1 1 1113 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1727 1 1 2478 3082 4096 4362 1 1 1 1 3562 2036 3352 2686 1 2105 1 1 1668 2871 2200 2453 1150 2661 1 1 1966 1 1799 3691 12163 9402 1 3365 1 1 1 1 1 1500 1296 1 1 2325 1 2282 1 1 1 2462 2021 1 1 1 114.0441 *114.0441* 114.0441@1.5276812 1 1 1 1 4969 1 1 1 1 1 1 1 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 6146 6511 1 1 1 1 5534 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 2211 2668 1648 1130 4409 2837 2817 1 1 1 1 1640 2278 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1 114.0441 *114.0441* 114.0441@6.947598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1106 1149 1 1 1 1 1 1 1 1 114.0441 *114.0448* 114.0448@1.8713462 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 2926 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 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1 1 1 1 1 1 1 1 1 1 1 114.0448 *114.0452* C9 H6 + 1.8945185 1 1915 1 1632 1825 1 2064 2150 2285 1717 2040 1599 1547 1 1 2131 2077 1869 3137 1117 3102 1 1 2366 1 1 3328 1492 1450 3600 3305 3472 1 1709 2126 1371 2780 3190 1235 1493 2535 3224 1 1 3708 1762 1519 1831 2264 2730 1 1 1 1 2508 2407 1 1638 1 1 1 1 2457 2248 2556 1 1555 1307 1 2363 1974 1677 1 1231 1955 1508 1 1 4548 1176 1 3080 1 1 1403 3675 1 1872 2087 1 114.0452 *114.0469* C9 H6 2608 2299 1 2370 1671 1820 2583 2029 1953 2153 2453 3533 3042 1 2289 2544 1974 3114 4687 1 1 4628 1 2330 1313 2083 1 1518 3162 3061 1 1 1 1 1 1 1 1 1 1 2312 2214 1902 2329 3155 1318 1 3112 3837 2548 1 2086 1 1 1799 2440 2968 2142 1558 1 1 2365 1 1 1 1 1 6285 1 1 1 3472 1 1634 2224 1 1 1 7685 8180 1 1337 1 1 1 4105 4801 4152 2008 1 114.0469 *114.0481* 114.0481@2.1498318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5430 1 1 1 1 1 1 1 1 1 1 1 114.0481 *114.0485* 114.0485@1.3506731 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 2463 1 1 2088 1 1 1 1 1 1 1 1 1995 3463 3382 1150 2397 2457 3428 3115 3396 2223 3191 1330 3123 1 2699 3077 2990 3071 2797 1 1 1 1 1 3413 1 1 1 1 1 1 1893 1 2268 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0485 *114.0522* 114.0522@1.3524685 1 1 2504 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 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0522 *114.0561* 114.0561@1.3458612 1 2753 1 3402 1 1 1 1 1728 2472 1 1221 1 1 2666 2708 2164 1 1 1 1 2069 2384 1 2514 1916 1 1 1 1 1 2721 2591 1 1 1 1 1 3126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 3083 2870 1 1 1 1668 1567 1 3232 2401 1 1 2784 1 1 1 2567 1 2118 1 1 1 1997 2509 2337 1 1070 2373 2886 1 2237 114.0561 *114.06* 114.06@1.3685524 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.06 *114.061* 114.061@1.329135 1 1 1 1 1 1 1 1159 1 1 1 1296 1779 1012 1 1 1 1638 2824 1737 3170 1 1 1 1 1 1 1 1 1 1 1 1 2667 3225 3271 2715 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 1 1 1 1 1365 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 1 1 1 1 2228 1 114.061 *114.0624* 114.0624@4.2464666 3193 1 1 1 1 1 1268 1 1 1 1 1 4082 1 1 1 4894 1 1 1 1 1 1 6239 1 1 1 1456 1 1 1 1 1 1 1 1 1 1 1818 1 1175 1168 1 1 1 1 2570 1 1 1573 1 1 4194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1273 1 5067 1 1 1 1 1 1 1 114.0624 *114.064* 114.064@4.237147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.064 *114.0651* 114.0651@1.3204142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0651 *114.0656* 114.0656@1.205106 1424 1 1 1 3731 1 1 1 1414 1444 2699 1 1 1 1 2162 1 1290 1 1 1481 2203 1807 2334 1 1525 2424 1456 1 1403 1 2234 1 1 1 1 1 1 1 1531 1 1 1 1 1294 1832 1870 1 1079 2380 2932 2265 2471 4671 1 1652 1 1163 1446 2377 1 1 1 1 1 1123 1 1 1101 1 1 1 1424 1 1730 2611 1 1138 3623 5544 1 1159 1 1067 1 1200 1533 1 1 1588 114.0656 *114.0671* 114.0671@1.1435184 1569 1 1 1349 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0671 *114.0674* 114.0674@1.1242937 1359 1 1439 1077 1 1565 1166 1 1 1 1 1933 1 1301 1 1 1 1 1 1 1 1 1 1 3515 3395 1 2326 1 1 1 1 1879 1 1 1 1 1 2625 1 1 1 1152 1254 1 1 1 1 1 1 1 1 1 1 2975 3016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1889 1 1 1 1 1 1 1 1 1 1 114.0674 *114.0702* 114.0702@1.2046828 1 1 1205 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0702 *114.0712* 114.0712@1.8722786 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0712 *114.0754* 114.0754@1.888793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0754 *114.0759* 114.0759@1.831646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4936 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 1 114.0759 *114.076* 114.076@2.568983 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 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.076 *114.0766* 114.0766@1.4927902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 2147 1 2850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0766 *114.0776* 114.0776@1.4781011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1 1 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 1 114.0776 *114.079* 114.079@5.8499603 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2838 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 1 1 4553 4233 3856 3264 3427 1 6284 6487 1 1 4373 1 1 1 1 1 1 3927 2868 1 5036 5160 1 2966 1 3221 3514 4174 1 1 114.079 *114.0821* 114.0821@1.52022 1 1 1 1 3871 1542 1 1 1 2854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4863 1 4753 1 1 1 1 3471 1 2732 1 1 2238 1539 1 7845 1 1 1 1 1 1 1 1 1 1 1 1 1768 1 2272 3303 2482 1 1 1 4682 1 2634 2477 1976 1 8295 1 1 1 1 1 3400 1 10171 1 1 1 4654 1 3013 1 1347 2071 1 1 1487 2551 1 1 114.0821 *114.0861* 114.0861@1.5221632 1 1 1 1 1 3517 1 4417 1 1 1 1 1 1 1 1 1 1 1 7248 1 1 8032 6381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 6646 1 1 1 1 1 1 1642 1 1 114.0861 *114.0976* 114.0976@1.12714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0976 *114.1151* 114.1151@3.3969147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.1151 *114.1505* 114.1505@4.043238 18530 19080 21448 20819 15364 1244 19792 19480 19699 19513 23362 23615 19112 17573 20585 17322 19363 18608 25509 23513 18008 19281 22032 22537 15577 17206 18463 19913 17191 17742 20536 19824 19565 22029 1 20656 24111 23864 25513 23067 21056 23533 19283 18777 19463 17393 22074 21177 17204 19868 19386 20601 22278 23382 19793 18819 14020 17034 24339 22711 27742 28031 22884 26820 17985 20195 29391 28489 22753 24118 27803 27236 16034 14978 18067 19501 25442 25799 22592 21747 27557 25494 22707 22340 25741 28187 20033 22779 24646 26900 114.1505 *114.9067* 114.9067@4.03862 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 1 1 1 1 1 1 1 1452 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 2166 1 114.9067 *114.9129* 114.9129@4.043666 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9129 *114.9175* 114.9175@4.0437365 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9175 *114.9188* 114.9188@4.046576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1705 1 2310 1 1 1 1 1760 1 1 1 1 1 1 1 1 1 1754 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9188 *114.9282* 114.9282@4.046079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2423 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 1 114.9282 *114.9322* 114.9322@4.045919 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9322 *114.9374* 114.9374@4.0452857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9374 *114.9455* 114.9455@4.0475693 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 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 1 114.9455 *114.9471* 114.9471@4.0223885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9471 *114.949* 114.949@4.0356874 1 1 1 1 1 1 1 1 1 1017 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 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.949 *114.9572* 114.9572@4.0471406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1247 1 1 1 1 1 1 2059 1 1588 1 1693 1 1 1 1 1 1 1 1 114.9572 *114.9639* 114.9639@4.0531697 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9639 *114.9687* 114.9687@4.0326185 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9687 *114.9729* 114.9729@4.0359507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1106 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 1 114.9729 *114.9776* 114.9776@4.040446 1 1 1 1 1 1 1 1 1 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 2168 1 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9776 *114.9882* 114.9882@4.034893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 114.9882 *114.9921* 114.9921@4.038437 1 1 1026 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1837 1 1 1 1 1 1036 1 1 1519 1 1029 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114.9921 *115.0001* 115.0001@4.0569687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0001 *115.0395* 115.0395@5.4683385 1 1 1 1 9271 7724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0395 *115.041* 115.041@6.691647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.041 *115.0562* 115.0562@2.4123204 1 1 1 1 1 1 1 1 1 1 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 1685 1 1 1 1 1 1 1 2428 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 1476 1 1 1 2678 1 1 3428 1 1 1 2418 1 4539 115.0562 *115.057* 115.057@1.2117634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.057 *115.0621* C5 H9 N O2 7477 6967 7445 6759 4298 3384 11718 11516 9974 9528 11936 14057 3952 4021 1 1 14094 13042 10547 10065 13603 14583 1 1 6835 6651 16608 17289 3372 3754 6743 7697 7837 7764 9075 8100 63451 60779 6483 6518 8050 6473 1 1 44144 42477 1 2050 4749 4410 22459 21738 25634 26581 7823 7360 6433 7454 4456 4042 23591 22108 10138 9662 46343 47216 12923 14364 11626 10645 20471 20055 29118 28569 13683 13413 1331 2821 15527 15244 1 1 8569 8493 1 1 21117 22437 4569 4585 115.0621 *115.0625* 115.0625@2.0395017 1 1 1 1 2345 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0625 *115.0627* 115.0627@4.016225 1 1 1 1 1 1 2822 2538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3072 1 1 1185 1 1 1 1 1365 1 1 1 1 1 1359 1 1 1028 1 1 1 1 1 1 1577 1297 1 1 1 1207 1 1 1 1451 1 1 1 1 1 1 1 1 1 3675 1 1 1 1 1649 1136 1 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 115.0627 *115.0627* 115.0627@2.408981 5133 4395 1 1 4480 3641 1 3636 1 1 3854 3323 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1901 4909 2639 1 1 1 1 1 1 2238 2784 1 2309 1 1 1 1 1 1 1 1 3016 1 1 1 1 1 1 1 1 1 1 6103 1 1 1 1 1 1 2787 3411 5823 5011 1 1 1 1 6621 20623 1 1 1 1 1 1 1 1 1 1 1 1 2946 1 115.0627 *115.0629* 115.0629@2.3688254 1 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21009 5265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0629 *115.063* 115.063@1.370472 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.063 *115.0631* 115.0631@1.7482266 4279 1 1 1 4637 1248 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 2008 1 1 1 1443 5336 1 1 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 2050 1 1 1 1 1 1 1 1 1 1 1 1 7071 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 14662 14012 1 1 1 1 1 1 2403 2958 1 1 1 1 1 1 115.0631 *115.0633* D-Proline 1789 1861 1735 1843 1 1371 1099 2217 1755 2037 1 1579 1368 1637 2894 3636 1242 1 1789 1 2142 1926 3144 3089 1981 1 1854 1348 1561 2167 1 1227 1 1 1 1204 1099 1 1354 2101 1376 1454 1467 1783 1420 1 1 1444 1263 1305 1 1288 1 1601 1240 1 1 1 1671 1810 1067 1 1 1389 1323 1332 1 1240 1542 1 1399 1 1 1294 1 1876 1140 1 2470 1356 1 1033 1332 1410 1793 1560 1307 1 1 1 HMDB03411 115.0633 *115.0633* D-Proline + 1.2886649 4993 4137 3833 3942 4290 1987 5181 3969 2262 4579 2636 4762 3886 1 1 4517 4739 3424 5345 4063 4344 5908 3205 5045 6461 5868 6090 4722 4989 4954 2448 2357 1576 7179 3075 2324 3132 3365 4051 2435 4082 1 3820 2853 2350 2094 3162 4002 4179 1 3122 3796 2162 3037 1062 2030 1374 1 1809 3942 2556 2421 4676 6072 2275 2766 4912 2192 1 3745 1 1 1 3839 1 4405 3425 3768 2665 2321 5789 2065 1 1 1 3406 3024 4637 3315 4591 HMDB03411 115.0633 *115.0633* 115.0633@1.6792078 1 3895 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 3158 1 1 1 1 1 4426 1 1 1 3909 1 1 1 1 1 1 1 1 1 2158 1965 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 4990 1 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0633 *115.0634* 115.0634@2.9201388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3184 1 1 1 1 1 1 1 1 1 1 115.0634 *115.0635* Proline 4106 3230 1 1 6937 5674 2254 1 1709 1867 3956 1161 1 1 1094 1 1 1 3580 4494 2698 4147 1 1 1510 5314 1137 2216 3167 3786 1 1 3826 4565 2273 1 1243 1593 1577 2132 3810 1625 1 1 1 1 3368 2637 1 1 1 1822 2101 1683 1 1 1 1924 7647 2563 3684 1805 1 1621 2967 1550 8166 1333 4703 1183 1 1 1 1 11112 12873 1924 1108 5709 6348 4316 1 1689 3673 1 1 1326 3800 1699 1 HMDB00162 C00148 115.0635 *115.0638* 115.0638@1.3172355 1 1 1 1 1 1430 1 1144 1 1 1053 1 1 3071 4628 1 1 1717 1 1 1259 1 1485 1 1 1956 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1632 1 1 1 1 1 1904 1 1 1375 3708 1 1 2809 1 1 1817 1 1 1 1 1 1 2214 1 1 2829 3020 1 1 1 1 1 1338 1 1374 1 1 1 1 3313 1 1 1 1 1 115.0638 *115.064* Proline + 6.318923 1 1 1026 1 1 1 3453 2636 1 1 2755 3045 1 1 1213 1 3241 3682 3217 3639 1 1409 1 1 2730 3040 1 1363 1 1 1 1 1 1 1 1 2943 2256 1 1 1054 1 1981 1939 1 1 1091 1171 1 1 1871 1599 2903 3137 1601 1 1 1 1706 1 4925 4815 1 1 5194 5927 1 2714 5893 5591 7088 7283 3044 1519 1537 1461 3897 3558 14571 12500 2050 1895 2837 2016 3712 3401 7767 8213 2704 2281 HMDB00162 C00148 115.064 *115.0643* 115.0643@6.339631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0643 *115.0672* 115.0672@1.2151244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 115.0672 *115.0688* 115.0688@6.3247848 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0688 *115.0914* 115.0914@1.212294 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0914 *115.0948* 115.0948@1.2114012 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 115.0948 *115.097* 115.097@3.9781456 1 1 1 1 1465 1 1 1 1 1 2114 1 1 1 3778 2891 1 1 1 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1665 1 1 1 1 1 1 1 2642 1 1 1 1 1 1 1 1 2122 1 1788 1 1362 1 1 1 1 2363 1 1 2342 1 2670 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 3094 1 1156 1 1705 115.097 *115.0979* 115.0979@3.9099226 1 1 1558 1 2826 1 1 1 1 1 1621 1 1 1 2900 4207 1 1769 1 2485 1 1 1 1 1 1128 1 1591 1824 2322 1 1 1 1 2288 2646 1 1 1168 1 1 1 1905 1 1 1 1274 1 1 1 1 1 1 1 1 1692 1 1611 1 1164 1 1 1 3342 1885 3845 1580 1804 1576 2782 1 1 1 1 1890 4227 1 1 1 1045 1 3238 1 1085 1113 3049 1 1199 1 2309 115.0979 *115.0982* 115.0982@3.9131966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 115.0982 *115.0988* 115.0988@3.915654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1203 1 1557 115.0988 *115.0991* C6 H13 N O + 4.770565 1 1 2693 2256 1103 2935 1425 1960 4614 1534 1 1 1976 1190 1455 1 1 2294 1858 1 1 2069 1 1 1354 1484 2266 1 1427 1410 1754 1 1 1340 3269 1 1 1189 2451 1 1188 1 1 1 2628 3331 2125 1169 1763 1448 1809 1901 1266 3735 1006 1491 1419 1557 1980 1123 2935 2192 2769 7304 1 1193 1392 1 2704 1 1594 2623 1362 1402 1 2221 1560 1427 1 1 1502 2125 1300 2207 1 1036 2590 1394 1 2064 115.0991 *115.0991* 115.0991@5.7643394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0991 *115.0992* C6 H13 N O + 4.5605497 1 1 1 1735 1492 1845 1164 1 1 1243 2799 1 1 1326 1 1 1116 1 1119 1528 1082 1 1 1 1265 1496 2355 1 1 1 1 1 1 1051 1599 1 1676 1 3075 1 1521 1 1109 2664 1 1829 1845 3748 1548 1039 1284 1931 1 1750 2525 1904 1752 1422 2709 2498 3962 1 1884 1 1 1918 1738 1273 1926 1384 1515 1 1 1346 1 1395 2669 2431 4526 1 1300 1 1423 1134 1 1 1728 1 1074 1 115.0992 *115.0992* 115.0992@4.83535 1 1 1 1 1280 1 1197 1 1 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 2500 2187 1 1 1 1 1 1 1 1 1 1 1 1 5799 1 1 1 1 1 1 1 1909 1925 1 1668 1019 1 1 3033 1 1 1 1 1293 1 1 1 6893 1 1 1 1178 1 1 1 4156 1 1 1 1 3821 1420 1639 1 1 3427 1 1172 1 1 2318 1 1 1 5252 115.0992 *115.0992* 115.0992@4.5827622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0992 *115.0992* 115.0992@5.54813 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0992 *115.0993* C6 H13 N O 4512 4930 5008 4585 3002 1330 4615 3717 1135 5166 4748 5258 3190 4034 2930 3588 6066 5727 4889 5069 3470 3787 3733 3576 1047 1112 5487 5008 3291 2785 3209 2889 2895 2925 5352 4707 4968 5383 1619 5558 5242 5968 3089 3721 1605 2221 3876 5651 3105 2824 4970 4203 5060 5288 5728 5508 4981 3455 4034 4267 8798 8030 1483 2529 5506 5933 6672 6177 4665 4147 1311 4987 4964 4870 2280 3106 5809 5293 6079 5030 6001 7225 6922 5600 4252 3074 5005 4703 3692 3109 115.0993 *115.0995* 3-hexenal 2440 2069 1 2001 2820 1 1355 1 1 3431 3032 1 1 1 1891 1582 1 1 1 1 1 2073 2334 1 1450 1597 1364 1 1 1 2771 1 1 1 2271 1 3114 1950 1400 1 1 2543 1 3770 3312 1 3282 1826 1 1490 1 2348 1 1 3130 2499 3179 1907 2689 3872 6167 5388 1401 3399 5559 4622 1 2171 1 2764 1 4290 4699 5169 5013 6221 1685 1888 1654 1 6027 4812 2547 2075 1 1 1 1 3611 3574 115.0995 *115.0996* 115.0996@5.5179787 2923 1 2778 1 1016 1083 1 1 1 1512 1132 1180 2004 1760 2023 1 2089 1 1 2193 1 2199 1 1 1871 1 1 2324 1849 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115.0996 *115.1108* 115.1108@4.782092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301772 302155 1 1 1 1 1 1 1 1 1 1 115.1108 *116.041* 116.041@4.2227516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2295 1 1 1 1 1 1 1 1 1 1 1 1 116.041 *116.0462* 116.0462@1.2202158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5446 4466 1 1 1 1 1 1 1 1 1 1 116.0462 *116.0471* 2-Oxovaleric acid + 2.51439 12585 12773 15489 16264 10728 10597 17334 17009 13895 14770 13782 14104 13194 11965 12852 14058 12742 12097 20008 21136 11804 11851 16607 17782 10109 9098 11200 10183 13004 3479 14600 12672 14590 12392 15515 17625 27186 26025 20495 18190 18200 20363 15095 15118 8064 14519 17534 19739 13133 12859 21402 21322 22279 22174 13651 13643 11210 10479 21010 22926 34168 34667 24624 25217 13679 13289 11495 12074 18671 17304 34044 33435 12746 12439 14378 14272 26511 24760 22281 21691 26220 26098 20474 19311 34409 36048 20858 21569 28471 28275 116.0471 *116.0472* 2-Oxovaleric acid 2851 2732 1551 3416 3372 3144 4154 4181 3100 2492 3913 3465 2776 2195 2041 2344 2221 2594 2880 2693 2917 3174 3520 3109 3155 3025 3417 3849 2990 2762 3388 3295 3014 3076 3571 2584 4174 4089 4282 3876 4169 3224 4048 4321 1939 1 4026 3922 2034 2498 3477 3639 3261 3503 3148 2657 2904 3130 3651 3370 5923 5101 3648 3103 4271 3823 2933 3307 3881 4057 5772 5199 3187 3499 3643 3830 5335 4723 5537 6210 4612 5362 3580 3562 5399 5826 4183 4329 6207 6200 116.0472 *116.0472* 116.0472@2.4720776 1 1 2307 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1 1329 1 1 1 1 1 1 1 1 1 1 6994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0472 *116.0508* 116.0508@1.4881718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1637 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1050 1 1 1 1 1 1 1 116.0508 *116.0578* 116.0578@2.9731193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5491 1 1 1 1 1 1 1 1 1 1 116.0578 *116.0631* 116.0631@1.2070384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71124 19450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0631 *116.0655* 116.0655@1.22923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0655 *116.0827* C6 H12 O2 3308 3679 4690 3648 3155 3267 4219 3995 3518 2842 3262 3374 5321 4962 3852 3389 2731 3178 3443 3355 3350 3687 3843 3756 3583 3689 3533 4044 3408 3173 3132 3169 3243 3663 2645 2996 2643 3037 2950 2407 2546 3043 2817 2583 2561 2297 2772 4247 2321 2873 2961 2911 3657 3657 2585 2789 3857 2805 3258 3264 2471 3096 2634 2340 2947 3070 3268 2382 2638 2644 1908 1897 2709 2896 3132 3137 2742 2874 4259 4076 3093 2318 2687 2398 2773 3275 2845 2711 2509 2578 116.0827 *116.0829* 116.0829@1.3364259 1 1 1 1 1832 1 1 1 1 1 1 2870 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6153 2649 1 1 1 1 1 6429 1 4588 1 1 1 1 1 1 2879 1 1 1640 1 1 1 1 1 1 1 1 2693 1 1 1 1 1 1 1 1 1 10464 9373 116.0829 *116.0832* n-Hexanoic Acid 9995 9460 8507 8379 8897 8377 9080 8848 9361 8517 18276 20426 10184 10151 8400 10090 7931 7534 8419 8369 8878 8970 8313 8212 10890 9936 9606 10505 9431 9387 5990 6497 8043 9135 8957 9442 7367 8161 7534 8431 6154 5858 7269 6609 6104 6774 5192 5933 6147 6735 36656 36719 6295 6768 5383 6218 5674 3753 22747 22013 1 1 12787 10203 6862 6335 10260 9895 7207 6503 4334 4437 6614 6105 6593 6191 5122 4716 16226 14323 5660 6842 5886 5916 6686 5845 6144 5759 52220 53299 C01585 116.0832 *116.0832* 116.0832@1.3653898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 116.0832 *117.0604* 117.0604@2.1993947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6222 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0604 *117.0671* 117.0671@2.1018004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0671 *117.0711* 117.0711@1.677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2600 1 1 1 1 1 1 1 1 1 1 117.0711 *117.0766* 117.0766@3.709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 117.0766 *117.0775* 117.0775@1.8468425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0775 *117.0776* 117.0776@1.7733101 1 1 1 1 1 1 1 9873 1 1 1 1 1 1 1 5436 10629 1 1 11038 1 6946 1 5227 1 1 1 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 4804 1 1 1 1 1 1 1 1 1 2966 1 1 1 1 1 1 117.0776 *117.0777* 117.0777@14.073811 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0777 *117.0777* 117.0777@13.461588 2987 1 1 1 1419 1 1 1 3898 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 117.0777 *117.0778* 117.0778@13.19792 1 3831 1 3830 1728 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 3839 1 1 3192 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.0778 *117.0779* 117.0779@6.742069 1 15660 1 1 7471 5645 3961 1 1 1 1 1 1 6005 1 1 1 5252 1 1 1 1 1 7059 1 1 1 1 3797 3570 6048 1 1 1 1 1 1 4056 4353 4834 1 1 1 6488 1 1 1 1 1 1 203043 1 1 1 1 24764 1 1 1 1 1 1 1 1 1 1 1 7943 4786 1 1 1 1 1 4875 1 10053 5471 1 1 1 1 1 1 1 1 25654 6884 9606 1 117.0779 *117.0779* 117.0779@11.178553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 117.0779 *117.078* 117.078@6.6768713 1 1 1 1 4013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9526 9794 1 1 117.078 *117.0781* 117.0781@1.5249153 1 1 1 3561 1 1 1 1 6177 1838 1 5311 1 4670 1 9577 1 1 5522 1 1 7302 1 6192 1 1 1 3603 1 1 10304 1 12563 4399 1 3433 1 1 1 6449 1 1446 4305 1 18456 16121 1 6786 1 8521 1 2133 1 1 7872 1 7808 7662 1 2614 8482 8207 6529 2911 1 1 1 1 1 8623 1 5463 4440 7299 2929 1 1 1 1 1 1 1 11543 4080 1 1 1 1 1 3866 117.0781 *117.0781* 117.0781@6.3729935 1 1 1 1 3333 1 1 1 1 16780 1 1 9835 1 1 1 4340 1 1 1 25356 1 9617 9244 1 1 22282 1 1 1 11123 1 1 15316 7239 9464 1 5262 8987 1 8755 1 7620 14092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4811 1 12069 1 1 10892 9739 9394 8704 1 14030 8251 8372 7825 1 9552 12662 11086 1 1 1 1 1 1 8623 8277 16517 22954 1 6296 117.0781 *117.0785* isoamyl nitrite + 1.4061962 19708 13794 16853 12981 11998 1 16253 16482 10837 17176 1 16230 13379 13089 20886 11184 15499 17353 9320 12663 17209 12791 17980 9870 19979 16599 18918 11153 21126 20275 7607 6433 1 1 8164 8391 8739 8837 13560 6375 8536 6551 9231 7676 9379 9799 5699 6239 10656 1 7341 7190 1 6932 13385 10596 1 10602 7011 7884 1 1 1 9101 7972 8144 9595 11942 7865 1 5994 1 1 1 1 9052 1 3420 1 1 1 1 1 3829 4408 1 7998 8541 1 4827 HMDB02786 117.0785 *117.0786* isoamyl nitrite 2336 15341 17335 17688 9817 20243 5494 7522 3771 1299 17753 3966 13931 14966 16949 8604 2053 13798 11956 3026 12412 1534 1 1860 1 15282 16631 17391 15137 14927 2183 9313 18255 15770 17140 4890 29290 31982 23085 1 22582 7872 11155 15062 14478 15980 25489 4383 16756 16708 17655 6573 21905 20003 12603 2408 2760 3148 1 1 20206 13608 22312 20893 28490 28706 17173 17256 20100 17578 19105 19739 1 3195 15961 14547 1 1 2887 1477 1 1 1 1 17474 17325 14682 16559 14435 12979 HMDB02786 117.0786 *117.0787* Valine 13092 1387 8866 8480 19527 8576 17691 6345 12616 15776 7752 19370 4923 5296 9037 12521 12674 12626 12916 11955 3957 13010 15731 11816 13208 1968 14643 13950 13327 13550 9799 10963 13591 13306 6599 15125 9302 10045 1363 20878 1605 23223 2626 2882 8244 5177 11477 25095 21731 21890 16535 12724 10132 10837 5972 19619 17078 17575 13268 16292 8279 5467 28054 24715 11438 12066 23112 22875 15833 14842 15140 17763 14596 12583 18548 15712 14025 15574 13121 16449 18455 21172 67150 66466 7068 11248 10890 11849 23638 23675 C00183 117.0787 *117.0799* Valine + 6.607372 205438 187989 275445 271900 143138 157304 252103 256625 249439 252652 319625 306925 184238 188835 222423 198918 236267 224022 300222 297187 162375 180007 137939 136076 251184 250725 331425 328253 136544 127754 167414 147079 206588 207015 167292 159442 278949 280339 310827 306444 315969 315902 247557 236933 168680 180982 190518 207923 165863 158651 5395 205275 215161 219743 195754 186930 206064 190972 173099 178518 518110 488700 197932 214954 298099 307650 199395 202207 281960 290134 491853 512912 215111 222385 224962 263110 509555 517269 1180655 1199728 334170 340334 425377 430736 340740 325238 512815 552047 199459 203629 C00183 117.0799 *117.1091* 117.1091@1.820168 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1091 *117.1096* 117.1096@6.6145983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38652 1 1 1 1 1 1 1 1 38617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1096 *117.1102* 117.1102@1.832313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9130 3424 1 1 1 8347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1102 *117.1145* 117.1145@0.61707526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9624 1 1 5176 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 1 117.1145 *117.115* 117.115@5.5780196 1 1 1 1 1 1 1 1 1 1 23619 1 16889 1 1 1 1 1 1 1 1 1 1 1 42023 16136 1 1 1 1 1 1 1 1 44322 1 13341 1 1 1 1 1 1 1 1 1 17565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14783 1 1 6557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.115 *117.115* 117.115@5.865174 1 1 1 1 1 1 1 1 1 1 1 1 8419 1 1 1 1 1 1 1 1 1 1 1 1 8505 1 1 1 1 1 1 1 1 9852 1 1 1 14973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40845 1 1 1 1 1 1 11333 1 1 25871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.115 *117.115* 117.115@5.9486504 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.115 *117.1151* 117.1151@5.7052712 1 1 1 1 1 1 1 1 1 1 12271 1 5084 1 1 1 1 1 1 1 1 1 1 1 1 11646 1 1 1 1 1 1 1 1 1 1 1 1 8802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10131 1 1 9721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1151 *117.1151* 117.1151@6.0466886 1 1 1 1 17035 1 1 1 1 1 6419 1 12250 1 1 1 1 1 1 1 1 1 1 1 1 4725 1 1 1 1 1 1 1 1 7008 1 1 1 10195 1 1 1 1 1 1 1 12169 1 1 1 1 1 1 1 1 1 1 1 12478 1 1 1 1 1 1 7550 1 1 13336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1151 *117.1152* 117.1152@4.4190254 1 1 1 1 1 1 1 1 1 1 28228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21871 1 42495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1152 *117.1152* 117.1152@5.1267796 1 1 1 1 81988 1 1 1 1 1 62151 1 32597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12235 1 26804 1 13246 108545 1 1 1 1 1 1 109580 1 1 1 1 1 1 1 1 1 1 1 152163 1 1 1 1 1 1 111502 1 1 107015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1152 *117.1152* 117.1152@5.2989426 1 1 1 1 1 1 1 1 1 1 6474 1 32607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10662 1 15495 1 49186 1 1 1 1 1 1 1 66563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1152 *117.1153* 117.1153@4.6755414 1 1 1 1 53201 1 1 252248 1 231112 17700 1 242465 1 1 910445 1 237871 1 1 1 1 1 1 1 223483 1 1 80127 1 312479 1 1 1 133720 1 20764 1 231907 231078 1 1 1 1 1 1 38515 1 1 463739 512736 506929 452485 1 1 1 1 1 450523 440664 1 1 1 1 1 363520 1 1 39077 1 1 1 700476 1 1 1 1 375658 360741 348607 406036 1 409443 1 1 1 1 1 1 1 117.1153 *117.1153* 117.1153@4.69047 1 1 1 1 73244 1 1 1 1 1 222282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 93928 1 50249 1 1 1 1 1 1 1 1 1 490822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1153 *117.1153* 117.1153@4.4413495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.1153 *117.1157* C6 H15 N O 829625 543745 854207 865166 1048123 1116755 470553 478390 896693 897701 859157 859376 577739 589261 1055774 154008 239655 239060 494412 502557 718047 741083 401066 401179 603969 584195 888894 877708 771960 722471 127205 437362 619036 613071 394511 421448 480834 504158 609332 527574 439875 455361 823038 801034 512667 515160 231175 181609 1 123948 1160064 1171039 1255718 1205582 2805874 2773097 661174 692833 1291066 1304636 1148288 1160759 1132238 1139718 1648740 1648996 1476678 1470951 967432 992784 1058552 1063083 163633 882238 1073585 1090280 1000428 1095067 1294402 1293412 1040814 1025567 829672 831669 1403092 1408771 2092285 2122236 871489 848218 117.1157 *117.9094* 117.9094@4.9387355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 117.9094 *117.9346* 117.9346@4.9467554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117.9346 *117.9584* 117.9584@4.9564004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 117.9584 *117.979* 117.979@4.9467554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 117.979 *118.0268* 118.0268@1.3132145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1800 1 1 1 1 1 1 1 1 1 1 2162 2125 1 1 1 1 2971 3403 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0268 *118.0271* 118.0271@2.6763675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1129 1 118.0271 *118.0279* 118.0279@2.6612926 6112 6509 3886 3746 4730 4962 4811 5076 1 3498 6062 5409 3938 4778 6347 5918 5486 4891 5267 4808 4792 4224 7492 7352 3943 4220 2607 2716 4263 4762 4202 3793 3335 3921 5397 4099 6705 6422 7555 7310 6050 7078 2752 2522 4161 3688 5686 5668 5435 5940 3520 3637 6188 5942 7542 7468 3802 3221 7242 7070 6353 5890 5324 5747 4740 4487 6581 5819 4970 4253 5018 6096 4205 4599 2769 2678 2470 3330 8560 8540 4928 2662 4454 4693 6475 6044 2295 2699 3425 4710 118.0279 *118.0325* 118.0325@4.950765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.0325 *118.0479* 118.0479@1.681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 118.0479 *118.0527* 118.0527@1.4466499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0527 *118.0534* 118.0534@2.2018218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 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 1 118.0534 *118.0623* 118.0623@2.3031964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0623 *118.0726* 118.0726@1.2126296 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 1 1 1 1 1 1 1 1 118.0726 *118.0775* 118.0775@1.7861208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 118.0775 *118.0778* C9 H10 55617 57622 50759 51841 62518 62703 57304 56278 61434 62795 50285 50076 50806 50843 69559 71824 63118 64280 64991 64438 71379 71390 51067 50164 60911 61310 58138 57009 64961 62752 63699 61888 78744 81043 52044 51633 51125 50848 51505 49882 78769 75651 46766 47496 43732 43730 53893 54101 66079 64031 65730 67619 58349 57412 62913 63981 52072 51190 67003 66764 63381 63771 64977 61034 64867 66113 54046 54444 61626 59380 56814 57539 46570 46463 41967 39271 58900 57515 56616 54186 45254 45619 57991 59684 39939 40873 49526 51227 46258 46659 118.0778 *118.078* 118.078@1.2071062 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 5103 1 1 1 1 1 1 205084 200254 1 1 1 1 1 2960 1 1 2710 1 1 1 1 2809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.078 *118.0797* 118.0797@1.199562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.0797 *118.0808* 118.0808@6.6593995 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 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 1586 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1076 1 1 1 1 1 1 1 1 118.0808 *118.1127* 118.1127@6.6223593 1 1 1 1 1 3216 1 2165 2464 1 1 1883 1 1 1 1 1 2672 2055 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2974 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 4928 1 3660 6468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5029 1 1 1 1 1 1 1 1 1 1 118.1127 *118.1176* 118.1176@6.771556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1494 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 1978 1 1 1 118.1176 *118.1179* 118.1179@5.978003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1179 *118.118* 118.118@5.64879 4419 1 1 1 1 1 1 1 1 1612 1 2044 1 1 2432 2431 1 1459 1 1919 2190 1 2069 1 2340 1704 1 1110 1 2881 1862 1 1 1378 2098 1485 1811 1509 1 1679 1 1 1 4865 1 1 1 3682 1 1858 1 1 1255 1 1 1 4348 1750 4564 1 1 1785 1431 2827 1 2769 1 2513 1838 1 3084 1 1756 4108 1 1 1090 1 2316 2057 1744 1 1480 1 1 1 1 2638 2521 1 118.118 *118.1181* 118.1181@5.9156914 1 1 1 1 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 2215 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1386 1 1840 1230 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 1 118.1181 *118.1182* 118.1182@4.3766594 1 1 1 1 1 1 1 1 2889 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 4231 1 1545 1 1 1 1 1 1 1 1 1 3861 1 1 8239 1 1 1 1 1 1 1 1 3220 1 1 1 1 1 1 1 1 1 8446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1182 *118.1182* 118.1182@4.788766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8988 1 1 1 7028 1 1 1 1 10854 1 2466 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 1343 1 1 10323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1182 *118.1183* 118.1183@4.619641 1 1 1 1 1 1 7239 1 1 1 1 1 2393 1 1 1 1 1 1 1 8082 1 1 20214 1 1181 1 1 5947 9285 1 1 12762 1 1 1 8053 10072 1 1 14812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1183 *118.1183* 118.1183@5.338226 1 1 1 1 1 1 1 1 1 1 2416 1 1788 2474 1 1869 1 1 1 1083 2462 1 1 1 1047 1322 1 1 1 1 1 1 1 1 4231 1763 1119 1 2956 1 1 1 1 1 1 1 1 1073 1 5305 1 1 3481 1 1 1 1 1 7699 1 1 1 1 1 1 1913 1 1 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1183 *118.1183* 118.1183@5.1079154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1 1 1 1 1 1 1 1 1842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118.1183 *118.1183* 118.1183@5.012366 1 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 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 1 118.1183 *119.0148* 119.0148@2.6557946 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 1384 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1650 1 1 1360 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 1744 1 1 1 1 1 1 1 1 1 1 119.0148 *119.05* 119.05@3.909306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140439 108156 1 1 1 1 1 1 1 1 1 1 119.05 *119.0542* 119.0542@3.968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14728 1 1 1 1 1 1 1 1 1 1 119.0542 *119.0575* 119.0575@3.829859 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 2249 9469 1 1 1 1 2405 2732 1 1 1 1 1 1 2620 5291 1 1 1 1 1729 1 2744 1351 1 1 1 1 1 1 1 1 1 1 1 4441 1092 1 1 1 1 1 1 1 1 3614 1 1 1758 3171 7279 1 1 1 10089 1 1 1618 2102 1927 1 1 1743 1460 1 119.0575 *119.0576* D-Homoserine 1 1948 5715 1 1773 1 6419 1 1 1080 15209 1 7371 1627 1 1 10697 12393 1412 4570 1 1 1 1 1 1980 1279 1 1 1 1 1 3979 2335 1 1 1 1 6044 2558 1164 1 1 1 1 1756 6572 1085 3026 6237 1 1 7192 1 1390 6327 1 1 1 1 3058 1248 10484 11312 5361 9386 1 1 9193 4371 1344 1786 1 2716 2869 1820 5659 1 34370 38052 9676 1 1299 2869 1 6845 1 8899 1 3239 119.0576 *119.0577* 119.0577@3.9550915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 2649 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 5165 1 1 119.0577 *119.0616* 119.0616@6.4272275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 119.0616 *119.07* 119.07@2.177501 1 1 1 1 1 1 1 1 1 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 2968 1 1 1 1 8662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2052 2196 1 1 1 1 1 1 1 1 119.07 *119.0722* 119.0722@1.2237867 1 1 1 1 1 1 9751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0722 *119.0732* 119.0732@5.6603622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1 1 1 2334 1 1 1 1 1 1 1 1 1 1 1 1 1 11901 1 1 1 1 1 1 1 1 119.0732 *119.0734* C8 H9 N 12903 12774 4546 1 10007 10155 1 12113 10501 9654 1 1 12024 11720 1 13153 16929 2541 11662 3517 11327 11559 9141 9005 12884 13315 12369 12456 2294 1 13856 15051 1 12822 11377 11479 8446 7880 10961 10906 1 14021 11498 11180 9580 10084 10826 1 4296 11385 15066 14921 15244 1 11866 10992 1 13123 9330 9142 1 1 15091 13883 1 1 10872 8833 15554 15633 15030 15021 1 16843 1 16064 3737 1 10038 12952 13999 2514 1 1 13706 13276 1 1 12315 12446 119.0734 *119.0796* 119.0796@1.1254408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119.0796 *119.0826* 119.0826@5.7020164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 119.0826 *119.1208* 119.1208@4.9084754 1 1 1 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 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1651 1 1 119.1208 *119.1404* 119.1404@3.9126103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 119.1404 *120.0436* 120.0436@0.9409363 1 1 1 1 1 1 1 1 1 1 155812 1 148942 1 1 1 1 1 1 1 1 1 1 1 1 153098 1 1 1 1 1 1 1 1 86257 1 178956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132034 1 1 1 1 1 1 1 1 1 1017619 1490206 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.6229287 1 1 1 1 1 1 1 1 1 1 77292 1 405680 1 1 1 1 1 1 1 1 1 1 1 1 403064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492722 1 1 1 1 1 1 1 1 1 1121431 679092 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.6862125 1 1 1 1 1 1 1 1 1 1 306599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201434 1 1 1 1 1 1 1 1 375807 1 234747 1 552531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563657 1 1 1 1 1 1 611224 1 1 1 1 1 1 1 1 1 1 1 1 1602428 1806986 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.0477209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166441 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@1.1794225 1 1 1 1 318913 1 1 1 1 1 308488 1 339512 1 1 1 1 1 1 1 1 1 1 1 1 155376 1 1 1 1 1 1 1 1 253956 1 291560 1 305413 1 1 1 1 1 1 1 290583 1 1 359130 1 1 1 1 1 1 1 1 261645 1 593961 639578 1 1 1 287378 1 1 363245 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@1.3239391 1 1 1 1 890329 1 1 1 1 1 735140 1 1347029 1 1 1 1 1 1 1 1 1 1 1 1 162397 1 1 1 1 1 1 1 1 829102 1 594170 1 895680 1 1431970 1 1 1 1 1 862524 1 1 547981 939965 1 1 1 1 1 1 1 447250 1 1 1 1 1 1 1060633 1 1 567165 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@2.1570764 1 1 1 1 1 1 1 1 1 1 1 1 689710 1 1 1 1 1 1 1 1 1 1 1 1 891219 1 1 1 1 1 1 1 1 1 1 1 1 758149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049862 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@2.987928 1 1 1 1 559241 1 1 1 1 1 278076 1 229280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412714 1 336363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459179 1 1 1 1 1 1 302893 1 1 502221 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@5.6499925 1 1 1 1 497755 1 1 1 1 1 427914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407494 1 1 1 1 1 1 1 1 414857 1 377687 1 160699 1 1 1 1 1 1 1 426232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456405 1 1 460877 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@1.2927537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135226 1 1 1 1 1 1 1 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@4.156863 1 1 1 1 1 1 1 1 1 1 1 1 474563 1 1 1 1 1 1 1 1 370919 1 1 1 171733 1 1 1 1 1 1 1 1 548237 1 663846 1 612695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@1.8833928 1 1 1 1 1 1 1 1 1 1 171416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107035 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@3.0622756 1 1 1 1 790559 1 1 1 1 1 86735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436 *120.0436* 120.0436@5.77809 1 1 1 1 1 1 1 1 1 1 72542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83688 1 1 1 1 1 1 1 1 77553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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@4.2080894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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@0.62601393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330629 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@3.7308428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 *120.1353* 120.1353@1.3332587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20655 1 1 1 1 1 1 1 1 1 1 1 1 24745 1 1 1 1 1 1 1 1 13424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1353 *120.1354* 120.1354@1.2924182 1 1 56883 31094 44224 1 1 1 1 1 39684 1 65801 1 1 1 1 1 1 1 1 1 1 1 1 45551 1 1 1 1 1 1 1 1 41800 1 14196 1 43495 1 73020 72451 1 1 1 1 50427 1 1 10696 35078 1 29681 66719 1 1 1 1 10308 1 23204 23430 1 1 1 54461 1 1 53563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1354 *120.1354* 120.1354@0.9152489 1 1 1 1 1 1 1 1 1 1 1 1 5692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1354 *120.1354* 120.1354@1.1780539 1 1 1 1 13828 1 1 1 1 1 6783 1 16868 1 1 1 1 1 1 1 1 1 1 1 1 9375 1 1 1 1 1 1 1 1 1 1 12694 1 1 1 1 1 1 1 1 1 15466 1 1 15875 11461 1 42165 1 1 1 1 1 9427 1 1 1 1 1 1 14104 1 1 15430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1354 *120.1354* 120.1354@1.5224634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5280 1 1 1 1 1 1 1 1 1 1 1 6735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1354 *120.1354* 120.1354@4.1821036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1354 *120.1354* 120.1354@2.226884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1354 *120.1355* 120.1355@1.6318253 1 1 1 1 1 1 1 1 1 1 4197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9221 1 1 1 1 1 1 1 1 1 1 8057 1 28926 1 1 1 1 1 1 1 7065 1 1 1 22564 1 1 1 1 1 1 1 26394 1 1 1 1 1 1 30130 1 1 1 1 1 1 1 1 1 1 1 1 1 154977 1 1 1 1 1 1 1 1 1 1 120.1355 *120.1355* 120.1355@2.9485059 1 1 1 1 34420 1 1 1 1 1 21003 1 9118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43039 1 33519 1 54258 1 1 1 1 1 1 1 57504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19628 1 1 41865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1355 *120.1355* 120.1355@5.6294656 1 1 1 1 6293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5128 1 1 11733 1 1 1 1 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 3932 1 120.1355 *120.1356* 120.1356@0.70310986 1 1 1 1 1 1 1 1 1 1 22034 1 10322 1 1 1 1 1 1 1 1 1 1 1 1 9994 1 1 1 1 1 1 1 1 13965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8407 1 1 1 1 1 1 7302 1 1 1 1 1 1 1 1 1 1 1 1 1 16768 1 1 1 1 1 1 1 1 1 1 120.1356 *120.1356* 120.1356@4.1433887 1 1 18783 1 18351 1 1 1 1 1 1 1 19667 1 1 1 1 1 1 1 1 11187 17448 1 1 3143 1 1 1 1 1 1 1 1 1 1 1 9526 17975 1 1 1 1 1 1 1 9849 1 1 19932 13988 1 1 1 17156 1 19625 1 17885 19454 1 1 9311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20019 1 1 1 1 1 120.1356 *120.1357* 120.1357@3.584544 1 1 1 1 1 1 1 1 1 1 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 4550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1357 *120.1357* 120.1357@2.9997342 1 1 1 1 23789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1357 *120.1357* 120.1357@0.7627961 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1357 *120.1358* 120.1358@2.1193516 1 1 18611 26248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23567 1 1 1 1 1 1 1 1 22547 1 30005 1 1 1 1 1 1 1 1 1 1 16403 1 1 1 1 1 1 1 1 1 1 26035 1 1 1 1 1 1 10166 7452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1358 *120.1358* 120.1358@1.0429707 1 1 1 1 5592 1 1 1 1 1 1 1 7868 1 1 1 1 1 1 1 1 1 1 1 1 6442 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1358 *120.1361* 120.1361@2.7992609 1 1 1 1 2694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1361 *121.0456* 121.0456@0.78566337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25870 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 *121.0459* 121.0459@0.92432016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0459 *121.046* 121.046@1.9339433 1 1 1 1 8193 1 1 1 1 1 18232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.046 *121.046* 121.046@1.1749442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.046 *121.0462* 121.0462@1.8366376 1 1 1 1 11245 1 1 1 1 1 24442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28018 1 1 1 1 1 1 1 1 1 1 1 1 1 30934 1 1 1 1 1 1 1 15175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57693 1 1 1 1 1 1 1 1 1 1 121.0462 *121.0462* 121.0462@1.3314675 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 10731 1 1 1 1 1 1 1 1 20138 1 47548 1 16154 1 1 1 1 1 1 1 13182 1 1 11209 28805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0462 *121.0463* 121.0463@5.6063776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7163 1 1 6702 1 1 1 1 1 1 8313 1 1 1 1 1 1 1 1 1 1 1 12994 1 1 1 1 1 1 1 8225 1 1 1 1 16010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6920 1 1 1 1 1 1 1 1 1 1 1 1 15636 1 121.0463 *121.0463* 121.0463@1.2551099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17977 1 1 1 8466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0463 *121.0466* 121.0466@2.9949105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0466 *121.0468* 121.0468@2.2150319 1 1 1 1 1 1 1 1 1 1 1 1 25042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0468 *121.0472* 121.0472@4.1121097 1 1 12820 1 12280 1 1 1 1 1 10183 11753 1 1 1 1 1 1 15798 1 1 1 1 1 1 23134 1 1 1 1 1 1 1 1 1 1 32798 1 13447 1 1 1 1 1 1 1 1 1 1 14785 30753 1 1 1 1 1 1 1 24634 1 1 1 1 1 1 14240 1 14841 1 1 1 1 1 1 12585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0472 *121.0473* 121.0473@5.675889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0473 *121.0474* 121.0474@2.920194 1 1 1 1 17398 1 1 1 1 1 1 1 61039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30243 1 1 1 1 1 1 1 24601 1 1 1 1 1 1 27558 1 1 22423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0474 *121.0474* 121.0474@3.7861097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.0474 *121.048* 121.048@3.8591573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.048 *121.1379* 121.1379@1.3446238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 121.1379 *121.1382* 121.1382@12.683649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1382 *121.1384* 121.1384@3.0404346 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 121.1384 *121.139* 121.139@12.836857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.139 *121.1401* 121.1401@3.1984506 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1251 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121.1401 *121.9171* 121.9171@5.5607066 10833 10642 11417 10083 9874 9717 11184 10497 11010 10976 11387 11342 10562 10235 10506 11085 11497 11331 11790 11501 11331 10802 10320 10962 9510 9815 10805 11252 8916 8778 11123 12073 10938 10589 10976 11097 11121 11374 11881 11386 13508 13064 10673 11072 11379 11917 11059 11199 11661 12064 12985 13966 12340 12448 12390 11584 11442 11909 10518 11371 12934 12902 12517 11560 13874 13112 13057 12385 11431 11386 14405 14869 11715 11288 11994 12012 13077 14336 17868 17463 15253 14571 15260 15249 16201 16882 14895 15828 11436 11746 121.9171 *122.0468* 122.0468@1.9351604 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2858 3398 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 2289 2933 1 1 1 1 1 1 122.0468 *122.0482* Niacinamide 1637 1 1 1 43762 44919 1 1 15932 15469 1 6946 1 6363 2885 1 4828 1 1 1 1 1 11125 9067 5626 2952 7507 10324 11379 11189 1 4152 10920 9993 1 8202 3008 1 1 2041 1110 1 1496 5056 11574 9937 2169 1544 14165 13624 1 6412 7524 4982 8011 11290 4831 2371 2282 1 8716 10912 3519 1 1 1 1 1620 1 6283 6004 5339 10828 10522 10006 10510 1 7697 1 88146 7699 2869 21565 23973 1 1 6316 13447 1 2625 HMDB01406 C00153 122.0482 *122.0484* 122.0484@1.6423615 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 4674 1 1 1 1 1 1 1 1 1 2422 1 1 1 1 6438 1 1 1 122.0484 *122.0487* Niacinamide + 6.1205544 3517 4151 6062 5424 1 3269 4696 4104 4482 2854 3372 2061 3440 4035 1 3749 4270 4734 5041 5359 3243 3613 4208 4600 3384 3456 2689 3076 3033 3340 3157 2793 4911 4384 5217 4574 6313 6109 5097 5551 3292 2314 5015 4702 4193 4044 4635 5155 1 2215 6682 6650 5513 5268 3825 4605 2922 3682 5005 5061 6221 5417 3748 1 4729 4227 4540 4650 1 4274 8911 8564 1998 2850 3766 3867 7284 7247 5407 6153 7984 7083 6551 6435 8287 7417 3080 4486 7119 6906 HMDB01406 C00153 122.0487 *122.0488* 122.0488@0.6395403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 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 1 122.0488 *122.0488* 122.0488@13.06621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0488 *122.0491* 122.0491@3.0793471 1 1 3355 1007 1 1 1 1 1558 3387 1 1749 1 1 1 1 1 3167 1494 1 2317 1 1 3203 1 1 1 1 1 1 3888 1471 1 1593 1 1 3441 3810 1 1228 1457 2575 1 1 1217 1 1 1289 2623 1 1 1 1 1 1 1 1035 1 1 1 1 1730 1564 1007 1 1 1 1 1 1 1 1404 1 1 1 1 1 2792 1318 2802 1 1951 1 1 1449 1 1 1 1068 1 122.0491 *122.0491* 122.0491@1.6858705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2347 1 1 1 1 1 1 1 1 122.0491 *122.0495* 122.0495@6.1706514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0495 *122.0495* 122.0495@0.9485205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 122.0495 *122.0496* 122.0496@1.5485481 2639 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 1600 1197 1 1 1 1 1 1 3230 1 1 1 1 3908 1 1 1 1 1938 1 1 1 1 1 1 1 1 1 2069 2424 1 1 1 1 1 1 1 1 1 1 2114 1 1 1 1 3643 1 1 1 1 1067 122.0496 *122.0497* 122.0497@2.994278 1 1 1 1 1 1 1 1 1 2401 1 1 1 1 1 1 1 1 1 1 1 1 1136 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 4627 1 1 1 1 1 1 1 1 2503 1 1854 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1462 1 1205 1 2209 1 1 1291 1 1 1 1 1 122.0497 *122.0503* 122.0503@1.3320925 1 1 1 1 1 1 1 1 1 1 1 1 2858 1 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 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 1 1 1 1 1 1 1 1 1249 1 1 1 1 1830 1 1463 1 1 1231 122.0503 *122.0503* 122.0503@3.7086334 1 1 1 1 1 1 1031 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0503 *122.0506* 122.0506@3.5473387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0506 *122.0508* 122.0508@3.1961894 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1370 1 1 1 1 1 1162 1021 1 1 1 1294 1 1 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 3166 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 122.0508 *122.0511* 122.0511@1.5808394 1 1 1 1 1 1 1924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 1 1 1 1 1 1 1 1 1 1 122.0511 *122.0513* 122.0513@1.9222935 1 1 1 1 1 1 2683 1707 1 1 1 1 1 1 1 1379 1 1534 2135 1 1 1 1 1 1 1363 1 1542 1 1 1 1 1 1 1 1 1 1 1 1 2170 1893 1 1 1 1 1794 1 1 1 1 1363 1 1945 1 1 2129 1 1 1 2091 1957 1 1 3351 1 1 1565 1713 1 1489 1100 1811 1 1 1787 1 1 1 2043 1537 1227 1 1 1 1 1 1 1832 1865 122.0513 *122.0553* 122.0553@3.745364 1 1 1 1485 1 1720 1465 1082 1 1 1 1 1 1 1 1 1932 1 1 1 1454 1 1 1 2276 1174 1 1 1 1 1648 1 1 1 1 1182 1 1069 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1048 1 1347 1370 1 1 1 1 1 1 1 1 1 1 1673 1 1026 1 1 1813 1794 1 1 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 122.0553 *122.0593* 122.0593@3.7945328 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 122.0593 *122.0631* 122.0631@3.8585954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 122.0631 *122.0658* 122.0658@1.1785523 1 1 1 1 1 1243 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 2875 1 1 1 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 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0658 *122.0698* 122.0698@1.1699839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0698 *122.0716* 122.0716@4.340735 1 1 1 1 1 1 1 1 1 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 1676 2186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3539 3491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0716 *122.0984* 122.0984@1.1922249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.0984 *122.105* 122.105@1.1721919 1 1 1 1 1 1 1 1 1252 1 1 1 1658 1053 1 1 1 1 1133 1 1437 1502 1595 1 1226 1 1 1 1 1 1 1 1 1 1485 1056 2404 1 1204 1 1 2366 1 1114 1 2080 1 1 1793 1 1 1143 1 1 1 1747 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 122.105 *122.1055* 122.1055@1.152731 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 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 122.1055 *123.0181* 123.0181@6.870811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9287 6715 1871 2589 1 1 1 1 1 1 3685 3860 1 1 1 1 4879 1694 1 1 11891 10501 1 1 1 1720 12208 11177 6902 5472 8624 9115 6826 8506 10008 6794 6552 6636 2325 4461 123.0181 *123.0228* 123.0228@6.893965 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 123.0228 *123.034* 123.034@1.2217263 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.034 *123.0347* 123.0347@1.2160748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0347 *123.0349* 123.0349@1.2995138 1 1 1 1 1019 1295 1 1 1 1 1 1 1 1 1 1 1003 1124 1 1 2225 1837 1 1 1 1 1 2175 1 1 2855 3445 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3595 3645 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1765 4859 4162 1 1170 1 1 1 1 1 1153 1 1 2066 1 1 1 1 1 1 1 1 1 1 1321 123.0349 *123.0402* 123.0402@1.4316398 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0402 *123.0431* 123.0431@1.427658 1 1 1 1 1 1 1858 1 2817 3283 1 2114 7406 8455 1 1 1 1 1863 1 1 1 2656 2445 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 2106 1 2562 3717 1 1 1 1 1 1 1 1 1 1 5511 5076 1 1 1 1 1893 2880 1480 1 1 1 3823 3941 1 1 1 1 3044 3807 1 1 3612 3962 3323 4323 1 3533 1936 1 1 1 2565 2698 1 1 1 1 123.0431 *123.05* 123.05@1.4411892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 4248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.05 *123.072* 123.072@1.503509 1 1 1 1 17354 1 1 10804 1 1 1 7497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4910 1 1 5750 5945 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 2390 6664 1 1 6848 1 1 1 1 1 1 6332 1 1 1 1 1 1 1 1 1 1 123.072 *123.0738* 123.0738@1.5534422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0738 *123.0758* 123.0758@1.6005424 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 2487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 1 1 1 123.0758 *123.0783* C6 H9 N3 1 5078 4784 6078 7417 5337 4864 1 6200 1 5125 6275 1 5884 4060 4855 3895 4612 5269 5790 5370 3950 6275 4267 5567 3584 7476 1 4860 2975 4690 1 2715 3492 1 1 3708 1 4885 2784 1 5323 5370 1 1 3500 4053 1 5375 4579 4124 5078 1 4664 1 5087 5066 8299 1 4876 3579 5414 4928 4136 3801 1 5136 1 3536 1 5267 3343 1 1 1 3672 1 5194 1 1 4209 3805 3234 3726 4875 3412 1 4041 4414 4946 123.0783 *123.0786* 123.0786@4.9870625 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0786 *123.079* 123.079@3.1337974 1 1 1 1 1 1 1 1 1 1 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 2513 1 1 2441 1 1 1 1 1 1 1 1 2228 1 1 1 1 1 1 1 1 1 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.079 *123.079* 123.079@3.2877166 1 1 1 1 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 1 1 3953 1 1 1 1 1 1 1 1 4679 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 1 123.079 *123.079* 123.079@3.8572671 1 1 1 1 1 1 1 1 1 1 1 1 5080 1 1 1 1 1 1 1 1 1 1 1 1 2281 1 1 1 1 1 1 1 1 2097 1 1 1 2280 1 1 1 1 1 1 1 2662 1 1 2040 1 1 1 1 1 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 1 1 1 1 1 1 1 1 123.079 *123.079* 123.079@4.001466 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 4267 1 1 1 1 1 1 1 1 4543 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 1 123.079 *123.0791* 123.0791@3.6134913 1 1 1 1 1 1 1 1 1 1 3876 1 3058 1 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 1 1 1 1 1 1 4348 1 1 1 2435 1 1 1 1 1 1 1 2303 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 1 1 1 1 1 1 1 123.0791 *123.0792* 123.0792@4.343397 1 1 1 1 2883 1 1 1 1 1 2612 1 11828 1 1 1 1 1 1 1 1 1 14679 1 1 3015 1 1 1 1 1 9541 1 1 9749 1 4052 1 18684 1 1 1 1 5232 1 1 5656 1 1 25309 2200 1 1 1 1 1 1 1 8345 1 1 1 1 1 1 5086 6953 1 1959 1 13088 1 1 1 1 1 1 15365 17193 4238 1 1 11077 14524 14886 3438 1 1 8339 1 123.0792 *123.0792* 123.0792@3.7830114 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 2074 1 1 1 1 1 1 1 1 4600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0792 *123.0793* 123.0793@4.042406 1 1 1 1 2332 1 1 1 1 1 3668 1 2593 1 1 1 1 1 1 1 1 1 1 1 1 3710 1 1 1 1 1 1 1 1 3542 1 3462 1 18960 1 1 1 1 1 1 1 16163 1 1 6398 12151 1 1 1 1 1 1 1 2320 1 1 1 1 1 1 1 11393 1 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0793 *123.0793* 123.0793@4.2122703 1 1 1 1 1 1 1 1 1 1 20110 1 7290 1 1 1 1 1 1 1 1 1 1 1 1 11635 1 1 1 1 1 1 1 1 13258 1 19797 1 4456 1 1 1 1 1 1 1 2115 1 1 5994 1 1 1 1 1 1 1 1 5716 1 1 1 1 1 1 5607 7090 1 10676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0793 *123.0793* 123.0793@4.508844 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 1 1 1 1 1 1 1 1 1 3010 1 1 1 3165 1 1 1 1 1 1 1 17338 1 1 2592 1 1 1 1 1 1 1 1 12093 1 1 1 1 1 1 1 4584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0793 *123.0793* 123.0793@3.1818986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0793 *123.0795* 123.0795@4.3158455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 123.0795 *123.9151* 123.9151@5.561016 1487 1143 1392 1 1041 1439 1300 1501 1662 1202 1360 1394 1281 1634 1394 1274 1 1553 1204 1592 1411 1436 1500 1457 1 1536 1493 1188 1 1124 1487 1305 1 1482 1286 1745 1 1 1511 1538 1834 1865 1476 1631 1428 1442 1404 1902 1260 1428 1779 1752 1683 1 1435 1593 1473 1739 1732 1397 1805 1 1756 1719 1748 2083 1612 1675 1572 1651 1892 2007 1660 1906 1922 1 1990 2338 2495 2407 2128 1990 1952 1749 2393 2548 2066 2001 1557 1387 123.9151 *124.0006* 124.0006@6.441806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0006 *124.0189* 124.0189@6.8528194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 124.0189 *124.0274* Pyrazinoic acid 4966 5319 7737 7604 4934 5143 5959 6239 5715 5266 8240 8512 5013 4459 5485 6425 6109 5814 5393 8117 8510 7971 5072 4579 4238 4034 8754 7942 3905 4069 10532 11142 8375 8208 6355 6975 7635 7326 6914 6393 6138 6233 6558 6495 5507 5922 6693 6205 8256 8362 7071 7344 6936 7003 4777 4527 6457 6206 3908 4280 9460 9686 8049 8788 8005 8139 15351 15823 9260 8024 12505 12533 5173 1 8586 8173 7360 8153 7144 8204 9062 8550 7545 7422 11304 11136 10057 10484 7581 7336 124.0274 *124.0298* 124.0298@2.2187676 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0298 *124.063* 124.063@3.0577528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 124.063 *124.0653* 124.0653@1.8057342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 124.0653 *124.0653* 124.0653@1.3178685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5179 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0653 *124.0663* 124.0663@1.366123 1 1 1 1 1 1 1 1 1 1 3647 4408 2091 1376 1 1 1 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 1792 1 1 1 1192 1 1 1 1 1 1 3043 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 3684 3183 1767 9910 1 1 1 1 5712 4475 1 1 1228 1 1 1 1 1 1 1344 1 1 124.0663 *124.0667* 124.0667@1.7776369 1 1 1 1 1 1 1 1 1 1 1 1112 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1735 3143 1 1 1 1 1 1 1 1 124.0667 *124.068* 124.068@1.4472008 1975 1 1 1 1 1 1274 1 3924 1 2409 1 1407 1145 1 1 1 1 1 2691 1 1 1 1 1 1 1776 1898 1 1 1 1356 1 1 1 1591 1 1 1 1 1 1155 1177 1 1 1 1 1349 1633 1908 1 1 1738 7990 1 1 1082 3110 2040 1 1 1260 1 1007 1 1062 1 1 6682 7981 1504 1623 1259 1 1 1209 1447 4576 11948 1 1274 1015 1 1 1449 1 1741 1 1 1304 124.068 *124.0685* 124.0685@3.1422713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0685 *124.0687* 124.0687@1.3246855 1 1 1 1 1 1 1 1 1 1 3730 1 1 1450 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1315 1 1 1 2070 1128 1 1 124.0687 *124.0695* 124.0695@1.2422379 1 1 1 1 1 1 1 1 1 2369 1 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 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5398 4047 3285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0695 *124.0705* 124.0705@1.7707728 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0705 *124.0761* 124.0761@1.8336974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0761 *124.0779* 124.0779@1.219331 1 1 1 1 1 1 1 1958 1 1 1 1 6463 1 1 1 1 1 1 1 2379 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0779 *124.0791* 124.0791@1.445534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0791 *124.081* 124.081@1.2089101 1 1 1 1 1 1 1 1 1 1 2173 1 1 1298 1660 1 1 1 1 2868 1 1 1 1128 1644 1 1 1 1 1212 1 1 1 4749 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1509 1 1 1111 1 1 1 1 1 1 1 1 1 1 2532 1 1 1 1 1 1 1 1 1 1934 1 1 1 1 1 2990 1 1 1 1 1646 1 1 1 1 1 1 124.081 *124.083* 124.083@3.3360207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.083 *124.0873* 124.0873@1.1988335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0873 *124.088* 124.088@3.1362576 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 124.088 *124.0908* 124.0908@5.6351995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 124.0908 *124.0943* 124.0943@3.574497 1 1 1 1 1296 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 1826 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1228 1 1 1 1 1 1409 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1598 1 1 1 1 1 1 124.0943 *124.0945* 124.0945@2.954514 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 4786 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0945 *124.096* 124.096@3.591348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 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 1718 1 1 1 1 1 1 124.096 *124.0963* 124.0963@4.033016 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0963 *124.0964* 124.0964@3.8731432 1 1 2599 2684 1204 1 1 1 1 1 1483 1 1383 1 1 1 1 1 1 1 3376 1 1 1022 1 3066 1 1 1 1 1 1 1 2637 1354 1 1194 1 2075 1 1 2682 1 1 1 1 1726 1 1 2063 2709 1 2514 1 1 2233 1 2930 1946 1 1 1 1 1 1 1477 1 1 1248 1 2914 4214 1 1 1909 1 3024 2201 1 1 1 1 1 1810 1682 2682 3532 1 1 1 124.0964 *124.0969* 124.0969@4.0580096 1 1 1 1 3344 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 3038 1 1049 1 1 1 1 1 1 1 3061 1280 1 1169 1 2924 1 1 1 1 1 1 1 1607 1 1 1070 3225 1 1 1 1 1 1 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 1 124.0969 *124.097* Cadaverine 1990 1 1 1 1828 1 1 1 1 1 1196 1 3611 1 1 1 5498 1 1 2041 3698 1 1 2275 2259 5577 1 1 1 1 1 1 1 1443 1224 1 2243 1 1624 6358 1 1 1 1552 1 1 2267 1 1 3369 1100 1 1 1885 2522 1 1866 2921 2963 1721 2360 1 3495 1 1 1071 2475 1 1458 1 1 1 1 1 3029 1 1 1 2918 2293 1 1 2847 1978 4531 1782 3280 3041 3857 1 HMDB02322 C01672 124.097 *124.0974* 124.0974@2.1686385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 2061 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 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.0974 *124.0978* 124.0978@4.1151185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1 1211 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 1 1 1 1 1 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 1 124.0978 *124.0981* Cadaverine + 2.9010873 10252 5492 8236 8212 7807 8526 6135 5630 1021 1 6066 13649 8919 8093 11694 12842 7754 7710 13149 12390 28512 23702 8138 7860 9223 9617 20491 18606 3386 4372 16049 16128 13799 14319 7896 8556 11328 12297 10832 10731 18997 18590 6228 11343 12443 12959 9315 9181 14755 13988 10623 6765 13759 10810 5701 4654 13161 13176 2749 2737 6821 3220 9780 10604 7423 6196 24020 4455 9910 10055 3076 7624 6453 8235 10878 8665 1 1 9152 1 8709 10693 9787 10202 5698 7829 10298 8463 9174 7987 HMDB02322 C01672 124.0981 *124.0989* 124.0989@2.8818011 1 4576 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4430 1 1 1 1 1 1 1 1 1 1 1 8445 9563 1 1 1 1 4165 8328 1 1 2327 4795 1 18127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3012 124.0989 *124.9779* 124.9779@13.271214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124.9779 *124.9781* 124.9781@12.225924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 124.9781 *124.9784* 124.9784@8.354384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 124.9784 *124.9789* 124.9789@7.5466175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 124.9789 *124.9789* 124.9789@10.691386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1 1 1 1 1 1 1 1 1 1 1 1 124.9789 *124.9793* 124.9793@7.9369965 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 1606 1 1 1 1 1032 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 1281 1 1 1 1 1 1 1275 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1312 1 1 124.9793 *125.0138* 125.0138@5.3050127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1280 1 1 1 1 1627 1285 1 1 1 1 125.0138 *125.0144* 125.0144@2.8846517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2524 1 1 1 1 1 1 1 1 1 1 125.0144 *125.0166* 125.0166@6.866203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0166 *125.0466* 125.0466@3.005022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 125.0466 *125.0545* 125.0545@1.2104208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0545 *125.0578* 125.0578@2.1880462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10430 1 1 1 1 1 1 1 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 3988 1 1 2801 1 1 1 1 1 4700 3094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0578 *125.058* 125.058@2.1877105 1 1 1 1 4591 6474 2792 1704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4682 13591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 125.058 *125.0582* 125.0582@4.1519513 1 1 1 1 1657 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 1 1 1 1 1 1 1 1225 1296 1 1 1 1 1 1 1622 2004 1 1 1 1 1 1541 1 1 1 1 1836 1 3039 1977 1 1 1 1 1 1 1 1 1 1 125.0582 *125.0586* 125.0586@2.2451758 1 1 1 1 3032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0586 *125.059* 5-Methylcytosine 2017 2123 2469 2270 1 1 2722 2703 1380 1827 2598 2122 1334 1 2003 2779 2241 2630 3508 3557 1902 1850 1274 1192 1 1040 1458 1705 1 1188 1558 1634 1 1 2282 2862 3878 4250 4692 4740 3990 4063 1633 1628 1411 1235 1815 1 1582 1879 1 1745 1713 1725 2575 2335 1 1 3136 3321 3760 3319 3248 2903 2959 3554 2318 2397 1612 1591 2961 3237 1713 1641 1 1409 2734 2586 1847 1468 4156 4187 3483 3162 3558 3524 1 1629 2173 2189 HMDB02894 C02376 125.059 *125.0707* 125.0707@2.7943113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0707 *125.0792* 125.0792@1.2734793 1 1 1 1 1 1 1 1395 1 1 3852 1 1 1 1262 1362 1 1 1 1 1 1 2233 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 3953 1 1 1 1 1684 1 1 2197 1 1 1 1502 1823 1 1 1950 1 1835 1 1 1 2167 1 1313 1670 1 1 1091 125.0792 *125.0794* 125.0794@1.7342384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0794 *125.0833* C7 H11 N O 8839 9570 7537 7195 10835 10901 18186 18568 19761 18956 23424 25229 22796 21859 7824 7096 6493 7654 20846 19919 5475 5587 11002 12407 5572 5802 10553 9896 9152 8458 7392 7037 14287 14397 15813 14794 11251 13751 14446 15463 17136 19406 5979 6029 7174 8767 18635 21335 3476 6658 9633 8887 32389 32443 10932 10787 14653 15126 6527 5603 14625 13821 3147 2792 23916 21218 16908 15912 27839 27316 14200 13644 14269 14058 10497 11845 19589 21306 41826 41875 12413 4406 8982 10180 15945 15008 14193 15717 8012 7374 125.0833 *125.0834* 125.0834@1.6922255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 125.0834 *125.0836* C7 H11 N O + 2.8994215 102817 105196 80451 79653 64037 41780 46343 30846 14024 15138 137755 138361 98714 91465 131076 127412 68624 67786 128864 129488 267664 268480 76589 78870 92031 93854 226210 224470 43585 45343 170760 170590 144031 143348 79385 79991 114224 117995 107141 106856 200805 202345 111818 111934 121919 122749 100026 101576 149388 148539 115981 118340 90381 90402 135289 136729 121803 120697 19897 22624 117367 114442 103004 103652 111294 108234 249209 251219 94206 95085 42249 51467 72118 68750 86927 88665 49893 39062 70958 81220 97759 93214 98794 101285 71859 69091 93470 92522 107204 102366 125.0836 *125.0838* 125.0838@2.9183426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13553 1 1 1 1 1 9836 1 1 1 1 1 1 1 1 1 1 1 1 125.0838 *125.0928* 125.0928@5.749611 1 1 1 1 1 1 1 1 1 1 1 1 1559 1 1 1 10571 1 1 1 1 1 1 1 1 1 1420 1 1 1829 2028 1 3785 1 1 1 7490 1 1 1 2078 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 6317 1842 1 1034 1 1 1 1 1 1 1 1 1 1 1 6242 2125 2126 1 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1786 125.0928 *126.0315* Hydroxyhydroquinone 12915 76930 28573 19760 30602 1 1 1 19955 87405 19991 15589 27285 20606 59618 15707 37583 1 1 8033 1 56904 29275 1 43499 35585 22792 33665 1 49412 95191 100170 1 18848 95877 15933 41092 34407 14120 18309 76401 1 11613 90490 48980 49545 1 99645 8947 56482 1 38651 62239 20723 1 22413 1 11678 31608 71540 1 79777 1 8271 15112 1 1 1 1 34480 1 1 40168 1 1 17273 1 1 60794 37058 1 1 42542 42723 1 1 1 32719 26556 27688 126.0315 *126.0315* Hydroxyhydroquinone + 2.445746 66198 15986 43334 1 81247 108096 123106 114847 83416 20482 18027 65858 37459 13213 29467 42072 33587 86074 39321 34353 96916 44531 41889 78280 70800 70436 63017 54591 62173 12069 1 20193 58771 28621 1 38090 26545 28558 29284 1 24847 80873 72365 1 29503 39461 107601 1 49322 25265 84780 38136 15101 40236 63597 42839 58583 16925 32729 1 90905 29658 58845 39223 70830 74180 74143 76961 67768 39118 85809 90691 81972 100549 86451 71833 105892 88181 50500 41822 65793 84176 29649 53033 89207 64049 94945 44782 1 63064 126.0315 *126.0315* 126.0315@2.7762835 12775 38206 1 26251 34493 1 1 1 1 25830 1 49862 38995 28825 11995 1 23758 1 52063 39029 1 1 32454 1 1 1 1 1 1 4477 1 38464 37149 37274 1 26736 49511 45692 1 1 37336 1 1 22897 45891 39896 30550 22712 30153 34242 31081 1 25462 14194 21630 1 29955 40823 1 1 1 1 1 40626 1 1 1 16400 30345 1 1 1 1 1 11600 1 1 9865 1 1 40602 1 28102 1 1 1 39067 1 1 1 126.0315 *126.0315* 126.0315@2.608965 28726 1 1 1 14517 1 1 1 1 1 20256 29193 22562 27477 1 1 25400 1 1 21753 1 1 33997 1 1 1 1 1 1 16523 1 1 27592 55878 1 23883 41028 15137 21050 1 1 1 1 1 1 1 37786 1 23638 1 21822 1 16464 20497 20873 1 1 24868 1 1 1 1 1 1 1 1 1 24205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0315 *126.0315* 126.0315@2.3826745 1 1 1 1 1 1 1 1 1 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 1 40927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0315 *126.0317* 126.0317@2.7797904 1 1 1 1 1 1 1 1 1 1 1 1 1 5059 1 1 1 1 1 12673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0317 *126.0334* 126.0334@2.042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 126.0334 *126.0387* 126.0387@1.4741993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1403 1 1 1165 1123 1 1 1 1 1 1 1 1 1 1 1 1060 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0387 *126.0421* Thymine 1 1 2172 1 3653 1 2867 3284 3261 1113 3744 5899 3394 2896 3004 1 1 1 1019 3382 2912 3104 2499 1955 1281 1747 3486 3907 3626 3804 3686 4085 4328 4098 1 1210 3079 4584 4081 2340 2395 1 3364 3191 1844 2235 1855 2324 3525 1311 4335 3173 1 5095 1 1 2043 1 1002 1 3740 2973 3916 3392 3184 2670 3638 1 4171 2769 2118 5225 2548 1 3220 3047 2909 3536 8729 2788 1 1 3743 3347 4230 1471 5898 3049 4072 1731 HMDB00262 C00178 126.0421 *126.043* 126.043@1.553096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.043 *126.0462* 126.0462@1.5557886 1 1762 1 1 1 1 1 1 1 3887 1 1 1 1 1 1 1240 1949 3163 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 3888 1 1 1 1 1519 1 1 2401 1 1 2182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3825 1 1 1 1 1 1 1 1 1 1 2405 1 1 1 1 1 1 1 1 1 1 1175 126.0462 *126.058* 126.058@1.3988779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 126.058 *126.0632* 126.0632@2.9455748 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0632 *126.0646* 126.0646@3.6456466 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 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 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 1050 1 1 1 1 1 1 126.0646 *126.0649* C3 H6 N6 4353 4404 4669 4514 2590 3224 7266 6744 68343 69801 3841 3550 8689 4625 8727 8194 2847 2540 18332 19454 6758 7046 76860 77816 6392 6511 7730 6226 6911 6978 2985 2252 3390 3833 2753 2775 7827 7516 7654 7516 3023 3135 6007 5103 3442 4977 1355 1332 5021 4273 1 1 5423 4304 4861 4890 4460 1583 31487 32445 7613 8467 17825 18457 18915 18378 28058 28470 5707 5250 4328 4309 8362 8904 4065 3996 3872 4724 58944 61346 3763 4031 4210 3639 2806 3806 8907 8401 2941 3493 126.0649 *126.0662* 126.0662@1.1950802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 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 3643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2579 1323 1 1 1 1 1 2585 3715 1 1 1 126.0662 *126.0691* 126.0691@1.189164 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5463 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 126.0691 *126.0723* 126.0723@1.499995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5318 1 1 1 1 1 1 1 1 126.0723 *126.0748* 126.0748@1.697057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 4182 1 1 1 1 1 1 1 1 1 1 1 126.0748 *126.0766* 126.0766@2.9559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 126.0766 *126.0788* 126.0788@4.6599145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1360 1 1 1 1 1 1 1 126.0788 *126.0822* 126.0822@2.9445255 1 1171 1 1 1 1452 1 1 1 1 1 1 1038 1 1 1 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 1 1447 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 1 1 1 1 1 1 126.0822 *126.0845* 126.0845@1.6731658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 126.0845 *126.0991* 126.0991@1.1783829 1 1 1 1 1 1 1 1 1 1 1 1 2779 1 1 1 1 1 1 4211 1 1 1 1887 1402 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 1 126.0991 *126.1008* 126.1008@1.2182682 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1 2281 1728 1 1 2513 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 126.1008 *126.1387* 126.1387@1.1380394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1945 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 2016 1855 1 1 1 1 1 1 1 1 1 1127 1499 1 1493 1 1 1 1 1 1160 1 126.1387 *126.1396* 126.1396@1.1359538 1 1 1 1 1 1 1 1 1 1 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 1846 1 1 1 1 1 1 1 1 1 1269 1 6027 5988 1 1 1 1 1 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 1129 126.1396 *127.0204* 127.0204@1.91417 1 1 1 1 1 1 2019 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0204 *127.0355* 127.0355@2.6806822 1 1 1 1 1 1 1 1 1 1 1 2894 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2437 1 1 1 1 1 1 1 1 1 1 1 1 1490 2609 1 1 1 1 1 1 1 1518 1 1 1 2733 1 1 1 2562 1100 1 1 1 3727 1 2293 1 1 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0355 *127.0355* 127.0355@2.7341697 1 1781 1 1 1 1 1899 1 1 1 1 1 1 1 2035 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 3242 5663 1 1162 1 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3368 1 1 1 2511 1858 1 1 1 1574 1 3414 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1285 1 1 1 1 127.0355 *127.0365* C4 H5 N3 O2 1 2398 1 2324 1 2255 1 1306 1 1 1 1 1 1 1 1 1050 1 1486 6322 4289 8183 1493 1 1669 1 1289 2164 1 1 1 4722 1 1336 3104 1 5830 6464 1845 1 1 1 1 1958 1 1749 2418 1952 1 1 1 1 1230 1 1271 1 4511 1 6581 1 1480 1 4295 2983 1 2449 1 2271 1 7005 1 1 2187 1 1 1642 1 1 1611 12223 1488 1 4351 1 1 1019 1 1432 1 3347 127.0365 *127.0367* 127.0367@2.3892212 1 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4560 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0367 *127.038* 127.038@2.6933534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.038 *127.0382* 127.0382@2.8051467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1851 1 1 1 1 1028 1 2599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1469 1 127.0382 *127.0459* 127.0459@1.0525974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0459 *127.0486* 127.0486@1.2714596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0486 *127.0519* 127.0519@1.267238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0519 *127.0608* 127.0608@2.8850594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 127.0608 *127.0616* Diethanolamine 1 1680 1488 1 1 1626 1785 1 1057 1994 1866 1697 3308 2300 1300 1 1754 1 1 2875 1560 1739 5046 1 4294 1366 1 3562 2077 2028 3469 3539 4295 2225 1211 1277 2264 3546 1 1 2254 2073 2395 1 1625 1545 4032 4633 3095 2292 2101 4453 2849 3386 3809 1 2261 2008 4688 1438 5243 1 3149 4468 1718 1528 1583 1088 1 3501 2456 4669 1726 3130 3243 1611 1196 1 1 2644 1 4105 1 1321 2174 1 1566 1 2680 1 HMDB04437 C06772 127.0616 *127.0617* Diethanolamine + 5.748325 1580 1231 2722 1 1 4460 2072 4327 3200 2940 1 1105 1 1853 2668 4877 2462 4250 1 1045 1930 1593 5842 1 2278 2008 4240 1229 1 6153 1789 2097 6279 4786 1151 4674 4922 1830 4137 5682 1576 2260 2285 1559 1 4731 1242 4909 2887 1366 4327 1798 1537 4829 1551 1 1 5212 6369 2475 4754 6919 5074 1 2851 1297 5014 1456 6920 4842 1959 1930 2259 4626 4283 1254 3073 1161 4125 3758 1692 1234 4101 1 2377 1 6037 1 1796 1 HMDB04437 C06772 127.0617 *127.0617* 127.0617@5.776034 1 1571 2377 1 1 2001 1 1 1015 5798 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 6304 1178 1 1 1593 1 1 2010 1 1800 1 1 1 1 1 1 1871 1 2199 1677 1 1 1 1827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2141 1 1 1 1 1 127.0617 *127.062* GUVACINE 1 1325 2767 1 1 1347 2049 1 1079 1585 1 1966 1 1653 1648 1 3629 1670 1 1690 1445 1 4417 1 1 1 3370 1 2306 1093 2463 1239 2105 1270 1669 1 1 2518 1 1 2593 3000 1602 1 1 1705 1 1 2103 1 1 4870 1 1238 2069 1 1 1777 1 2734 2177 2003 1 1785 1059 1 2151 1681 1 1 3011 1 1 1223 1888 2650 2511 1047 1 1988 1 3739 2398 1 1525 1 3202 1 1390 1 C10149 127.062 *127.063* D-1-Piperideine-2-carboxylic acid 2384 1 1 1 2306 1 4174 3004 2785 2540 2995 2662 2858 2895 3454 3100 2911 2707 3986 3581 1891 2593 2500 2082 1 1353 2096 1938 1 2343 1028 2996 2488 2560 2483 3244 4082 4141 4373 3591 1 1 2918 3335 1 1 3115 1131 2485 1 1951 2531 1 2902 1 3187 1 1 2853 4357 4456 4050 3915 4583 3353 3237 3273 3039 2464 3169 4152 2901 3317 3399 2301 2519 2735 1 4292 6014 3400 3418 2532 2558 3868 3949 1 2219 4182 3759 HMDB01084 C01258 127.063 *127.0633* 127.0633@5.6479836 1 1 1 1 1 1 1 1 1 2349 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 1433 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0633 *127.0635* 127.0635@1.8967897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1123 1 1 1 1926 3007 1 1 1 1 1823 1 1 1 3508 4466 1 1 1 1 1 1 1 1 1 1 127.0635 *127.065* 127.065@1.6719592 1 1 1 1 1 1 1 1 1 1 1190 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4980 6080 1 1 1 1 1 1 1 1 1 1 127.065 *127.0663* 127.0663@1.2479947 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 1169 1806 1 1 1 1 1 1 1 1 1 1 1 1 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 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0663 *127.0688* 127.0688@1.277847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 127.0688 *127.0741* 127.0741@3.8411953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 38123 1494 1 1 1 1 1 1 1 1 1 1 127.0741 *127.0745* 127.0745@4.883176 1 1 2852 2401 1327 1 1 1 1240 1607 2955 3023 1658 1036 1914 2007 1 1 1491 1721 1 1 1 1 1 1763 2314 2629 1 1 2544 2210 2023 1551 1940 1 1 1 3759 3928 1 1581 1768 1 1365 1816 1350 1 1 1 1970 2236 1727 1878 1352 1 1546 1 1865 1713 2530 2812 2103 1609 1836 1525 11270 10480 1951 1815 2980 2515 1 1 1874 1840 2341 2111 1 1608 3564 3657 1967 2234 4852 4449 2043 2454 1354 2324 127.0745 *127.0751* 127.0751@3.8802087 1 1 1 1128 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1671 1 1661 1 1 1 1212 1389 1 1 1 1 1806 1576 1 1 1 1610 2200 1992 1628 1752 1592 1171 1 1 1 1 1 1 1 1 1502 1 1899 1 1 1 1 1 1868 1921 2602 2693 1583 1970 1 1 5968 5678 1 1 1 1 1 1 1 1 1 1 2117 38410 1597 1 1 1 1137 1 1 1 1 1342 127.0751 *127.0918* 127.0918@1.2055109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6082 6040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 127.0918 *127.0964* 127.0964@1.2006254 1 1 1874 1666 1 3108 1 1 1 7100 1 1 1 1 1 3073 3111 2354 1 1 1 1 1 1 1 8634 1 3089 1 5519 2219 1 1 1756 1 1 1124 1467 1 2082 1158 8496 1 1 1 1 1 1 1 1 1726 1388 2754 3397 1 1 1 1 1 1 1 1 1393 1 1 1 3349 1 1223 1 1 1 4071 1 1125 1183 1 1 2364 3014 1 1 1367 1 1595 1384 1629 1619 1 1 127.0964 *127.0976* 127.0976@1.1166921 1 1 1 1 1 1 1 1 1 5666 1 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 1 1 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 1 1 1 1 1 1 1 1 1 3611 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0976 *127.0977* 127.0977@1.5908004 1 1 1 1 1 1 1361 2300 1 1 1726 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0977 *127.0981* 127.0981@2.296185 1 1 1794 1 2154 3649 1 1814 1 1 1 1 1 1 1 1 1295 3892 1 1952 1 1890 1 1 1 1 3069 2685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9486 7512 1 1 1 1 1 1 2032 2089 1 1 3183 1140 1833 1272 4358 4123 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 2389 1 1 1 1 1609 2360 4949 1 127.0981 *127.0984* 127.0984@2.2354143 1 1 1 1 2726 2565 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 1 1043 1 1 1 1 1 2038 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 1190 1 1 1 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 1586 1 1 1 127.0984 *127.0988* 127.0988@1.3395915 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0988 *127.0992* 127.0992@1.6389508 1 1 1 1 1 1 79451 78778 1 1 1807 2350 1 1 1 1 1 1 1 1 4445 6427 3423 4317 1 1 1 1 1194 1524 1 1 1 1 1735 2371 1 1 1 1 4714 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 4678 1 1 127.0992 *127.0993* 127.0993@2.2961829 1 1 1 1 4092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 127.0993 *128.0109* 128.0109@1.0212245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4100 4425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0109 *128.0347* 128.0347@1.483261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0347 *128.0443* 128.0443@2.4568217 1 1 1 1 1 1 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 1410 1 1 1 1 1 1 1 1 1 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1689 1733 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3006 1 1 1 1 128.0443 *128.0469* 6-hydroxy-2-hexynoic acid 7890 8717 29565 29556 2266 2688 3269 2638 37381 35772 5790 5768 5930 38011 42666 9384 6433 6117 4717 5978 5387 5548 30255 5935 6989 6068 32172 7534 4253 5201 5535 6048 1 1 4239 28170 6553 7032 6122 6094 3506 3624 2355 1713 31950 4976 6607 6301 33558 5895 7340 6997 5983 34393 8336 8022 19972 24903 5395 5522 10044 40082 4125 4193 6786 7187 6736 5515 6912 6989 61914 58051 2698 2750 4815 4097 9309 36655 8660 73344 9003 8807 4476 4396 5999 6063 6685 6855 5083 5198 128.0469 *128.0478* 128.0478@1.435257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0478 *128.0484* 128.0484@3.3104255 1 1 1 1 1688 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3437 1 1 1 1 1713 1 7319 4894 1 1 1 1 2600 2277 1 1 2798 3090 128.0484 *128.0485* 128.0485@1.1379473 10766 15157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1564 1 1803 1 3139 1503 1389 1 4068 4660 1 1 1283 1 1 2433 1 1 1 1 1983 1 1699 1 1488 1 1214 1 1 1 1 2026 1 1 1 1784 1 1 1 1 1 1 10541 11865 2815 1961 1 1 1 1 1 1 2297 1 1 1 1 1 41543 40839 2087 2206 1292 1 1570 1 8680 2004 1 1 1 1 1 1 128.0485 *128.049* 128.049@2.1055968 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.049 *128.0514* 128.0514@1.9055307 1 1 1 1 1 1 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 2347 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 2230 1 128.0514 *128.0525* 128.0525@1.3773063 2202 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 1057 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3673 1 1 2524 1625 1 1 1404 1 1 1 1 1 1 1 128.0525 *128.0536* 128.0536@7.2444825 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0536 *128.0544* 128.0544@1.2544379 1 1 1 1 4607 4148 6175 7175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8544 7447 1 1 1 1 1 1 6074 1 1 1 1 1 1 1 1 1 6235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4760 1 1 1 1 1 1 1 5457 1 1 1 1 1 1 1 1 6754 1 1 1 1 1 1 128.0544 *128.055* 128.055@1.840895 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 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 128.055 *128.0555* 128.0555@3.405527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0555 *128.0556* 128.0556@1.1752815 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0556 *128.0559* 128.0559@2.3406777 1 1 1 1 2359 2345 1 1733 1 1 1 2575 1 1 1 1 1 1 1009 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 2574 1958 1 1 2010 1 1758 1 1637 2185 1 1 3705 3478 2457 1839 3644 3841 2080 2410 1 1 2684 2528 1 3408 1 1 3355 3449 2320 1 3234 3281 1385 1 1 1519 128.0559 *128.0561* 128.0561@1.3402503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0561 *128.0563* 128.0563@2.6887996 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 1807 1 1 1 1 1 1 1 1 1 1 1 1 2280 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 1974 1837 1 1 1 1 128.0563 *128.0568* C5 H8 N2 O2 1 1 4673 4612 1073 1 1 1 5030 4116 5911 6206 4684 3708 4660 5083 3638 4435 4048 3913 4944 4672 3830 4195 5484 5397 5183 4783 1 1 4940 4557 6997 6061 5228 4333 1 5116 3315 3402 7992 7999 5615 6016 4028 3867 1281 6119 6776 6084 3636 4318 4541 4309 5305 5617 5146 5439 1 1 4882 4182 5366 6805 1209 6037 1 5171 5413 5914 5490 5439 5105 5625 1 1 5947 5471 3433 3473 4350 3678 1 1 4480 4311 6125 5107 3550 3229 128.0568 *128.0572* 128.0572@7.248983 1 1 1 1 1 1 1 1 1 1 2237 1758 1 1 1 1 1894 1880 2117 2164 1 1 1 1 1 1 1 1 1 1 1592 1890 1 1 1 1 1962 1658 1 1673 1 1 1 1 1 1 1680 1337 1519 1667 2674 2726 1 2166 1 1 1 1098 1 1 11188 12127 2906 3669 1 1 4942 4386 3175 2992 6043 5624 1 1 1790 1641 4284 3855 3762 3393 3209 2979 4327 4074 2867 2805 4379 4833 2597 2664 128.0572 *128.0582* 128.0582@2.321148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0582 *128.059* 128.059@1.7778598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.059 *128.081* 128.081@1.1745431 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4188 1 3178 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 2751 1 1 128.081 *128.0882* 128.0882@1.4813788 1 1 1 1 2253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0882 *128.0941* 128.0941@8.954961 1 1 3190 2824 1 1 1889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1948 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0941 *128.0944* 128.0944@1.475572 4005 3868 1 3895 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 3375 3066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.0944 *128.0947* 128.0947@4.2739086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1099 1 1 1 1 1242 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1514 1 1 1 1 1 1 1 1 1 1 1 1 2223 2135 1 1 1289 1218 1 1 1 1 128.0947 *128.1299* 128.1299@3.2304044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128.1299 *129.0197* 129.0197@1.2873936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 129.0197 *129.0425* Pyroglutamic acid + 6.857936 5212 2584 3859 3382 3250 3169 3355 6793 4983 4962 11097 9253 6650 6323 5375 6308 2649 2580 3478 7207 7531 7161 6017 2979 10196 10582 7579 5317 2449 4911 7624 6214 4132 7889 1903 4038 6957 7670 6978 7845 10721 10504 4621 2796 6844 7482 4513 4251 6520 2643 41811 41508 22090 23470 10521 10450 8318 9281 5070 5125 33550 34243 9249 2799 17584 16270 11183 11589 9401 7257 56497 55978 6169 7239 13240 13821 62102 60205 32679 35771 58583 54409 35040 34281 46023 47681 57627 58213 24858 24659 HMDB00267 C01879 129.0425 *129.0427* Pyroglutamic acid 2916 3338 4053 3733 3116 2901 2245 2168 2587 2614 3040 3046 3121 3031 2039 2193 2574 2420 2849 2361 2862 2558 3084 2663 3534 3832 3011 2265 2789 2495 2823 3749 3749 3286 2530 2774 2880 3546 3117 2746 3178 3030 2856 3273 2447 2616 2007 1591 2312 2067 4811 4718 4501 5017 4094 3968 2923 2421 3137 2911 5474 5581 3014 2721 4107 4148 3959 3336 3466 3371 5148 5821 2054 2625 4291 4350 6317 6668 16160 17479 5194 6559 4562 5080 5282 5230 11185 13831 4404 5484 HMDB00267 C01879 129.0427 *129.043* 129.043@6.8851767 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 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 1 129.043 *129.0454* 129.0454@5.195233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 129.0454 *129.0572* Isoquinoline 1 1 4078 3696 1610 1 3404 2936 1677 1531 4169 4281 1 1156 1 1 4274 4041 3136 3300 3708 3855 1 1 1 1535 6755 6090 1 1 3860 3330 3269 2923 1744 1 2735 2851 3252 3102 1 1966 1 1645 1245 1 2777 2416 3895 4046 1 1 1052 2015 1 1 2247 3166 1 1 9301 8040 6123 5807 2335 2042 14495 14560 3404 3212 2951 3362 1810 2254 2589 2904 2591 2048 2351 2161 2922 3546 2396 2591 6388 6496 5421 5010 3326 3380 129.0572 *129.0603* 129.0603@3.7765834 1 1 1 1 1 1677 1 1 1 1 1 1 1811 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 2312 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0603 *129.0614* 129.0614@1.2667674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0614 *129.0622* 129.0622@1.7943509 1 1 1 1 1429 1 3356 3099 1 1 1 1 1 1424 1 1 1 1 1 1950 1711 2430 1700 4216 1 1 4224 4022 1491 1703 1869 1686 1 1 1 1 1 1 3649 3009 3359 5242 4338 4462 1 1 1 1 4804 3180 3010 3377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 3202 1 1026 1 1 1 1 4414 5232 1 1 1 1 2412 1 1 1 1 3427 3741 1387 1 1995 129.0622 *129.064* 129.064@3.779468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 129.064 *129.066* 129.066@1.8086534 1 1 2928 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 1 1 3038 1 1 1 1 1904 1 1 1 1 2968 1 1 1 1 1 1 1 1 1 1 1 1 4395 2310 1 1 2587 2856 1 1 1 1 1 1 1 1 1 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 129.066 *129.0665* 129.0665@1.2119423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0665 *129.0698* 129.0698@1.8476597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 129.0698 *129.0763* 129.0763@2.0341334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0763 *129.0768* 129.0768@2.0117438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 2199 1 1 1 1 1 1 1 1 1 1 2362 1466 1 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.0768 *129.0774* 129.0774@1.4654416 1 1 1 1 1 1316 1 1 1247 1 1 1 1 1 4006 1 1 1 1 1 1 1 1 1 1 1 1 2963 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 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1065 1413 1 1 129.0774 *129.0779* 129.0779@5.9004917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3204 1 1 1 1 1 1 1 1 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 2358 1 1 129.0779 *129.0781* 129.0781@1.3547356 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 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 1 1 1 1 1 2665 1 1 1 1 1 1 1 1 1 2011 1 3572 1 4335 3914 3302 1 2675 1 1 129.0781 *129.0783* Vigabatrin 1 2484 2895 3627 3373 3534 3212 2895 3223 3419 2786 3164 3931 3823 20308 25011 1 4015 3462 4385 3806 3634 2926 2739 3955 3489 4202 4919 3072 3522 3096 1589 3285 2556 2107 2665 3018 3421 2775 2782 5395 5059 2325 1 2515 4025 3843 4486 2750 2603 4370 5439 2915 4169 2630 2980 2941 2777 2830 2608 1713 2564 2477 3490 3752 3496 2415 3694 1 1006 3659 2792 2938 2441 2867 2896 2571 2519 3183 3823 3064 2954 4572 2449 2399 2658 4518 1751 3229 3967 C07500 129.0783 *129.0787* Vigabatrin + 3.9734793 4693 1 2282 2221 1032 1578 1449 1273 1 1 1 1107 1 1 1190 1 1 1 2523 2695 1 1 1 1 1050 1 2663 1731 1 1 1413 1507 1 1 1 1 1 1245 1339 1 2077 1 1 1 1 1972 1 1 1 1 1 1 1 1 1220 1504 1 1980 1360 1 3051 2865 2260 2152 4159 4550 4309 4347 7174 7556 1171 1 1815 1110 1 1 1738 1241 3005 2866 1 1 1304 1183 1 1 1631 1344 2886 1 C07500 129.0787 *129.0788* 129.0788@6.2335024 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1676 1353 1 1 1 1 1 2479 1938 1 1 1 1 1 1 2550 2070 1 1 2561 2221 1 1316 1 1 1 1 1 1 1 1 1 1 1 1688 3222 4146 1 1 1 1 1 1 1 1 1 1 1 1 2169 2817 1 1 1 1241 1675 1361 1 1 1 1 2278 2004 1 1 5862 6371 1537 1 7121 7804 2069 3020 129.0788 *129.0902* 129.0902@4.8715763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2461 1 1 1 1 1 1 1 1 1 1 129.0902 *129.0906* 129.0906@5.055049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2500 1 1 1 1 1 1 1 1 1 1 129.0906 *129.1005* 129.1005@5.2080755 1 1 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 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1005 *129.1016* 129.1016@5.1026297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1016 *129.1019* 129.1019@5.045045 1 1 1 1 160969 161224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383721 385492 1 1 1 1 1 1 1 1 299147 305814 1 1 1 1 1 1 518691 508620 424684 430770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226837 227574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1019 *129.1491* 129.1491@5.3229766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6730 1 1 14751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7641 1 1 129.1491 *129.1511* 129.1511@3.557605 1 1 1 1 1 1 1 1 1 1 24200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5845 1 24209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15648 1 1 1 1 1 1 6460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1511 *129.1511* 129.1511@3.870841 1 1 1 1 1 1 1 1 1 1 7958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27179 1 1 1 1 1 1 1 1 129.1511 *129.1512* 129.1512@3.513596 1 1 1 1 1 1 1 1 1 1 12437 1 19715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31688 1 45662 1 1 1 1 1 1 1 16884 1 1 1 1 1 1 1 1 1 1 1 31350 1 1 1 1 1 1 20537 1 1 7605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1512 *129.1512* 129.1512@3.7538948 1 1 1 1 1 1 1 1 1 1 4581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1512 *129.1513* 129.1513@3.6928546 1 1 1 1 1 1 1 1 1 1 8907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1513 *129.1514* 129.1514@2.5783417 1 1 1 1 25703 1 1 1 1 1 1 1 8623 1 1 1 1 1 1 1 1 1 1 1 1 17744 1 1 1 1 1 1 1 1 17368 1 43496 1 6299 1 1 1 1 1 1 1 12905 1 1 1 1 1 1 1 1 1 1 1 32479 1 1 1 1 1 1 8088 1 1 5393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1514 *129.1514* 129.1514@3.2138665 1 1 1 1 1 1 1 1 1 1 1 1 4315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6927 1 5806 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 5956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1514 *129.1515* C8 H19 N 1 204349 478213 1 183198 29353 185456 1 215430 1 195663 1 86460 1 120271 1 1 167759 239322 1 1 518866 1 1 1 60159 1 1 35381 1 205522 303108 1 116560 190108 195046 145978 546227 212505 83778 499879 152486 550440 164702 118142 1 45919 1 157135 77744 191249 175148 180206 69247 88266 162906 153977 166524 162116 1 80063 1 1 1 1 35918 37287 76132 66438 1 49098 86328 89166 89027 1 86712 74917 77896 23727 84183 84646 54388 78675 85633 92859 47305 35542 74191 37426 81149 129.1515 *129.1515* 129.1515@4.218571 1 1 1 1 1 1 1 1 29071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26391 1 1 1 1 1 1 1 566873 1 1 1 1 1 1 1 1 1 464958 1 1 14618 1 1 12908 227997 1 1 1 20552 1 1 232461 171195 1 103509 1 1 1 1 12086 1 1 12531 1 1 84033 1 1 1 1 138653 13731 90181 1 1 87004 1 1 102710 16015 1 1 125338 1 129.1515 *129.1515* 129.1515@2.7669947 1 1 1 1 1 1 1 1 1 1 1 1 45740 1 1 1 1 1 1 1 1 1 1 1 1 35582 1 1 1 1 1 1 1 1 31491 1 1 1 24805 1 1 1 1 1 1 1 22903 1 1 1 1 1 1 1 1 1 1 1 4311 1 1 1 1 1 1 18372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1515 *129.1515* 129.1515@2.4384863 1 1 1 1 1 1 1 1 1 1 1 1 15007 1 1 1 1 1 1 1 1 1 1 1 1 12008 1 1 1 1 1 1 1 1 22664 1 1 1 11793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1515 *129.1516* 129.1516@4.044866 1 1 1 1 1 1 1 1 1 1 1 1 85522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60612 14415 1 1 82220 59544 1 1 27484 1 1 1 1 1 1 1 38734 39345 1 1 1 38728 1 1 1 1 1 15756 1 104050 1 1 65762 1 1 13357 38338 1 1 1 1 129.1516 *129.1516* 129.1516@2.6624174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14692 1 1 1 29457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129.1516 *130.0214* 130.0214@1.3206118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1491 1 1 1 1 1 1 1272 1338 1 1 130.0214 *130.0615* 130.0615@1.664162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 130.0615 *130.0628* 2-Methyl-3-ketovaleric acid 3400 3311 3522 4992 1732 4223 4310 4559 1954 5195 4688 4313 5576 5495 1303 1 2054 2101 5617 6826 1949 4695 1242 4043 1 2806 4143 3763 2424 1 4207 4459 4185 4225 1630 3787 5595 5259 2424 4419 5450 5387 3065 2627 4258 1301 4885 3359 2436 1042 3720 4443 5699 5188 2664 2645 3539 3200 5137 4741 7515 6652 6954 4357 5385 6349 6581 7078 6192 5928 7230 7363 2955 2065 3737 4056 5275 5142 11419 12378 6072 6198 4187 4240 8189 7410 6668 2786 5678 6474 HMDB00408 130.0628 *130.0629* 130.0629@3.2899091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.0629 *130.0632* 130.0632@2.2496355 1 1 1048 1 1 1 1 1 2958 1 1 1 1 1 1 1 1 1 1 1 1 1 2984 1 1 1 1 1 1 1 1 1 1 1 2311 1 1 1 1 1 1 1 1 1042 1 1 1 1632 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 130.0632 *130.0637* 130.0637@2.3688536 1 1 1880 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 2090 1 1 1 1 1 1 2802 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1203 1 1892 1 1 130.0637 *130.0954* 130.0954@1.2023581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 130.0954 *130.0982* 3-methyl-hexanoic acid 2725 2651 1829 1409 2818 2766 3359 3612 3298 3364 2340 2315 4323 4408 2787 3147 1755 1869 3893 4402 2091 2337 2773 2634 3539 3580 3339 3259 3139 2807 1188 1 2035 1628 1353 1156 1 1154 1488 1649 1157 1212 1600 1438 5919 1208 1 1 1826 1 1263 1664 1 1793 1339 1 1112 1081 1008 1311 1 1 1 1238 1 1 1 1 1 1 1 1 1 1072 1761 1713 2074 2132 3966 5090 1 1 1 1164 1322 1423 1213 1 1 1 130.0982 *130.1104* 130.1104@6.2567077 1 1 1 1 1 1 1 12051 1 1 1 1 9760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17573 1 1 1 1 1 1 8753 1 1 1 1 1 1 1 9990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10489 10619 130.1104 *130.1479* 130.1479@6.248785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.1479 *130.151* 130.151@5.0741425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.151 *130.1543* 130.1543@3.261546 1 1 1 1 1667 1 1 1 1 1 3722 1 1 1 1 1 1 1 1 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 2211 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.1543 *130.1543* 130.1543@3.3536315 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.1543 *130.1543* 130.1543@3.9368622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.1543 *130.1544* 130.1544@4.332995 1 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 2001 1 1 1 1 1 1 1 1 1 1 1 2290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8510 1 1 1 1 1 1 1 1 1 1 1 1 1 5054 1 1 1 1 1 2796 1 1 1 1 130.1544 *130.1544* 130.1544@3.5844355 1 1 1 1 1 1 1 1 1 1 2975 1 1469 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 3678 1 1 1 1140 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1762 1 1 1 1 1 1 1 1 1382 1 1097 1 1 1 1 1 1238 1 1620 1 1516 1 1 1 1 1 1 1 1 1 1459 1373 1100 1 1054 1 1341 1560 1 1 130.1544 *130.1545* 130.1545@4.0426493 1 1 17986 20598 7590 1 1 1 9990 6343 1 16967 21032 9025 1 1 1 6628 1 1 1 1 1 10463 17853 2734 19014 1 1 11442 1 1 18170 1 1 1 1 17527 1 1 1 20316 7095 6571 13689 9011 13385 1 1 1 1 1 3437 4728 14600 1 1 1 1 1 1 1 2036 1 1 3505 1 2772 1 6389 5266 1 1 1 3550 3331 6455 7640 2994 4372 4371 8405 5581 1 1 2966 1 1 3358 3439 130.1545 *130.1547* 130.1547@4.2338 1 1 1 1 2629 21827 20472 21909 25150 13046 1 1 1 1 1 1 1 1 22283 1 1 1 1 1 1 15023 1 1 1 15888 13361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10807 1 22779 1 1 1 1 4016 11015 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 1 1 2060 1 1 1 1 2998 1 1 3387 4146 9680 1 1 7164 1 2216 7652 1 1 1 130.1547 *130.1548* 130.1548@3.492981 1 1 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 2179 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1149 1 1 1 1 1 1370 1 1 1 130.1548 *130.1548* 130.1548@2.3896196 1 1 1 1 1566 1 1 1 1 1 1 1 1 1 1 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 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 1 130.1548 *130.1549* 130.1549@2.6909685 1 1 2698 1 6004 1 1 4255 1 1 1 1 1 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 1 1 1 1712 2671 1 1 1 1 2030 1653 2426 1 1554 1284 1 1 1 1 1220 1 1642 1 1 1 1 1 1 1 1 2232 1115 1 1 1 1729 1 2831 1 1390 1 1 1 1 1 1 1 1 1 1 1 130.1549 *130.1551* 130.1551@2.8766513 1 1 1 1 1 1 1 1791 1 1 1171 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 1766 1 3262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1269 1 1 1 1 1 1 1004 1004 1686 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 130.1551 *130.1553* 130.1553@4.035941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.1553 *130.9532* 130.9532@1.9727218 1 1 1 5067 1 1 1 1 7076 14253 6731 1 16269 1 1 1 1 5044 1 1 1 1 6558 1 1 6019 4915 1 1 4892 1 1 8430 1 14216 1 3229 6092 1 1 12771 1 1 1 1 1 9544 1 1 7618 11068 11452 1 1 14144 1 1 1 1 1 1 1 1 1 1 14704 1 1 9766 4118 5292 1 1 6397 1 8931 1 1 7018 1 1 1 1 1 12376 1 1 4402 6178 1 130.9532 *130.9534* 130.9534@1.4055506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2491 130.9534 *130.9535* 130.9535@3.1885114 1 1 1 1 6380 1 1 1522 1 1 1 1 1 1 1 1 1 3052 1 1 1 8680 3058 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9535 *130.9536* 130.9536@3.899827 4719 2501 3523 6538 11402 11632 10038 3659 8281 7968 2782 9832 10749 10149 3914 1 3677 4353 4487 6572 8921 1 4304 7837 9564 6262 10298 6396 5059 3879 3070 4741 12907 6890 2814 6373 10137 6997 5938 6658 4254 2855 1 4810 10291 4379 3950 3461 12272 8218 3584 9881 2796 2709 3061 3984 2601 4377 1 4840 4661 3996 4664 3454 2010 1 8285 4078 4363 11904 6939 6782 1624 5018 4680 4218 7144 10101 4717 5205 3600 3878 4481 8966 4936 11446 7842 2481 2028 2022 130.9536 *130.9536* 130.9536@1.7914855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2585 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 5187 1 1 1 1 1 1 1 1 1 1 1 130.9536 *130.9537* 130.9537@1.9081465 1 26540 26924 10602 21826 13623 1 1 3796 6104 11324 16113 2258 2928 1 1 1 17284 1 1 1 1 1 1 1 20772 12285 9316 27046 5945 1 28157 8140 1 8106 4155 20431 13475 1 1 8182 1 1 1 1 9018 4858 1 1 15779 11602 12601 1 1 6827 21228 23530 27405 25838 1 1 1 1 1 1 10205 1 1 7543 1 18422 1 20389 1 25704 6149 1 1 9971 1 1 18973 1 26847 10700 1 1 18039 1 1 130.9537 *130.9537* 130.9537@3.1253686 1 1 1 2597 2605 1 4079 3932 1 1 1 1 1 1 1 1 1 4162 1 1 1 1694 4346 1 1 1 1 1 1 1 12016 1566 1 1 1 1288 1 1 1 1 1 1 1 1 1506 1 1 1 1 3228 1 1 1 1 1 1 1 1 1476 1374 1 1 1 1 1 1 1 1 1 13501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9537 *130.9537* 130.9537@3.261721 1 13836 17386 9202 8836 12383 6682 6592 1 1 1 19316 1 12176 1 1 3026 2061 1 1 1 6016 7764 1 16354 19005 17731 1 10924 14031 9431 1 1 1 15890 13855 20253 1 1 1 1 1 1 22873 16233 17722 1 1 1 1 1 1 1 1 1 1 1 1 3454 1996 1 1 1 1 1 1 1 1 8155 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9537 *130.9537* 130.9537@11.395495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1848 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9537 *130.9537* 130.9537@4.4375997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.9537 *130.9538* 130.9538@4.06231 5696 1906 2887 4865 1 3002 1 1563 2479 3722 2493 3472 1 4929 2502 2126 2931 1846 2042 1147 5180 1 1 2659 1 4334 2508 2340 2882 4366 1317 6814 6052 5508 2549 2635 5029 3608 5091 4337 1584 1765 2172 2280 4899 3821 5635 3345 1095 4108 3385 5805 1795 5941 2040 1857 2520 2398 2244 2949 4015 1975 2313 2731 6715 2140 1 3258 6366 6880 3247 3941 3370 1 3949 3646 1913 1927 3334 2235 1799 1 4407 5582 5941 1 1287 4488 5551 1791 130.9538 *130.9538* 130.9538@3.9772546 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 2009 1 2322 7876 1 1 1 1 1 1 1 1 1 4157 1 1 1 1 2702 1 1 1 1 1 1 1 1 1351 3527 1555 1 1 1 1 1098 1 1 1 1 1 1707 1 1 1 1 1 1 1 1 1 1 3749 1 1 1 1 1 1 1 2510 6508 1 1 130.9538 *130.9539* 130.9539@4.2751155 3625 1 2982 1 1 1 1 1276 1 1 1 1 1 1 1342 1 1280 1 1 1620 1 1 1 1 1 1 1 2411 3370 1167 1 1 1 2221 1 1 1 1 1 1410 1 1 1143 1 1 1036 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1831 1 1 1020 1 1 1005 1 1 1 1 1168 1 1 1 1621 1 1 1134 130.9539 *130.9539* 130.9539@1.9204197 1 1 1 1 1 1 1 1 11085 1 1 1 1 1 1 1 1 4356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6363 1 1 1 1 1 1 1 1 5198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10622 1 1 3142 1 1 1 1 1 1 1 1 1 1 1 130.9539 *130.9539* 130.9539@1.2438639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 130.9539 *130.954* 130.954@4.163358 1773 4775 3963 1607 1805 1 1 4183 1058 2718 4262 1079 1546 1 3308 1 2027 4794 2166 3968 1630 1 1 2322 1 4433 2830 3034 1735 2111 1086 6702 1799 4506 4461 1 1 1267 5098 2434 2830 3131 1307 2455 1 3041 2279 1 1 4545 1663 1187 2148 1 2414 3308 1250 1475 1 3570 1615 4108 1490 2821 3270 1567 2039 3263 1 1 2979 4778 1 1 4358 1733 3795 2329 2598 1526 2097 1 4773 1 7299 1 1902 1771 1434 1 130.954 *130.954* 130.954@4.078647 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 3341 1 1 4923 1 1 1 1 1 1 1 1 1 1 3222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 1 1 1 4849 3859 1 1 1 1 1 1 1 1 1 1343 1 1 1577 1 1 1 1144 1 1 1 1505 1 1 1 1072 1 1871 1 130.954 *130.954* 130.954@11.190513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4967 1 3910 1 1 1 1 1 1 1 2403 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 130.954 *130.954* 130.954@10.937706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 130.954 *130.9966* 130.9966@5.4909406 1 1 1 1 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 1118 1 1 1 1 1 1 1134 1 1 1276 1 1199 1 1 1 1 1 1495 1775 1 1 1340 1 1493 1733 1337 1114 1335 1437 1639 1689 1 1545 1724 1513 1255 1470 1693 1953 1512 1 1 1546 1 1 1437 1411 1 1351 1 1334 1746 1958 1902 1 1 1584 130.9966 *131.0352* 131.0352@1.9775969 1 1 1 1 1 2185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 1302 1 1 1 1 1 1 1 1 1540 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 1 131.0352 *131.0367* 131.0367@1.1878498 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.0367 *131.0396* 131.0396@1.5069219 1 1 1 1 1 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0396 *131.0399* 131.0399@1.4541624 6765 5098 1 1 14881 8426 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 1 1 1 1 1 1 1 5499 4846 21146 21230 3549 4014 1 1 3005 2882 2903 2442 12591 15633 1 1 1 1 1 1 1751 1863 7403 10354 2335 2063 3583 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 2451 9154 12691 1 1 131.0399 *131.0399* 131.0399@1.5485255 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3998 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 4130 1 1 1 131.0399 *131.0402* C5 H9 N O S 1 1 1314 1614 1578 1344 2104 1878 1 1 1 1 1 1 1 1 2225 2013 1 1 1641 1 1 1 1 1 1 1529 1 1025 1 1 1406 1300 1 1 1 1 1 1 1 1 1603 1149 1 1 1 1240 2322 2102 1032 1 1 1 1 1 1336 1329 1 1 1 1 2024 2071 1874 2123 2373 2203 1 1118 1512 1 1 1 2331 2023 1 1 1 1 1 1 1 1 1 1 1 1081 1393 1518 131.0402 *131.0574* 131.0574@2.0891757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2991 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0574 *131.0586* Glutamic acid g-semialdehyde 2934 2856 3720 4095 3193 2750 4178 4361 2515 2337 3039 3487 3777 3664 2640 3543 3139 3420 4255 4027 4078 3827 4972 5967 1980 2391 2003 1817 5052 5550 3826 4026 5322 6363 2900 3669 8519 7767 6715 7673 7185 6562 4715 4565 3891 4031 3232 3344 2847 3456 4424 3555 4280 4924 4926 4766 2476 2614 4293 3670 4336 3861 3641 3808 2350 2981 4394 4733 3899 5114 6487 5992 3696 3429 3460 3422 4077 4149 7057 6248 7610 8005 4515 3735 6052 7708 2549 2640 4129 3883 C00217 131.0586 *131.0597* C5 H9 N O3 1 1 1 1 1 1305 1449 1 1 1 2264 2452 1 1 1 1 1 1 1903 2217 1 1 2453 2134 1 1 1 2073 1680 1 1848 1759 2822 2596 1512 1 2997 4270 1694 3320 2390 2941 1 1587 1 1 1 1 1952 1 1 1 1 1668 1162 1 1 1 1786 1651 3136 3021 3073 2134 1322 2819 2451 2975 3156 2276 5564 3935 2977 1 1 2632 2256 3922 2826 2820 3808 1 3343 2398 4175 3831 2370 1685 4044 3919 131.0597 *131.0604* 131.0604@2.087185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 3103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0604 *131.0635* 131.0635@1.2279427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.0635 *131.0694* Creatine 102624 102359 128359 124723 125123 117763 137179 133212 172312 176148 149416 149020 121039 123259 133218 136877 125730 126103 139308 143066 131449 129230 141407 141673 162599 158706 160378 158289 100290 102176 149718 150199 128797 127343 125507 126398 111579 108060 174430 176198 139675 140257 133567 136507 149171 147496 103157 102490 114386 111037 362950 362202 47652 212529 158263 155513 159660 162858 114488 112349 265619 265770 139384 138562 234344 233292 156888 155940 152864 149959 374308 382300 123632 125932 198212 208249 438621 445351 351913 357153 460060 460791 366080 363786 406240 405591 356365 358748 247504 241404 HMDB00064 C00300 131.0694 *131.0694* 131.0694@7.0064826 1 1 1 1 1 2298 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 162487 1 1 1 5511 1 3008 1 1 1 1 1 1 2984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0694 *131.0743* 131.0743@7.051964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 131.0743 *131.0925* 131.0925@2.120729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0925 *131.0932* 131.0932@1.412564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.0932 *131.0936* 131.0936@3.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 1 1 1 1 1 1 1 1 1 1 131.0936 *131.0938* Leucine 1 1 3021 1 3374 1 1 1 37918 1 1690 1773 1 1 1 1 1 2477 5974 5776 4544 1 1 1 1 1 1041 1 1 1 1084 1 4196 3149 1 1595 1068 1 2155 2193 1 1 1 2555 1 1 1528 5016 6452 1525 2545 1215 1 1492 1 1708 3014 1 1 1 1768 20595 1 1 1265 3595 1682 1 1328 1416 16514 1382 1071 1088 1 1 1 1 1 1601 1017 1066 1 18765 1938 2504 2554 1 2029 1 HMDB00687 C00123 131.0938 *131.094* Leucine + 1.5613806 56688 57047 48889 52558 53250 51297 50025 49502 11829 51161 46697 48837 49558 47230 60189 60895 54589 56140 46929 48035 48076 49415 47920 46928 50276 51210 50305 51646 52587 56093 21084 20399 31046 23684 29033 28273 26524 26427 29907 29771 27980 26827 31353 28183 29220 28407 24032 26475 18933 25278 26139 28328 28939 30682 29033 31489 32876 32231 27380 27933 19439 11738 29588 28403 33239 33864 36136 36800 24225 24846 4232 22877 27399 25937 25873 28497 21630 23074 22623 22202 23794 20200 26234 7008 28246 29035 28008 28768 24839 23680 HMDB00687 C00123 131.094 *131.094* 131.094@1.5344521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 8685 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 10130 1 1 1 3054 1 3209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6737 1 1 1 1 1 1 1 1 131.094 *131.094* 131.094@4.004588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2950 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 1 131.094 *131.0941* 131.0941@6.7437935 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1988 1 1 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1713 1 1 1 1 1 1 1 1848 1 4614 1 1 1 2361 1 1643 16507 1 1240 1 1 1 1 1 1 1 1 1 1 1 1854 2071 1 4132 1 1 1 2134 1 1 1 1168 131.0941 *131.0944* Isoleucine + 5.8270445 8354 8680 14753 13516 12708 13961 16628 17781 10194 10934 19525 25449 9140 8910 10035 10419 12030 10368 11223 12365 13361 16980 8342 8723 9694 12525 13274 11677 7964 6461 14806 13260 9658 8207 9763 10178 8970 9685 8701 7582 8412 7576 19184 20604 10240 9968 13421 14210 10782 10912 12135 12548 15462 13412 12414 12133 10639 11647 8972 8085 20328 19529 10509 10900 20275 17922 10182 11909 13513 14383 15059 14291 20009 21801 14110 15263 21243 21913 21140 21014 15475 13344 17683 17103 15303 15354 31530 28469 9263 11296 C00407 131.0944 *131.0944* 131.0944@5.927616 1 1 1 1 1 1 1 1 1 1 1 18989 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 3446 3261 1 1 1 1 3080 2923 1 1 1 1 1 1 1585 1 1 1048 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1814 1 1947 1498 1 1 1 1251 1 1 1 1 2735 1 1403 1 1263 1 1 1 1871 5509 5018 1 1 131.0944 *131.0944* 131.0944@6.7387047 1 1 1 1 12896 11668 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2201 2930 1 1 2523 1 1 1 1 1 1 1 1 1 4690 1 1 1 1 1 1 1 1 16240 1 1516 1 1 1 1286 1 1 1 1 3826 4206 7182 7078 4606 1 1 1 1886 1 1 1 1 1 131.0944 *131.0945* Isoleucine 5500 5189 5877 5451 5724 5200 4740 5461 6216 6457 5906 5686 3670 4045 5849 5257 4065 4232 4860 5138 4801 4564 5757 6537 5265 4716 5628 5837 4653 5140 4160 3760 4223 4901 4216 3371 3791 4481 4852 5713 5832 5345 5416 4120 3291 3298 2878 3125 3534 3248 5737 6036 5175 5650 7505 6911 3944 3798 5175 5574 8955 9219 11567 10000 9931 9293 8799 8430 7841 6691 6512 6233 6038 5406 5386 6263 5022 5676 6939 8423 6456 6272 4658 5391 7788 8355 13129 11846 5934 5223 C00407 131.0945 *131.0945* Leucine + 5.754839 13679 13838 18548 18958 20931 19895 22345 20923 16515 17858 25556 1367 15914 15234 17506 16321 17442 17889 16738 17273 18515 18096 15067 15397 19363 19932 23365 22167 10841 8985 19388 20503 16474 16445 16203 15799 15045 18189 11478 12746 16571 17368 21813 24328 19580 18969 22692 23073 14717 14394 24040 24114 23670 25032 21996 23348 18586 18913 12721 14090 27842 28431 17703 18642 24749 24289 17460 17513 24079 24419 23504 24061 34626 32495 23195 21831 31253 31053 26043 26582 20983 20935 21134 21495 23192 23686 41954 43076 15270 15957 HMDB00687 C00123 131.0945 *131.1025* 131.1025@6.2480516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1302 1 1 1 1 1 1 1 1 1 1 131.1025 *131.1053* 131.1053@6.245733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131.1053 *131.1663* Octane 1 1078 1326 1839 1 1455 1 1 2003 2039 1182 1862 1 1084 1644 1424 1548 1 1 1278 1675 1520 1263 1739 2093 1847 2055 2153 1225 1 1 1543 1635 1 1197 1267 1 1055 2599 2155 1079 1214 1 1692 1980 1889 1 1 1 1158 5081 5745 2853 2798 2262 2107 1863 1854 1033 1212 4014 3689 1 1677 3021 2663 1964 1 1435 1 5305 5968 1059 1279 2718 2567 6900 7309 5474 5654 7821 7399 5661 5445 6372 5686 5276 5319 2929 3077 HMDB01485 C01387 131.1663 *132.0243* 132.0243@0.9923064 1 1 1 1 1 1 1 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1089 1036 1 1 1 1 1358 1300 1490 1 1648 1615 1041 1067 1202 1084 1204 1350 1391 1 1 2100 1 1548 1666 1815 1187 1334 1 1 1 1 1 1277 1 1074 1 1169 1 1 1391 1414 1 1 132.0243 *132.0246* 132.0246@5.8420005 1 1 1 1 1 1 1 1 1 1 1 4381 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4210 1 1 1 3697 1 1 1 3690 1 3574 3553 1 1 1 1 1 1 1 1 3936 3725 1 1 1 3570 7344 7423 1 1 132.0246 *132.0425* 132.0425@2.0339828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2395 1 1 1 1 132.0425 *132.0427* 132.0427@2.3520873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0427 *132.0432* 132.0432@2.3120587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0432 *132.0438* 132.0438@2.948008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2683 1 1 1 1 1 4117 4216 1 1 4484 3884 1 1 1 1 1 1 1822 1882 1197 2396 1 1397 3195 3944 1 2802 1 1 132.0438 *132.0439* Pteridine 8248 8176 7564 8428 13200 13469 13218 14008 5237 1 1922 8900 2147 6908 2386 5984 10106 2531 1651 2494 11087 10994 3764 6455 2210 12493 7930 11254 2685 4587 11561 10881 2427 3074 3420 9435 6689 3585 2524 3448 8900 8769 9343 8817 1 1 7320 5403 5691 5861 10547 3526 4716 6705 7499 8139 1588 5484 1701 2961 11919 13494 2119 1 10213 3673 9519 8219 7704 5903 11602 7989 7422 8927 8243 10361 1 11993 6687 14288 1 5467 8545 9123 10503 9741 1 11143 3815 12243 HMDB00844 132.0439 *132.0441* 132.0441@2.9389007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 1662 1 1 1 2192 1 1 1460 1 1 1 1 1458 1 132.0441 *132.0442* 132.0442@2.4025156 1 1 2117 1 1 1 1 1 3008 1 4020 1 1 1 2253 1 1 4503 1 1856 1 1 1 4413 1 1 3133 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 2311 4465 1 1 1 1 3375 1 1 1 3001 1 1 1 1 1 1 1 1 5732 1 1 1 1228 1 3642 2425 4642 2398 1 1 1 1 1 1 3471 3336 1 1 1 1 1 1 1 132.0442 *132.0444* 132.0444@2.400469 1 1 1 1 1 1 1 1 1 1 1757 1 5452 1 1 1 1 2612 1107 1 1 1 1546 1 1 1 1 1 1 1485 1 1 2117 1 1 1 1 4799 3480 1 1 1 1 1 1 1 2436 1 3106 1 1 1 1 1 1 1 1 1 1 3670 1 1 1 4201 1 7554 1 1 1 1496 1271 1 1 1 1 1 1 1 1 1 1 3392 1 1688 1 1 1 1 2728 1 132.0444 *132.0446* 132.0446@1.3066132 1 1 1 1 1 1 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 2773 1 1 1 1 4346 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 1 132.0446 *132.0459* 132.0459@2.0273857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0459 *132.0537* 132.0537@2.024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 132.0537 *132.0606* 132.0606@1.0851002 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0606 *132.063* C6 H12 O S 1173 2900 1270 1606 3187 3500 1 1834 2148 1685 2316 1609 1 1 2545 2285 1793 2729 2223 2365 2463 3459 1801 1 2635 2440 2040 1703 2616 2278 2483 2638 4107 1 1540 2001 1802 1929 1962 1 2422 3618 1488 1 2366 1663 1620 2185 1840 2283 3073 2910 2865 1 3128 3666 2204 1430 2299 2707 1 1 3293 3396 2888 3788 2953 3316 2308 1021 2762 1855 1061 1209 1 1 1 1 1 2830 1 1 3383 3275 1 1 1 1 1670 1 132.063 *132.0631* 132.0631@3.4803061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1180 1 1 1 1 132.0631 *132.069* 132.069@1.5650198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20247 23449 1 1 1 1 1 1 1 6850 1 1 1 1 1 1 1 1 1 1 15407 16702 1 1 1 1 1 1 1 1 1 1 132.069 *132.0693* 132.0693@1.4897113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3019 3109 1 1 1 1 1 1 1 1 3260 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 14144 15747 1 1 1 1 1 1 6987 7849 1 1 1 1 1 1 1 1 1 1 13497 11155 1 1 1 1 1 1 1 1 1282 1515 132.0693 *132.0727* 132.0727@1.4887067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0727 *132.0734* 132.0734@6.994733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 132.0734 *132.0735* 132.0735@3.498438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2793 1 1 1 1 1 1 1 1 1 1 132.0735 *132.0753* 132.0753@1.5902548 1 1 1 1 1 4746 1 1 1 1 1 1 1375 1151 1 1 1 1 1 1 1257 1 5047 3890 1 1 1 1 1 1443 1294 1 3210 2614 1 1 1 1519 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 5498 3823 1 1 1 1 1 1 1 4514 1 1 1 1 1 1 1 1 1 1 1 1 9245 1 1 1 1 1 1 1 1 1979 1 132.0753 *132.0768* 132.0768@2.5952792 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 1749 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 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 4512 6456 1 1 1 1 1 1 1 1 1 1 132.0768 *132.0775* 132.0775@1.773305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 132.0775 *132.0779* 132.0779@3.554182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4849 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0779 *132.078* D-Leucic acid + 2.1470613 6969 5019 4911 6035 2177 1 3003 3470 2911 2784 2655 2162 3704 2737 1 1 10308 5574 2318 1 1 2385 1 2315 2110 2233 3116 2655 3469 4621 3581 1 1 1 1 1 1 2679 1339 1 3337 1 6080 5714 1 4405 2663 1 1 1 1 1 2086 1449 1 1 1 2878 1692 1 1998 2461 1 1 1710 2807 1 1 4421 1 1716 2979 1335 1125 1736 2523 1 2302 10265 20855 1 1 1 1 1 1 1580 1706 1 1 HMDB00624 C03264 132.078 *132.078* 132.078@3.121524 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 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 3606 1 1 1 1 1 1 1 1 1 1 132.078 *132.078* 132.078@2.2102664 1 1 1 1 3909 1 1 1 2107 1 1 1 1 1 1 1 1 5764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1130 1 1 1 1 1 1 1 1 1 2530 1 1 1 10231 1 1 1 1 1 1 1 1 1 1 1 132.078 *132.0781* D-Leucic acid + 1.786733 9056 8949 7093 8061 7964 2293 1123 7023 7622 6886 3479 7329 5302 7623 1974 6651 13798 14563 8030 6708 8701 5985 4605 4726 8826 8692 6995 6777 8375 8296 8401 8312 1 3446 5827 1155 6900 6337 7834 5286 6622 5963 6987 8139 10120 6469 3642 4346 8609 7360 5376 5160 5047 4522 5535 4758 10350 3848 1846 4799 8678 7411 7441 6956 5562 5149 5737 6657 7723 7110 1064 5863 5693 6178 5031 3445 7217 7641 48225 49291 7746 7097 1 5874 5100 6443 8343 7153 2731 1 HMDB00624 C03264 132.0781 *132.0781* 132.0781@3.517969 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 1 1 1 1 1 1 1 1 1 1 1 1 132.0781 *132.0783* 132.0783@2.6602616 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 1 1 1312 5979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5085 2776 1 1 1 1 1 1 1 1 1 1 132.0783 *132.0786* 132.0786@3.1863246 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1621 1 1 1 1 1 1 1 1 1 1 132.0786 *132.0789* D-Leucic acid 8135 8466 1640 1 6176 4226 5345 1 1 3565 7567 2032 1 3931 6006 1 1 2874 3490 1066 5388 8356 1170 4166 1 3336 12700 14669 2318 1 2548 4301 3802 3147 2677 3435 4745 6056 4972 4591 1277 3360 3984 3936 2738 6136 2656 3092 5342 5507 1 1 3849 1597 3780 3328 5278 3951 5956 1 5084 5404 5165 5047 3401 3462 4407 1693 5590 6441 4497 2358 6558 7297 1 3403 1555 3829 2937 3609 1 3979 1 1186 4076 4394 3517 4066 6135 8265 HMDB00624 C03264 132.0789 *132.0805* 132.0805@1.2152061 1 1 6388 1897 1090 1 1 1464 1279 1248 1 1932 1991 1526 1 2567 1 1 1 2485 1 1 1 1 1492 1995 1 1 3702 1 1 1 1 1 1 1 1 1 1825 1224 1 2038 1468 1 1 1 1 1047 1 1 1 1 1 1 1 1761 1 1 1239 1 1 1 1 1 1 1 1 1 1303 1 1 1 1 1 1 1 1 1 3437 1 1 1 1 1 1 1 1 1 1 1 132.0805 *132.082* 132.082@2.3206165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 132.082 *132.0839* 132.0839@1.6021734 1 1 1350 3653 1 1 1 1 1112 1 1 1341 2106 2947 1197 3358 1 1 1 1419 1 1 3802 1 1 1 1 1 4452 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 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0839 *132.087* 132.087@1.5638343 1 1 1 1 1 1 1 1 1 1 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 1559 1 1 1 1 1 1 1 132.087 *132.0884* 132.0884@2.2553244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 4326 6933 1 1 1 1 1 1 1 1 1 2252 1 5328 2884 2929 1 1 1 1 1 1 1 1 1 1 2558 2562 3907 3331 1 1 1 1 1 1 1 1 1 1 1 1 4052 3323 1 1 1 1 1 1 1 1 1 1 1 1 2013 1585 1 2960 1 1 4485 1 1 1102 132.0884 *132.0899* 132.0899@2.2848594 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 2960 2398 1 1 1558 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 1 1 1 1 1 1 6419 1 1 1 1 1 1 2287 132.0899 *132.0914* 132.0914@2.2359507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9909 6313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3753 132.0914 *132.094* 132.094@1.546962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1522 1 1 1242 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 1 132.094 *132.1254* 132.1254@8.254042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1583 1 1 1 1 1 1 1 1 1 1 132.1254 *132.9515* 132.9515@11.041903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 132.9515 *132.9516* 132.9516@3.2438698 1 1 1 1 3521 1 1 1 1 1 4443 1 1 3782 1 1 1 1 1 1 1 1 1 1 2949 1 1 2661 1 1 1 3530 4544 1 1571 1 1 1 3276 1 1 1 1 1615 3846 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 1 132.9516 *132.9517* 132.9517@1.9644787 1 3741 4328 5585 1 1 3074 1 2823 1 1 6131 4551 5046 4591 2790 13419 12690 3710 2148 3537 1 3473 2888 10672 1 3263 1 1 1 3488 5754 1 10650 4205 1 1 5479 6914 6865 1 1 1 3267 6789 3042 10902 1 1 3182 1 9859 6088 8030 10855 11598 4889 2552 13341 3693 5123 2210 6983 4025 4605 1998 5951 2608 3171 1 2214 6367 1 5366 2828 3799 1 11219 5556 1 3574 2870 4661 6589 4610 4582 3898 10649 7509 1 132.9517 *132.9517* 132.9517@3.9120846 1265 1853 1690 2419 1283 1 1 1 5096 1762 5377 1180 1 1 1 1 1 1 1740 1 1 1 1293 2010 1 2755 1 1 1 1 1 1994 1467 2790 5895 1 6177 2860 1 2116 1 3294 1 2402 1 1118 1941 5900 1290 1 1 1 1 1 1 1 1 1 1 4994 1 1 1 1107 1 1 1 2438 2705 1272 1 1678 1 1 1 1 1 1778 1 1 1 1509 1 1824 1 1 2347 1 2399 1 132.9517 *132.9517* 132.9517@3.1297076 1 1 1 1 1 1 1 1 1 1 1727 1 1 1 1 1 1 1 1 1 1 1 1 4182 1 1 1 2084 1 1 1 1 3679 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 3970 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 1 132.9517 *132.9518* 132.9518@3.1857314 1703 1 9167 1 2896 1 1830 1 1 1 1001 2961 1 1105 1 2579 1 1 1 1 1 1 1 1511 2418 2916 1 2066 2231 1 1 6381 1823 1 2132 1620 7977 2280 4637 6188 2655 1 8228 1273 1249 3812 1 1080 1 1 1 1 1 1 1 1 1742 3994 1 1 1 1 1 1 1 1 1 1 1871 4688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9518 *132.9518* 132.9518@1.939071 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2919 1 1 1 1 1 1 6259 1 1 1835 1 2415 5328 1 1 1 1 1 1814 1 1 1 5768 1 1 1 1 1 4652 1 1914 1 2538 1827 1 1 1 132.9518 *132.9518* 132.9518@4.0743217 1 1 1956 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 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 1 132.9518 *132.952* 132.952@11.21365 1 1 1213 1 1693 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 3378 1 1 1 1204 1 1 1 1 1 1 1 1626 1 1 1355 1329 1 1 1 1 1 1 1 1886 1 1 1 1 1 1 1203 1 1 1108 1 1 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1 1 1 132.952 *132.952* 132.952@1.8850758 1 5960 3964 1 1 1 1 1 1 1 1 1 1328 1713 1 4680 1 1 8380 1 6393 1 1600 5821 1 1 1 1 1 1 8234 1 1 1 1 1 1 1 2656 2459 1 1 1 8431 2258 1 1 1 1 3155 1 2557 1829 1 2084 1 1 1 1023 2747 2402 2224 3265 3151 3065 2256 1838 6755 1 1 4243 3650 1 1 2565 2748 1 1 1224 1 1579 3618 4653 1352 5080 1493 1585 1 1 1 132.952 *132.9521* 132.9521@1.9689342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 4647 1 1 1 132.9521 *132.9522* 132.9522@3.3152032 1 1 1 1 1474 1 1 1 1 1 2579 3779 1 4974 1 1 1 1 1 1 1 1 1 1 2998 2190 1 2851 4425 1 1 1 1 1 1218 3453 1 7604 1 1 1 1 1 6951 1142 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.9522 *132.9523* 132.9523@11.564171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1656 1 1 1 1 1013 1 1 1 1088 1 1 1 1 1 1749 1903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 132.9523 *132.9524* 132.9524@3.9617093 1 1 1517 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1457 3338 1 1 1 3384 1 1 1 1830 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 1017 1 1 1 1 1 1 1 1078 1 1 1 1 1 2091 1 1 2050 1 1195 1 132.9524 *133.0242* 133.0242@3.9816658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 2146 1 1 1 1 1 1 1183 1 1918 1933 1 1 1289 1347 1 1 1111 1 1599 1352 1244 1 1333 1174 1003 1 1326 1995 2003 1 1449 1334 133.0242 *133.0531* 133.0531@2.1953912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5739 4986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0531 *133.0535* 133.0535@0.79232204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1483 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 2469 2273 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1967 1581 1 1 133.0535 *133.055* 133.055@1.2120506 1 1 1 1 1456 1429 1 1 1 1 1 1 1861 1585 1 1 1776 2145 2569 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1042 1 1308 1088 1 1 1 1 1 1525 1438 1 1 1 1 1 1 1148 1101 1 1 1 1 1054 1224 1 1 1590 1219 1 1 1 1100 1 1 1087 1197 1397 1538 1 1 2621 2386 1136 1067 1 1172 1 1022 2455 2630 133.055 *133.0616* 133.0616@1.667574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 133.0616 *133.0644* 133.0644@4.56727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 133.0644 *133.0657* 133.0657@3.6638813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14615 12476 1 1 1 1 1 1 1 1 1 1 133.0657 *133.0659* 133.0659@3.1485567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27422 27242 1 1 1 1 1 1 1 1 1 1 133.0659 *133.0733* 133.0733@3.294991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10343 39469 1 1 1 1 1 1 1 1 1 1 133.0733 *133.0895* 133.0895@1.2063035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.0895 *133.1093* 133.1093@3.3506844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1093 *133.1099* 133.1099@6.053612 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8279 1 1 3679 1 6405 1 1 7787 1 1 1 1 1 1 1 2845 1 1 1 1 1 1 1 1 4806 1 1 1 1 1 1 2579 1 1 1 1 1 12363 1 1 15107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1099 *133.1099* 133.1099@6.505623 1 1 1 1 2773 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1099 *133.11* Bis (2-hydroxypropyl) amine + 5.7725563 20381 1 1 31066 5794 1 4086 1 1 1 5006 1 4655 1 1 1 1 1 1 23783 1 1 1 1 1 1 11561 12176 1 1 1 1 18012 2502 9599 1 15056 1 2528 6542 1 3933 20810 1 5434 1 16646 1 1 2293 36203 23005 1 5709 1 1 7648 1 5403 1 1 1 1 11134 1 2289 4738 1 4884 7146 1 4061 2516 1 4537 5785 1 1 1 1 6282 5434 1 18253 1 16729 1 1 1 1 133.11 *133.1101* 133.1101@5.2562146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1101 *133.1102* Bis (2-hydroxypropyl) amine 69212 63927 59869 62407 65510 70584 66597 66509 67435 66827 64699 81224 71520 64514 63686 66870 77962 64678 66533 71368 66532 73249 68390 70466 66348 73768 86061 84741 82938 83815 62464 71226 67305 85729 69556 71166 62869 85423 63402 70810 74234 68525 67813 64917 147187 120701 142917 122316 121492 127774 144040 112569 117568 119053 127542 111176 149793 124548 113782 114678 76211 90577 72649 90869 71940 67692 76914 69897 78785 70677 68605 78182 77990 72173 77423 81490 83467 72379 69011 70734 72503 95300 94860 79898 70538 77640 74775 73679 69726 96088 133.1102 *133.1102* Bis (2-hydroxypropyl) amine + 5.2876635 215674 10530 229763 21440 16204 1 1 126823 1 1 1687 1 2821 1 1 1 1 8170 1 152935 1 1 1 1 1 4299 170310 125858 1 164601 9908 1 30867 1 1 1 6427 1 16878 1 1 13336 14109 12906 1 1 1 1 1 9038 4776 1 1 1 1 1 1 10971 4506 1 1 1 1 104449 93596 3410 1 16888 2997 22065 75185 1 1 1 80661 77183 1 1 1 4560 1 17057 50840 19617 1 64958 17435 1 1 1 133.1102 *133.1102* Bis (2-hydroxypropyl) amine + 5.4374814 172082 163275 158308 161007 5632 145577 125318 124063 133561 137116 148716 145324 144310 141657 132464 129692 129330 129079 151884 153454 117605 118716 116805 109936 128969 125462 156701 154589 146953 141610 16294 15945 19857 29379 17513 14817 10242 19996 30380 30642 18169 13768 27306 29357 27168 19128 12878 15833 16325 10357 9441 64744 1 57436 28104 31874 43209 46113 52016 42728 66011 65736 57877 60266 60037 54200 53866 53300 16182 43496 50084 44875 42898 41366 48088 46073 38147 37376 43214 43362 23022 18431 36291 18115 48976 50718 41074 44654 34128 33665 133.1102 *133.1102* 133.1102@5.5337687 1 1 1 1 149195 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14926 15065 1 1 1 1 1 1 1 1 1 1 14072 1 1 1 1 1 1 1 1 1 1 1 3066 1 1 1 1 1 1 1 5444 1 1 1 1 1 1 9400 1 1 43230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4899 1 1 1 1 133.1102 *133.1102* 133.1102@5.1566763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5172 1 1 1 1 1 1 4457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1102 *133.1103* 133.1103@5.0706267 1 1 1 1 1 1 1 1 1 1 4451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9486 1 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11314 1 1 1 1 1 1 22961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.1103 *133.1104* Bis (2-hydroxypropyl) amine + 5.586841 55739 265271 14209 219876 224369 182348 209771 81743 204199 186065 228020 220500 226484 217338 179559 206494 213635 217073 242160 68902 186153 173732 174401 180721 203341 220901 43791 93193 253077 102453 1 61012 17224 70793 61289 58607 57358 56060 68716 63102 3202 64751 39809 83251 109419 103387 99700 101511 1 102192 52797 25946 80001 29035 105823 98431 118094 121238 119711 117825 133223 131656 129414 29588 21133 94477 112035 100165 90089 97954 17852 76388 104997 92071 17136 30544 89939 91861 91357 94651 73465 74377 18846 32995 102416 24240 88439 90467 87711 98252 133.1104 *133.9949* 133.9949@4.3474894 1 1 1 1 1 1 1 1 1 1 1 1431 1525 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1548 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1129 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 1 133.9949 *133.995* 133.995@5.673626 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 2832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 2400 2286 2925 1 1 1 1 1 1 1 1 1 1 3348 3391 2124 1 1273 1 3605 1039 1 1 1 2588 4663 3033 3377 133.995 *133.9952* 133.9952@4.9508867 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1 1 1 1 1456 1 1 1 1 1029 1 1 1 1 1 1 1 1 1221 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1484 1 1 1 1 1 1 1 2650 1 1 1 1388 1 1949 1 1 1 1 1 1767 1525 1029 1 1 133.9952 *133.9953* C5 H7 Cl S + 5.627189 2761 3559 2331 1 1395 2287 1357 1408 2066 1626 1148 1 1 1363 1652 1 1 1 1 1 1735 1123 2290 1501 2454 1 1561 2827 1696 1 1434 1 1 1 2117 2223 4522 1131 2976 1 1168 1169 1173 2878 1 3891 1 3426 1 1534 4540 3018 3915 2815 1 1057 1912 1949 1 4589 4232 3426 1284 2406 1144 3936 3719 3745 2103 1754 2370 3649 3139 2641 1925 1051 2419 1024 3663 2240 2639 1 1765 2985 4018 3376 1206 1305 1183 1129 133.9953 *133.9953* C5 H7 Cl S + 5.822532 1570 3346 1134 1329 1 2246 1875 1502 2104 1407 1564 1 1700 1682 1188 1634 1900 1642 1917 1574 1434 2506 1 1442 1 1532 1614 2061 1371 1057 1221 1 1909 1624 1723 1753 1722 2555 1685 2666 1774 1354 1697 1895 1833 2246 1 1894 1300 1 3482 2351 3072 2546 1849 1472 2596 1839 1667 3834 2652 2849 1296 2749 3079 2948 1943 2816 2330 2753 2833 2673 1 1 2511 2795 2801 2165 3567 3453 2756 1946 2323 3298 2034 2431 3678 3418 4169 3440 133.9953 *133.9955* 133.9955@4.8452682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133.9955 *133.9958* C5 H7 Cl S 1474 1 1306 1244 2189 1 1 1787 2081 1534 1038 2186 1536 1510 1188 1 1 1 1673 1859 1546 1511 1761 1517 2071 1972 1966 1 1306 1920 1 1 2394 2038 1 1 1 1944 1410 1680 1378 1536 1184 2714 1216 1170 1725 1366 1739 1514 1765 1799 1363 1346 1194 1450 2895 1744 1527 1598 1656 1923 1606 1505 2808 2198 1807 2553 2027 1 1 1487 1908 1919 1 2581 1013 2348 2456 1969 2185 1509 1 1698 1519 2430 2100 1903 2022 1 133.9958 *134.0579* 2,3-Dihydroxyvaleric acid + 2.514446 14244 14426 15556 14731 9983 11088 16268 16836 14195 12825 13483 16167 11941 13048 14384 12773 13106 13242 20768 21848 13595 13174 18754 19230 10040 10678 11701 11060 14266 12891 15728 14479 14547 14459 16923 16024 27581 27233 18887 19691 20968 20048 16705 15415 14561 16964 19757 19862 13200 12994 21682 21525 23044 21742 14758 15333 10995 10806 24322 22647 34277 33886 27125 26276 14277 14489 12092 12300 18166 18077 33189 31768 13584 12430 14077 14223 27790 27956 22517 22503 26065 25525 20328 20765 33932 37152 22319 22533 30269 29203 HMDB00421 134.0579 *134.058* 2,3-Dihydroxyvaleric acid 1 1 2448 3285 3345 1 1 1 1 1 2491 4187 1 1 2504 2292 2762 1 1 3003 1 3366 1 3345 2864 3795 3291 3128 3293 1 4688 3594 1 2987 2062 1 1 1 3386 3349 1 4180 1 1 1143 1 1 1 1682 1869 2021 4438 1 3519 2008 4027 1 1 3712 1 4545 4304 2653 3974 3774 3913 1 1 3005 1 5030 4590 1 1 3144 3057 4016 4359 3447 5077 5453 1 3674 2857 4060 5729 3796 3126 5673 1 HMDB00421 134.058 *134.0588* 134.0588@13.130008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1367 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0588 *134.0589* 134.0589@0.9107279 1 1 1 2181 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 2936 3918 1 1 3162 1 1 1 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 1 1769 1 1 1 1330 1 3409 1 1 1 1 1 1 2243 1 1 1 1 1 1 1 1 1 1199 1 1 1932 1 1 1 1664 1 1 134.0589 *134.059* 134.059@0.76826817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3298 1 1 1618 1 1 1 1 1 1 134.059 *134.059* 134.059@1.775905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3643 1 1 1 1 1 1112 1 1 134.059 *134.0591* 134.0591@3.1973364 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 1 1 1 1 1 1 134.0591 *134.0592* 134.0592@0.66512716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 1 1 1 1016 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 1 134.0592 *134.0593* 134.0593@3.9010472 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 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 1 134.0593 *134.0594* 134.0594@2.9696507 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 134.0594 *134.0662* 134.0662@1.1715338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 1 1 1 1 1 1 1 2176 1 2722 1 1 1 1 1 1 1 1 1 1 1 1 1341 1490 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 1340 1 1 1 1 1 1 134.0662 *134.072* 134.072@1.1170185 1 1 1 1 1 1 10173 1 9649 10680 7122 1 1 1 1 1 1 1 6418 1 1 1 1 1 1 1 2706 1 1 1 1 9761 1 1 1 1 1 1 1 1 1 1 1 1 4579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.072 *134.0721* Phenylmethyl methyl ketone 15207 5012 14252 14225 16648 15623 4719 15538 5720 5430 5105 13561 12688 13454 17238 17328 15924 17496 9544 17310 17383 18804 13248 13595 16905 14336 18838 17245 16907 14813 17452 5885 18056 19077 14577 11319 15063 14915 13655 14228 17473 20301 12301 12818 7435 4903 13047 12636 15032 15937 15831 17093 16951 16021 15054 14944 4359 11871 20148 15789 15994 15565 18505 17011 17124 17049 15398 10637 18112 16656 4994 12711 12911 13446 11275 12124 16489 16874 14463 14779 12625 12482 16542 14742 12751 12397 13372 4219 11862 12817 134.0721 *134.0752* 134.0752@1.419408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 134.0752 *134.0859* 134.0859@1.3505557 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 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0859 *134.0932* 134.0932@1.3168267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10807 7407 1 1 31737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0932 *134.0937* C6 H14 O3 11307 9278 10318 9738 11944 11135 7860 9543 13840 14452 17036 52901 11460 13259 14501 12847 5238 7396 12110 1058 8705 18561 15779 15122 14538 15987 14537 14707 11388 12935 7305 10904 9714 12203 7792 10236 9289 4557 11237 12147 9741 10417 8526 12717 8877 6951 4946 6836 1 1 18809 17679 15643 13828 12768 13115 10259 10511 72700 78334 1 9924 9888 28177 13035 13435 17485 18243 1 1 13680 15113 15727 14794 19352 18947 13233 17208 13773 21037 8380 9721 1218 14375 19567 20951 15364 17116 12797 15494 134.0937 *134.0977* 134.0977@1.212532 1 1 1 1 1 1 1 1 1 1 6607 1 1 1 1 1 1 1 1 10084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13245 1 1 1 1 1 1 1 134.0977 *134.0981* 134.0981@1.246862 1 1 1 1 1 1 1 1 1 1 1 1 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 3027 1 1 1 1 1 1 1 1 11288 13967 1 1 1 1 1 1 1 1 10726 1 1 1 1 1 1 1 1 1 12072 11812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.0981 *134.0985* 134.0985@1.2923294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 134.0985 *134.1046* 134.1046@1.4488188 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.1046 *134.1081* 134.1081@1.3725522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4204 4665 1 1 1 1 1 1 1 1 17399 15757 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 1 134.1081 *134.112* 134.112@5.6552896 1 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 1137 1146 1 1 1 1 1 1 3643 1 1 1 1 1 1 1 1 3285 1 1 1966 1 1 1438 1 1515 2036 1 1 2741 2561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.112 *134.1121* 134.1121@5.010849 1 1 2092 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 2159 1704 1 1212 1217 1012 1 1749 1 1 1 1 1 1138 1 1 1586 1 1 1306 1 1 1 1 1 2350 1 1 1603 1 1 1 1 1 1 1 1 1 1 134.1121 *134.1126* 134.1126@4.9625463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1949 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 134.1126 *134.1128* 134.1128@5.625885 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134.1128 *135.0152* 135.0152@1.109881 1 1 4756 4332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 2582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 135.0152 *135.032* C7 H5 N O2 161111 162515 290816 291747 378569 379111 330725 328698 353943 349184 606731 601747 292935 297200 239803 244975 305802 306980 500088 519034 164390 164933 203066 201521 245733 250597 844086 851492 217685 219513 136738 129871 793509 778375 269582 271299 68558 75435 556469 557435 253814 248651 354836 351321 344503 342660 164040 166923 729217 735339 521942 526159 480030 471358 309348 306135 704964 725860 104939 99370 277972 270508 690460 687384 623421 629728 847333 859346 266473 272077 581937 591012 331829 332863 441726 435037 224186 225327 326205 322482 588362 591271 506630 496527 487186 484865 360171 356087 237857 224942 135.032 *135.0324* 135.0324@2.463312 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 5940 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 1 135.0324 *135.0412* Creatinine + 6.9548173 4284 4508 1 5257 4915 1 4819 5055 6299 1169 5911 5343 5063 4803 5654 5611 5734 4615 5518 5096 5272 5095 5246 5666 5635 6066 5826 6205 4605 4681 5805 5596 5591 4933 5252 5571 4398 5087 6542 6861 5337 5533 5658 4653 6489 5825 4360 4621 5076 4197 9115 10019 6923 7263 6278 6000 6296 6081 4978 5071 9244 8468 5852 6025 8116 7598 6616 6501 6368 5976 1 1 5294 5765 7268 7446 1 11794 10989 9619 11343 1 10756 10491 10888 9940 9584 10351 9020 7885 HMDB00562 C00791 135.0412 *135.0415* 135.0415@4.288106 6318 1 1 1 1 1 1 1 1 1 2889 1 1 1 1 1 1 2440 1 1 1 1 1 1 1 1 1 1 4741 3638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 10864 1 1 1 1 1 1 1 1 1 1 1 1 135.0415 *135.0438* 135.0438@4.9847803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 2920 2281 2614 1 1 1717 1 1950 2347 1 1 1 1 1 135.0438 *135.048* 135.048@3.8818145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3369 3855 1 1 1 1 1 1 1 1 1 1 135.048 *135.0532* 135.0532@3.0741665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 135.0532 *135.0538* 135.0538@2.055418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 135.0538 *135.0539* 135.0539@3.543946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5263 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13437 14576 1 1 1 1 9269 1 1 1 1 1 135.0539 *135.0541* Adenine 14186 14742 13910 11860 13649 11439 17318 17376 15225 15538 12062 12070 16425 15920 17302 17549 15498 14701 15751 15881 13666 12301 14930 13521 24063 22473 18667 17829 16952 18784 4791 1060 14645 15076 25388 23761 21342 18167 19345 20564 19273 20061 18099 18009 27576 29196 22469 23547 16629 14805 16661 18343 25059 24027 20551 22657 26559 25027 24519 24539 31950 31496 17580 18735 30943 30374 24246 21648 19616 19474 16810 17015 19602 20313 20316 21336 18636 19389 20733 20619 19466 16956 20048 18054 5571 13253 17769 16161 24245 26017 HMDB00034 C00147 135.0541 *135.0542* 135.0542@2.9537072 1568 1 1 1 1 1 1 1 1 2168 1 1 1 1769 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1913 1 1 1 1 1 2194 1881 1 1 1 1 1 1309 1 1 1 1 1 1 1269 1 1 1 1 1311 2575 1 1 1 1 2878 1784 3238 1450 1 1 1 1 2491 2615 1581 1 1 1727 1 3263 1 1 1 1 1 1 135.0542 *135.0549* 135.0549@3.7209427 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 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 1564 1 1 1 1 1 1 1 135.0549 *135.0578* 135.0578@1.382617 1 1 1 1 1 1 1 1 1 1 1 1 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 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 4443 1 1 1 1 1 1 1 1840 1 1 1 1 135.0578 *135.0629* 135.0629@1.4192611 2601 4269 1 1 3238 3284 3831 1894 5362 4585 6302 6812 4100 2895 5028 6653 4798 5327 8053 1 1 4558 4014 5802 3069 3730 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 1 1 1 1 1 1 1 1 1 1 1 2650 1 1 1 1 1 1 1 1 2456 3812 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 1 135.0629 *135.064* 135.064@5.8427625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 135.064 *135.0652* 135.0652@1.2689328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 135.0652 *135.0665* 135.0665@2.2700074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6002 1 1 1 1 1 1 1 1 135.0665 *135.0669* 135.0669@2.1836736 1 1 13169 8636 1 1 1 1 1 1 1 1 5202 1 1 1 1 1 1 1 1 5119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11450 10998 1 1 11959 11717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18148 13913 1 1 1 1 1 1 1 2108 135.0669 *135.0674* 135.0674@5.82709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 135.0674 *135.0797* 135.0797@1.2144352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 135.0797 *135.0872* 135.0872@1.212357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2834 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0872 *135.0946* 135.0946@1.227993 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0946 *135.1301* 135.1301@2.3759665 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 3431 1 1 1 1 2556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3621 3105 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 4452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.1301 *135.1389* 135.1389@4.045926 4403 4337 4474 4911 3626 4089 4452 4318 4116 4686 5186 4829 4326 4606 4368 4449 3915 5015 5510 6220 4285 3674 5263 4432 2690 4310 4531 4035 4178 4259 1 5731 5973 5294 5801 4914 6853 7817 6228 5412 5968 5416 5188 3854 4267 3125 3539 5350 4074 3766 3823 3408 3894 4019 3331 3477 4074 3900 5702 5104 4193 4813 6271 6174 3727 3820 5094 4118 5609 5860 3625 4457 4094 3988 4325 3804 3978 4260 4077 3766 3981 4426 2978 3623 3887 4164 3610 3909 4736 4554 135.1389 *135.1389* 135.1389@4.083402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.1389 *135.176* 135.176@4.0398893 1 1 1 1 1 1 1 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 1240 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 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 1 1 1 135.176 *136.0284* 136.0284@1.4624536 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0284 *136.0354* 136.0354@2.3676624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0354 *136.0375* 136.0375@2.954341 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0375 *136.0382* Hypoxanthine + 2.8924232 108323 107099 72803 72004 58689 54850 63737 76588 98530 98064 67434 71804 47453 64428 50042 51739 62403 65853 51842 60034 58799 52963 79931 81037 50974 50761 60788 75576 59673 52229 56365 74769 108372 99835 63188 59847 60007 60690 87322 93605 96585 106885 70553 73099 52993 53194 51718 53876 71185 67383 241937 223639 237268 222161 186991 184206 120979 128085 112066 123714 272440 268726 82872 81887 222441 210252 185128 182660 108115 112040 227783 230356 82963 79666 209543 209643 234853 231019 259700 257396 243703 242251 202493 204892 278496 279458 262050 264910 184001 164747 HMDB00157 C00262 136.0382 *136.0383* Hypoxanthine + 2.7886465 19598 18829 1 1 8429 13553 23918 15997 11314 6281 16869 16344 16697 17032 22175 25368 23979 25566 17549 16004 13294 15763 26224 18625 17744 9929 1 5460 12809 16324 9605 13459 7350 9853 17926 16079 18707 21432 1 12266 1 1 10918 7298 11696 12454 13733 14445 13957 14888 1 1 1 1 1 1 1 1 1 1 1 1 1 11377 1 1 1 1 9552 1 1 1 10313 10505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 HMDB00157 C00262 136.0383 *136.0389* Hypoxanthine 1363501 1361943 796032 800210 953941 944671 1124085 1136611 821615 826177 1257122 1268183 1047921 1047837 1435542 1434340 1089614 1088722 1070813 1090372 1080291 1080730 1712463 1711222 856503 850400 553352 558946 1010927 1013885 917777 893827 755916 752501 1202470 1180677 1475943 1470871 1703379 1747251 1490614 1499090 609680 615433 887779 882289 1240643 1245231 1335781 1333278 843700 849884 1317903 1305174 1754305 1736107 759704 763393 1567830 1588460 1306259 1311597 1207736 1211971 1043182 1042866 1384472 1395689 1010046 1012784 1198739 1199771 1072351 1058565 642587 638214 841342 843784 1934031 1932919 1042302 1046815 1064880 1042926 1453613 1456674 609340 614686 1039964 1031253 HMDB00157 C00262 136.0389 *136.04* 136.04@2.318393 1 1 1 1 1 1 1 1 1 1072 1 1 1 1655 1396 1 1 1 1 1 1 1 1027 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 1 1 1 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3119 1 1 1 1 1 1 1048 1 1 1 1 1 1 1318 1 1446 1 1249 1 1 1 1 1 1 1 1 1 1 136.04 *136.0426* 136.0426@2.070357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0426 *136.0449* 136.0449@4.1747756 1 1 1 1 1 1 1681 1 1305 1 1 1239 1 1 1 1 1 1 1876 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 1390 1 1 1 1 1 1 1 2201 1 1 1 1 1 1 1890 1 1 1 1 1 1 1 1 1 1 1 1 2179 1 1 1 1 1 1 1 1 1 1229 1 1 1 1 136.0449 *136.0464* 136.0464@2.068183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 136.0464 *136.0541* 136.0541@1.8678861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0541 *136.0559* 136.0559@3.5043647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0559 *136.0577* 136.0577@2.205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 136.0577 *136.0613* 3-Amino-2-piperidone + 5.8495975 1814 1899 2397 2556 1009 1137 1907 1790 1438 1687 2665 2668 1 1606 1960 2119 1707 1828 1955 1 2642 2772 1026 1070 1 1 1685 1530 1 1295 1764 1537 1464 1649 1850 1836 1946 1963 2613 1 1 1955 1104 1465 1251 1010 1649 1296 1 1 1882 1650 1277 1610 1624 1 1216 1576 1 1 1 1 1 1 1 2233 1 1 2244 2323 1 3484 1606 1537 1816 1926 3180 1 1 2219 1 1 1895 1 2725 1 1 1 2062 1344 HMDB00323 136.0613 *136.0616* 3-Amino-2-piperidone 1746 1551 1293 1771 1757 1505 1 1545 1823 1457 1775 1 1 1 1581 1524 1 1202 1717 1 1698 1 1700 1 1578 1309 1391 1 1 1440 1 1284 1337 1678 1582 1266 1 1 1502 1552 1 1143 1191 1 1023 1 1234 1 1149 1 1591 1568 1 1059 1672 1676 1674 1 1 1 1905 1 1354 1 1983 1694 1400 1987 1679 1 1910 1541 1242 1683 1354 1722 1500 1738 2110 2266 1892 1879 1791 1534 1993 2129 1457 1652 1663 2080 HMDB00323 136.0616 *136.063* 136.063@1.5059475 1 1 1 1 2063 3748 1975 1 1 1 1434 3064 1 1 1 1 1 1864 1 2843 1 1 2438 1357 1 1 1 1 7187 3950 1 1 2288 5697 3521 2636 1 1 1 1 5539 1 1 1 1 1 3288 2750 1 1170 1 1 1215 1 1 1 1 1 1 1 1580 1 1 1 1043 2400 1 1 1 2173 1 1 1368 2342 3973 5558 2396 1827 1 1 3495 1 1 1 3774 1062 1 1 1 1 136.063 *136.0635* n-methylnicotinamide 6782 6555 3704 4031 12687 11569 8837 8741 9199 9232 22336 21732 8864 9244 7906 7561 12297 11754 10100 9967 2882 2707 6531 5528 9129 8395 9090 8943 11109 11002 5532 4795 8143 7950 10196 9616 7158 6932 13396 12012 3532 3990 6327 7603 19237 19343 8684 8174 5485 5767 8639 8789 10884 12588 17704 18648 4688 4942 8835 9125 33067 32872 7430 7461 7524 7010 7995 7651 4821 4603 12526 12875 13166 11449 6844 6883 12074 11915 8737 8476 14352 14681 35375 33053 12715 14102 11641 11374 10545 10340 136.0635 *136.0636* 136.0636@1.5546765 1 1 1 1 1327 1 1085 1 1 1 1 1 1 2716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2392 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 1455 3462 2137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0636 *136.064* 136.064@2.2053752 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.064 *136.0646* 136.0646@1.6094579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0646 *136.0687* 136.0687@4.265643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 136.0687 *136.0688* 136.0688@2.2100825 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 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1199 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1 1 1023 1 1 1 2409 136.0688 *136.0749* 136.0749@4.2672033 1 1 1386 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0749 *136.0807* 136.0807@1.2122021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0807 *136.0871* 136.0871@1.1757956 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 1223 1 1 1 1 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 136.0871 *136.0939* 136.0939@1.2089043 1 1 1 1 1 1 1 1 1 1 1 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 1 136.0939 *136.0971* 136.0971@1.209864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1191 1 1 1 1 1 1 1 1 1 1 1 1 1393 1310 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.0971 *136.1149* 136.1149@1.2090757 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 136.1149 *136.1233* 136.1233@1.1686246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2672 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 2704 2974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 136.1233 *136.1362* 136.1362@2.6588998 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 9682 1 1 21908 20660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18997 18816 1 1 1 1 1 1 1 1 1 1 1 1 1 25749 1 1 1 1 1 1 1 1 13129 12935 18691 18551 1 1 25109 25715 26478 24999 1 1 11995 11829 1 24919 136.1362 *136.1362* 136.1362@2.8975189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 136.1362 *136.1366* 136.1366@2.8152735 1 1 17806 18289 23697 22984 1 1 19088 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19579 19446 10996 1002 23780 24614 1 1 16559 16009 1 1 1 1 1 1 1 1351 12276 12572 20474 20681 1 1 1 1 1486 3409 3550 3342 2764 2928 16993 16684 1939 1756 4363 3582 1 1 3303 2678 3112 1 25218 1 2573 3318 1 1 2990 2323 3521 3031 4492 3939 2786 3086 2516 2507 3625 4022 3445 3636 1 1798 136.1366 *136.1761* 136.1761@2.6601994 1 1 4983 1386 1 6358 1 1 5165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5158 4583 2591 3039 6281 1 1 5740 4024 4107 1 1 1 1 1 1 1 1 3411 3208 5727 1 1 1 1 1 5200 1 1 1 1 1 4183 4614 1 1 1 1 1 1 1 1 1 1 7053 1 1 1 1 1 1 1 5350 5336 1 1 1 6977 1 1 1 1 2172 1 1 1 136.1761 *137.041* 137.041@2.9184024 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.041 *137.0413* 137.0413@2.8705916 1 1 1 3064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0413 *137.0447* 137.0447@1.9825124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0447 *137.0456* 137.0456@6.324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 137.0456 *137.0462* 137.0462@1.9878572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1933 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1527 1365 1660 1092 1023 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 137.0462 *137.0471* 137.0471@3.160055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1245 1 1 1 1 1 1 1 1 1 1 137.0471 *137.0475* p-Aminobenzoic acid 5573 5415 7506 7444 3825 3297 9203 9058 6159 6208 18362 18670 10782 10634 1 1 11173 10359 11032 9752 1173 1031 2516 2716 1 1 2498 2423 2117 1699 1 1 4233 4244 8646 9820 1591 1 9947 10424 9579 10359 1757 2232 4897 5110 10735 11564 2077 2694 1 1184 27609 27427 1676 1876 6001 6484 4092 3422 15621 15839 2544 2394 21736 22245 11212 11187 61834 61732 22898 23181 6169 5702 14400 14197 25035 25845 14776 14551 3998 4718 2096 2080 21273 20394 40453 39650 5008 4735 HMDB01392 C00568 137.0475 *137.0476* 137.0476@5.45383 1 1 1 1 21599 22037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0476 *137.0476* 137.0476@5.5198708 1 1 1 1 3966 3491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0476 *137.0524* 137.0524@1.5985583 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 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 1 137.0524 *137.0584* Isoniazid 1 2574 1 1 12330 12918 3983 3426 12589 11385 7122 6654 22991 25701 3939 5377 1 1 4986 4311 5448 5647 8289 8646 1 1 1 3127 7438 7775 1044 3397 7374 7797 4896 3621 1525 2297 3263 3926 9167 8653 1 1 4715 5280 3562 4833 1 1 2697 3545 17884 16420 4270 4796 6692 8100 7450 7216 2731 2331 1 1 7911 6870 1 1 3036 3269 8389 10342 8285 8344 13572 10017 8416 8642 11665 10162 5759 6259 4574 3850 10492 9963 7188 6630 5821 5205 C07054 137.0584 *137.0585* 137.0585@1.3229002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 137.0585 *137.0613* 137.0613@1.4253067 1 1 1 1 1297 1 1 1 1 1 1 1 1 1 1673 1 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 5168 1 1 1 1 1 2971 1 3514 1 8120 7581 1 1 1 1 1 1 1 1 1 2480 6965 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 1 1 1 1 1 1 1218 2499 1 1 1 2101 137.0613 *137.0623* 137.0623@1.4341515 1 1 1 1 1 1 2064 2153 2625 2797 1 1 3347 1 1 1 1 1 1 1479 1 1 1 1 1 1 2899 1 1 1 1 1 1 1 1 1 1 3153 1 3186 1 1544 1 1 1 1 1471 1 1 1 2752 1 1246 1687 1 1 1 1 1408 1977 1 1 1 1 1 1 1 1 1379 1 1 1091 1 1 1474 1 3396 3431 1 1 3272 1 1 1 1 1 1 1 2517 1 137.0623 *137.0735* 137.0735@1.209492 1 1 1 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 1 137.0735 *137.0779* 137.0779@1.4531108 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 1 1 1 1 1 1 1 1 1 1 2827 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 137.0779 *137.0802* 137.0802@1.2714936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 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 1 137.0802 *137.0824* 137.0824@1.393698 1 1 1 1 1 1 1 1 1 1 1 6172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0824 *137.0824* 137.0824@1.6086344 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0824 *137.0827* 137.0827@1.5009531 1 1 1 1 1 1 1499 1 1 1 3602 5083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1 1 1 1 1 1 1600 1 1 1 1 1 1 1 1 1 1 1812 1 1 1236 1 1 1 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0827 *137.0831* 137.0831@1.5506513 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0831 *137.0833* 137.0833@3.1190012 1 1 2668 2836 1 1 1 1 1 1 1 1 3566 1983 1 1 1 1759 1 1 2938 5398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 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 1656 1 1 1 1 1 1 2678 3446 137.0833 *137.084* 137.084@3.1495814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.084 *137.0841* 137.0841@1.2131681 1 1 1 1 1 1 8612 10160 1 1 7295 6704 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 2270 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 4301 3260 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 6771 5625 4075 4260 1753 1933 4084 4639 1 1 1491 1533 1 1 1 1 3749 2093 1 1 2427 2735 1 1 137.0841 *137.0884* 137.0884@1.2166926 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.0884 *137.1157* 137.1157@2.7040756 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137.1157 *137.1198* 137.1198@4.5042295 1276 1 1 1 1 1 1 1 1 1 1353 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1340 1 1 1 1 1 1 1999 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1885 1 1249 1 1 1 1 1 1287 1 1 1 1441 1 1 1 1 1 1 1 137.1198 *137.9947* 137.9947@1.0242178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 137.9947 *138.0425* 138.0425@2.8964388 1 1 1 1 1 1 1 7523 1 1 1699 1 3070 1 1 1 1 1 1 1 4605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3198 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 1 138.0425 *138.0427* Urocanic acid + 2.9059389 1 1 12221 13845 9497 9102 12514 3822 1 1 11395 11625 5172 9180 10849 11203 11756 11703 7468 15427 14906 16658 1 1 1 5642 16137 1 1 1 18249 1 1 1 10186 9052 8731 8142 6431 1 1 1 1 2760 8064 3208 10268 9642 12718 12225 1 16561 1 13421 1 1 1 1 7658 1 16727 15737 13458 13658 1 14223 39474 36618 1 1 3312 1 1 1 1 1 1 1988 1 1 1 1 1 1 1 1 1 1 1 15583 HMDB00301 C00785 138.0427 *138.043* Urocanic acid 7497 7787 16422 16055 5547 6180 6963 6658 5530 5497 12928 11805 5403 6249 6719 6753 10299 10863 3475 3381 13155 12204 2883 2618 5508 4725 10297 9917 7712 8339 14307 14981 8843 8778 3998 4235 8134 7848 18430 18688 7661 7841 6318 6587 10047 9253 17884 17651 17439 17317 8310 8213 11050 11665 22224 23305 7013 7453 7709 8887 18971 20627 6927 6019 14627 15519 4708 5178 12044 12890 8518 8874 10234 10993 11386 10353 10606 11538 17254 18308 17252 18528 15270 15407 8948 9109 6277 9110 17803 18536 HMDB00301 C00785 138.043 *138.0444* 138.0444@3.3221862 1 1 1 1 1987 2054 1 1 2348 2453 2421 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 1308 1 1 1 1 1 1 1 1 1 1 1609 1022 1 1 1 1 2834 2680 1 1 1 1 1 1 2850 2186 1817 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 2163 1 1431 1044 1 1 1 3031 3036 1 1 1533 1 2603 1 1 2258 1 1 138.0444 *138.0445* 138.0445@2.4857862 1 1 1 1 1 2441 1 1 1 1 1985 1574 1 1 1 1 1 1790 2279 2088 1 1 1 1 1 5372 4185 6178 1 1 1 1 3206 4544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2470 2310 1 1 1 1 1 1 2745 3356 1 1 11233 1 1899 2737 2594 3543 6047 7330 1910 1802 1517 2014 1 1 1 5081 1 1 1 1933 1 1441 1 1 3409 3037 1 1 1 1 138.0445 *138.045* 138.045@1.7162257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 138.045 *138.046* 138.046@2.317872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1714 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 1 138.046 *138.0577* 138.0577@2.1698878 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0577 *138.0615* 138.0615@2.1809049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2764 1 1 1 1 1 1 1 1 1 1 138.0615 *138.0646* 138.0646@1.2100459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 138.0646 *138.067* 138.067@2.1578262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 138.067 *138.0708* C8 H10 O2 1 1 1 1 1 1 5628 5532 2308 1506 7697 7956 5266 1 1 1 1 1 1 1 1336 1495 1 1 1 1 1 1 1 1 3966 1 16447 17539 5087 4036 1 1 1 1 1 4625 1 1 1 1 7491 6809 3093 3471 1 1 1 1 1 1001 1 1 1 1741 2712 10855 1 1 1 1 3788 3755 25064 5529 1 11539 26947 26102 1 1 1 1 1 1 1 1 16460 3441 1 1 15896 15241 1 1 138.0708 *138.0726* 138.0726@1.2129697 1 1 1 1 1 1 1 1 1 1 1 1 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 1513 1 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 1 138.0726 *138.0737* 138.0737@3.4674459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2407 1 1 1 1 1 1 1 1 1 1 138.0737 *138.0813* 138.0813@1.209492 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0813 *138.0869* 138.0869@1.1876699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 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 1135 1 1 1 1 1 1 1 1 1 1 138.0869 *138.0945* 138.0945@1.1721683 1 1 1 1 1 1 1 1 1265 1754 1 3673 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0945 *138.0987* 138.0987@1.1570474 1 1 1 1 1 1341 1642 3896 1 1 1 1 1204 1587 2286 1 1 1 1 1 1 1 1 1 1077 1919 1 7186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4817 1 1 1 1 1 1 1 1 1 1 8823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.0987 *138.1033* 138.1033@1.1613648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 138.1033 *139.0579* 139.0579@1.6753396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1240 2446 139.0579 *139.0599* 139.0599@6.391275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 139.0599 *139.0606* 139.0606@6.516186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1140 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1488 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 139.0606 *139.0608* isoamyl nitrite + 6.4072356 1 1662 1 1 2449 2638 1 4654 1 1 1861 2340 1 1461 1 1025 1516 4046 1 1 20409 1 17372 1 1 1515 1408 1 2175 2259 1841 2312 1314 1 1158 22506 1309 1 2561 1 1 1 1 26334 1 1 1928 23672 1 1408 1 24699 25401 24464 22781 1 1826 1 1 1 1 2625 2161 26031 2033 1191 2425 2336 1 1 1 1632 1197 2049 29653 1 4126 1185 1 1113 1294 1 7401 1 1368 1076 6872 3812 2415 2477 HMDB02786 139.0608 *139.0608* 139.0608@6.5968623 1 1 1 1 16378 1 1 1 1 1 1 1 1 1 1 24174 1 1275 1 1 1 1 1 15917 1162 3286 1 1 16942 15688 1 19218 1 1 21209 1 1 1 1 1119 1 1 1 1 1 1 20929 1 1 1094 24473 1 1 1 1 1 1 20605 1 1 1 1633 24542 1 1 1621 28536 26761 1 1 13447 1 28529 27674 1 1 1 1 1 1 1 1 1 1 1102 4777 1 1602 26903 28238 139.0608 *139.0626* 139.0626@6.137245 1 1 1 1 1 1856 1 1116 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1021 2078 1 1 1 1 1 2672 1239 1 1 1 1 1 1 2447 1398 1 1 1 1424 3447 3196 1700 1 1 139.0626 *139.0638* 139.0638@3.397605 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 1 1 1 1 1 3288 2985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 1741 1 1 5171 5048 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 139.0638 *139.0645* 139.0645@3.7682958 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 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3228 3150 2050 1 1648 1 1682 1 1 1647 2181 2824 1 1 1 1 1 1 1 1 1 1 139.0645 *139.0646* 139.0646@1.9154918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0646 *139.0648* 139.0648@1.4864933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 8340 1 1 1 1 1 1 1 1 1363 4957 1 1 1 1 1 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 1420 6914 25353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3084 1 1 1 1 1 139.0648 *139.0649* 139.0649@1.5711402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 139.0649 *139.0722* 139.0722@3.0098522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0722 *139.0737* 139.0737@3.0503962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3973 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0737 *139.074* 139.074@3.4507647 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 2177 1653 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 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 139.074 *139.0757* 139.0757@4.3557725 1 1 1746 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1311 139.0757 *139.084* 139.084@2.4789157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.084 *139.0932* 139.0932@1.4776298 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0932 *139.0934* 139.0934@1.2202168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1676 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0934 *139.0959* 139.0959@1.656277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8520 1 1 1 1 1 1 1642 1 1 1 1 1 2143 2984 1 4349 1 1 1 1 1630 1 1 1 1 1 2531 1 1 1 1 1 1 3079 1546 1 1 1 2109 2929 1 1 1 1 5845 1 5192 5370 1 11304 4471 1 1 1 1 1 1 1 5361 2256 1 1 1 1 2350 2016 3361 1 1 1 139.0959 *139.0966* 139.0966@1.2750235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0966 *139.099* C8 H13 N O 1 1 1651 1829 1 1 7264 7084 4914 4721 21517 27100 9533 8311 1 1 1 1 3181 1785 1 1 1 1 3508 3384 1 1 1 1 1 1 1971 3288 1636 1324 1 1 1 1 1 1 1 1 1 1 1324 2387 8061 7386 1 1 1 1162 3202 3039 1 1 1 1196 1159 1032 1 1 1 1 3367 4051 7252 7466 4916 6507 21239 20565 1 1 1 1 1755 3071 1 1 3637 3051 1 1 5571 4233 1 1 139.099 *139.099* 139.099@1.727375 1 1 1 1 1 1 1 1 1 1 1 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 13849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.099 *139.0992* C8 H13 N O + 1.632579 1 1 1 1 1 1 30878 28379 11186 11216 25455 17794 12509 13112 1489 1 1 1 9573 1590 44675 44391 3651 3669 75605 75469 1 2550 1 1 1 1 1 1 8564 5525 6807 6938 1 1 3888 5868 3939 4792 1 1 1 1 1 1 49251 59899 3346 1 4983 6054 1076 1 1 1 8017 8629 1 1 1 6023 1 1 11254 1069 1 1 1 1 1 1 1 1 3593 6103 1564 1 4591 3984 1 1 1 2561 1 1 139.0992 *140.0304* 140.0304@2.2988753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1221 1 1 1 1 1 140.0304 *140.0328* 140.0328@2.1804984 1 1 1 1 1 1 1 1 1 1453 1223 1182 1 1 1202 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 2347 1 1 1 1 1735 1 1 1 1 1199 1 1 1 1 1 1270 1 1 1 5980 1 1 1 1 1 1 2762 1 1 1 1 1 1 1 3803 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 4536 4844 1 1 3815 1 1 140.0328 *140.0338* C4 H4 N4 O2 1 1 1639 1 3575 1349 3893 2915 1 2023 7653 7261 3051 1 2537 2028 1 1 1 1 1 4203 1 1 1 1 3870 1 1 1 6760 4053 3089 3841 2358 2636 1 1307 1970 1483 1 3766 1 2679 1 1 1 5913 7609 3498 1 1 1532 2226 1 1 1 1 1 1 1693 7620 1 3468 2249 1 1 1 3196 2159 1 4420 5114 1 1 1409 4420 2432 1 1827 1 1 5548 2209 1899 7796 3647 1436 1 1 140.0338 *140.0339* 140.0339@1.5594325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2170 2120 1 1 1 140.0339 *140.0339* 140.0339@1.5166991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7197 1 1 1 140.0339 *140.0343* C9 H4 N2 3910 3702 6944 6364 5706 5309 9998 10011 5206 5119 10720 10485 5910 5822 5679 5625 4551 5506 8077 8899 6995 6276 3072 2907 4289 3836 7935 7031 4004 4014 6105 5667 9789 9955 5363 5111 7412 5157 4516 5106 5020 4917 6345 6970 3478 3237 5422 5319 8701 8088 5989 5441 5431 5052 3490 3495 2507 3220 3216 3000 14646 14237 4955 5080 6590 7081 5477 5270 7088 3483 8157 8645 5585 5398 3672 3305 10078 10267 3726 15128 7116 6632 9520 8908 12937 11657 2223 10522 4490 4261 140.0343 *140.0345* 140.0345@2.2655256 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1038 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 3084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 1 3127 1 1054 1431 1 1 140.0345 *140.039* 140.039@1.5710609 1 1 1 1 1 1210 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.039 *140.0554* 140.0554@1.6492891 1 1 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 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 2399 1 1 1 1 1 1 1 1 1 1 1466 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0554 *140.0589* GABOXADOL 1 1 1 1 1 1 1023 1407 1 1 3454 3332 1 1 1 1 1 1 1978 1148 2867 2822 1 1 1 1 5480 5542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1002 3236 3343 3585 2736 1 1 1 1 3850 4301 3776 3680 1 1 11920 11740 2926 3022 1892 1408 1 1 1 1 4327 4722 4571 4722 3900 3725 1170 1 4493 4580 3156 3461 2222 2308 C13693 140.0589 *140.0592* 140.0592@1.7896965 1 1 1 1 1 1 1117 1 3298 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 140.0592 *140.0833* 140.0833@1.2072449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0833 *140.0838* 2-octynoic acid 2020 1474 1203 9173 6141 1 1758 1717 1869 1285 1733 1717 2282 1 1544 1613 2760 2650 1847 1 2335 2014 4757 1539 1100 4703 3673 1 2723 1996 1 1 1 2078 1278 3438 1 3677 1705 5240 2535 1 2770 3739 1 3025 2418 2276 1 1 1 4276 2123 4167 1098 6608 1301 6434 2897 1 1844 1889 1060 1 5653 6659 1 1 1227 1 1 1 1 1 4644 4094 2109 2352 1915 1 1 1 1 1 4545 3926 1 6506 1 1 140.0838 *140.0844* 140.0844@1.8840084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1945 1 1 1 1 1 1 1 1 1 1 140.0844 *140.086* 140.086@1.1758031 1 4081 1 1122 1334 1308 1 1 1887 1972 1 1 1 1424 4119 1 1 1 1 1603 1 1388 1742 4908 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 5070 1 1 1 2927 1 1 1208 1 1 1 1 2285 8962 3345 1 1 1739 1 1 1 1 1 1 1321 1 2098 2013 1 2046 1401 1 1 1 1059 1 1 1 2914 1 1 1 2465 1 1 1 1920 1 1 1 140.086 *140.0894* 140.0894@1.2189127 1 1 1 1 1 1 2253 2541 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 1483 1376 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0894 *140.0935* 140.0935@1.8972288 2330 2882 1 1 7461 7267 2757 3176 2943 2183 1694 4044 2363 2598 1703 2657 1 1 4264 1405 2809 2706 1526 1438 2017 1720 5204 3499 1 2186 2539 2721 1 3050 2949 2412 4212 3594 4498 4798 1 1 2044 1924 4703 4287 3177 2735 5753 6902 1458 2358 3385 2230 1840 1111 3598 3783 1 1 2673 2044 1 1580 1266 2141 1 3104 10523 10796 3235 1 3650 2234 1 2039 1 1474 1 1 2410 4287 3965 1052 2145 3077 2936 2587 1 1 140.0935 *140.0936* 140.0936@1.9061149 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 1032 1 1 1 1 3106 1 1 1 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 1070 1 1 1 1 1 1 1 1615 1 1 1945 1468 1 1 1285 1 1 2292 1 1 1 1 1 1 140.0936 *140.0939* 140.0939@2.865149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 140.0939 *140.0941* 140.0941@2.873248 1 1 1 1 1391 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 3916 1 1 1 1 2336 2390 1 1 2598 2738 1 2001 1 1 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 1899 2496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0941 *140.0954* 140.0954@1.2274092 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.0954 *140.0996* 140.0996@1.72099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 140.0996 *140.9498* 140.9498@13.128079 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.9498 *140.9502* 140.9502@13.335392 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.9502 *140.9503* 140.9503@12.958802 1 1 1 1 1922 1 1 1 1 1 1 1 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 1 1 1 1 1 1 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 1 140.9503 *140.9508* 140.9508@13.644617 1 1 1 1 1 1 1 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 1113 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.9508 *140.9515* 140.9515@13.242733 1 1 1 1 1273 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140.9515 *141.0172* 141.0172@2.4278593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1900 1 1589 1 1 1 141.0172 *141.0177* 141.0177@2.5402467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 141.0177 *141.0179* 141.0179@2.1138897 1 1 1 2370 1 1341 1 1 1 1 5290 1 1 1 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1 3844 3336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5854 1 1 1 1 1 3083 1 1 2174 2477 1 1 1 1 2857 1 1554 1 1 1 1 1 1 1 141.0179 *141.018* 141.018@2.3654583 1 1 1 1348 1 1 1 1163 1 1 1 1440 1 1 1 1 1 1 1057 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 1267 1 1 1 1 1 1 1 1 1 1 1 8012 1 1 1 1 1 1 1 1 3620 1603 1195 1 1 1 1 1 1 1 1 1 1 1691 1 1694 1 1723 1875 1 1 141.018 *141.0181* Ethanolamine phosphate (Phosphoethanolamine) 1 1 2991 1020 2996 1731 4069 4544 2564 1 2382 4839 1 2962 2804 2440 2188 2602 3388 2033 2228 2809 1 1 1 1 3262 3582 1 1 3567 3442 3556 1811 1 3801 4071 4004 1565 3686 2120 4168 4792 4539 2162 1 2497 4401 1924 1716 2674 3720 3370 3536 2130 1 2167 2292 2218 1139 10114 8670 5120 5361 2158 1127 3532 3822 1 5601 6680 3497 5755 1 2180 1939 7156 6239 2468 2483 1686 4762 6278 2779 8530 1 2727 6244 1 1 C00346 141.0181 *141.0194* 141.0194@2.9256392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1244 1 1 1 1 1 1 1989 1673 1651 1696 1 1 141.0194 *141.0244* 141.0244@1.515069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2066 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 1 141.0244 *141.0248* 141.0248@2.3094335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 141.0248 *141.0252* 141.0252@1.8238351 1 1 11097 11735 4971 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4959 5284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 141.0252 *141.0403* 141.0403@3.973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 141.0403 *141.0405* 141.0405@3.8668146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7172 1 1 1 1 1 1 1 1 1 1 141.0405 *141.0424* 141.0424@2.24903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6080 1 1 1 1 1 1 1 1 1 1 1 1 141.0424 *141.0465* 141.0465@2.2334538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 1 1 1 1 1384 1 1 1 1570 1 1 1 1 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 10199 8964 1 1 1 1 1 1 1 1 1 1 1 4713 1 1 6216 1 1 1 1 1 6896 6185 1 1 1 1 1 1 141.0465 *141.0503* 141.0503@2.2137136 4999 5045 8761 9903 5010 5141 7949 7097 1520 6934 11219 11996 5439 5324 8304 8487 7215 7347 9229 10884 13600 13766 4331 4311 1 5841 13511 13254 2477 3834 11938 11941 18290 5645 3017 7687 1466 8221 7110 6754 5350 5720 7759 5842 5122 4956 7843 7725 18037 17655 8053 7779 6363 5658 4008 3234 7978 1 1577 1 1 1 11559 12086 12597 11038 26851 26327 9959 9528 7219 7735 1 1 11074 10811 1 1 6541 5533 10271 9672 1 1 12961 12631 10766 11337 7231 7081 141.0503 *141.0518* 141.0518@2.2058685 1 1 1 1 1 1 1 1 5476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12231 1 1 6451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8544 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 1 1 1 1 1 1 141.0518 *141.0783* 141.0783@1.6310699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3705 7004 1 1 1 1 1 1 1 2809 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 2296 1 1 5818 2936 1 1 1 1 3464 2606 1 1 1 1 1 1 8178 3356 1 1 1 1 1 1704 13427 1 1902 1 6184 1309 3332 1 3084 1 1 4061 1 1 7935 1 1 1446 2099 1 1 1731 141.0783 *141.0783* Ethosuximide + 2.087851 2097 2085 2947 2869 1 1 2055 1814 1 1 1538 1080 1566 1 2319 2207 2826 2549 1821 4016 1 1 1 1 4794 4837 3317 3031 1 1 1 1 1 1 1233 1839 1257 3043 1 1 6396 5899 1 1 1 2102 2591 1340 1 1 1 1 5283 5188 3565 1926 8389 12351 1 1 1 1 1 1 4695 3998 5122 4334 2605 2500 1 1 9198 8213 2840 2662 1 1 1 1 1604 1 2121 1847 6331 11737 4604 4711 1 1 141.0783 *141.0786* 141.0786@2.088519 1 1 1 1 1 1 1 1 1 1 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 1587 1780 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1709 5215 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 6131 1 1 1 1 1 141.0786 *141.0788* 141.0788@1.5040599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 2022 1458 1 1 1 1 1 5459 1783 1 1 1 141.0788 *141.0788* Ethosuximide 4020 4422 3024 3393 6090 6107 5440 5537 4283 5303 6697 6716 5570 5926 1 1 4678 4813 4042 1 4558 4448 3016 3441 1 1 4556 3268 3242 3919 3974 2936 11663 8455 4703 4926 29515 29333 5721 6101 4907 5701 1 1 2940 3181 1 2571 5143 4695 3957 4103 5719 9914 3882 3185 4997 5688 3413 3886 1 4216 1 1 15773 14510 7790 6672 1 13499 7645 9221 1 4840 3413 5790 3589 8227 7980 4775 5453 4656 1240 8689 7623 1018 2792 1 3921 1463 141.0788 *141.079* 141.079@4.9460826 1739 1 1 1 1 2830 1 1541 1 1 1103 1 1 1 1 1 1 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1812 1 1 1 1 1 1 1 1 1 1 1 1 10647 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 1 141.079 *141.0791* 141.0791@4.820304 8666 1 1 1 1 10634 1 1 1 1 1 1 1 1 5643 1 2207 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 21147 1 1 1 1 4986 1 1 1 1 1 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 1326 1 1 1 1 1 1 1 1 1 141.0791 *141.0802* 141.0802@4.825718 1087 9791 1 1 19598 8312 10187 6110 1 1 17623 1 1 1 5510 15914 5008 3808 1115 1 1 1 4489 7350 1 1 1 1827 3365 1 1 1216 1808 6147 1751 1 9640 1 1 1 1 1 2658 1 1 14716 17658 1 1 18085 1 1 1 1 1 1 6783 3607 1 1 5590 1 1 1 1 1 1 1 3648 2365 1 1 1 1 3858 5238 1 1 1 1 5071 4022 1 1 1 1 1 1290 1 1 141.0802 *141.081* 141.081@2.1108456 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.081 *141.0815* 141.0815@1.2108006 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6008 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 1 1 1 1 1 1 1 4171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.0815 *141.0906* 141.0906@3.5834088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20674 24616 1 1 1 1 1 1 1 1 1 1 141.0906 *141.0907* 141.0907@3.6247902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 141.0907 *141.0911* 141.0911@3.4888794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 141.0911 *141.103* 141.103@1.2175385 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 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.103 *141.1077* 141.1077@1.216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 141.1077 *141.1125* 141.1125@1.4444416 1 1 1 1 1 1 1 5976 1687 1633 1 1 1 1 1 2776 1 1 4349 4221 1 1 1 1 1 1 2233 1858 1 1 1 1 2802 1 1 1 1 2674 1 2328 1 1 1 1 1812 2588 1 1 1 1 1 1 1 1 1 1 1 1 2487 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 2893 1975 1 1 141.1125 *141.1141* 141.1141@1.4366366 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 14304 12892 1 1 2214 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 9352 8926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 141.1141 *141.1153* 141.1153@3.9114714 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 141.1153 *142.0153* C8 H2 N2 O 1 14171 1 1 7145 6742 7062 1 1 1 13780 13510 1 1 1 1 11316 12942 12547 11735 1 1 9194 8138 9325 5940 8503 8229 13255 9991 11280 10167 10355 12513 9325 14870 12566 12489 10391 13261 11976 11760 1 11398 11476 12446 9964 10917 11865 12339 11147 13542 14806 14361 12718 16699 18217 18015 10927 11996 18333 10515 16270 14500 16100 15361 17381 19735 14461 15766 17292 20407 17334 14862 11313 12835 12449 14114 16437 16864 13465 18976 14671 13783 13266 13982 15523 12865 9663 11641 142.0153 *142.0197* 142.0197@0.9919091 1 1 1 11098 1 1 1 1 1 1 1 1 10045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0197 *142.0251* 142.0251@12.634427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0251 *142.0251* 142.0251@13.293248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0251 *142.0254* 142.0254@5.5671864 1 1 1 1 28731 1 13853 1 1 1 1 30423 25714 44334 22903 38603 11282 35462 1 1 1 1 25698 1 1 14464 1 12432 1 1 1 1 1 1 23810 1 33744 22923 7417 1 1 1 1 1 16415 30157 10985 29582 1 1 32368 1 1 1 29656 1 1 1 8111 1 17684 1 1 1 1 10663 1 1 17779 21349 1 1 1 1 1 1 1 1 25044 1 1 22999 1 1 1 18982 1 1 1 1 142.0254 *142.0255* 142.0255@5.755882 1 1 1 1 1 1 1 1 1 1 19011 1 9127 1 1 1 25743 1 1 1 18629 1 23748 33196 1 26346 1 29226 20044 1 1 1 47253 1 25609 1 22053 12800 39413 1 1 1 1 24541 11255 1 24648 1 1 1 25551 1 1 1 1 1 1 1 17113 1 1 1 1 1 1 22330 1 1 21086 21879 1 1 24907 1 1 1 1 1 24115 1 28221 29577 1 1 22302 1 21844 1 1 1 142.0255 *142.0255* 142.0255@5.394868 1 1 1 1 1 1 1 1 1 1 1 1 8094 1 1 1 1 1 1 1 1 1 1 1 1 6602 1 1 1 1 1 1 1 1 1 1 5371 12218 11479 1 1 1 1 1 30631 1 12442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33001 1 1 1 1 1 1 1 1 142.0255 *142.0255* 142.0255@3.9610393 1 1 1 1 1 1 7126 1 1 1 1 1 1 1 1 8209 1 1 1 1 1 6348 1 1 1 5227 1 1 6108 1 6907 1 9218 1 1 1 1 1 1 1 1 11018 1 1 1 1 1 1 1 1 1 1 6852 1 1 1 1 1 1 1 1 1 8956 1 1 1 3745 1 1 1 1 1 1 1 1 4092 1 1 1 1 1 1 1 1 1 1 1 1 12982 1 142.0255 *142.0255* 142.0255@5.6872687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28350 1 1 1 1 1 1 1 1 1 1 19119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11135 1 1 1 1 1 1 1 1 142.0255 *142.0256* 142.0256@4.176285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10231 1 142.0256 *142.0257* 142.0257@5.1263967 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 9472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0257 *142.0569* 142.0569@1.060759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0569 *142.0674* 142.0674@4.132347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0674 *142.0701* 142.0701@1.1616384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1732 1 1 2485 2830 1 1 1 1 1 1 1 1 3190 9724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.0701 *142.075* 142.075@3.607801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 142.075 *142.0804* 142.0804@3.587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 1 1 142.0804 *142.0946* 142.0946@1.2133417 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 3171 1129 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 1 142.0946 *142.0967* C4 H10 N6 3067 4150 2609 3716 1894 5178 2624 3032 4347 2511 2945 2510 2687 4540 2764 3220 7858 8133 5488 2638 3936 4581 3897 3555 5891 3383 3020 3458 5748 7280 1180 1 5760 5925 4064 3119 2605 5021 3455 4385 4135 6299 2802 1991 1692 1859 3959 2967 4292 4738 3920 3323 3972 2993 1901 3002 4348 5835 3727 1 2956 2587 2637 2687 3251 4540 1 1322 3460 2006 4943 3583 3655 3694 4873 2827 2763 4136 9683 1 1 1230 4077 4771 6139 2964 4518 3016 2678 3157 142.0967 *142.1056* 142.1056@7.0363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1056 *142.1061* 142.1061@2.9680903 1 1 1 1 1 1 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 1 1 1 1 1 142.1061 *142.1071* 142.1071@6.249955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1071 *142.1079* 142.1079@6.973691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 142.1079 *142.1094* 142.1094@3.393504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1094 *142.1099* 142.1099@2.8824527 1 1 1 1 1 15446 1 6304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1099 *142.11* 142.11@2.9439256 1 1 1 1 1 8379 1 10536 2107 1 1 1 1 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 2405 1 1 1 1 1 1 1 1 1 1 1 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 17123 1 1 1 1 1 1 1 6672 1 1 1 1 1 1 1 1 1 1 1 142.11 *142.1468* 142.1468@4.8775897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.1468 *142.9514* 142.9514@6.990947 1996 1126 1 1010 1 1 1 1 1 1 2001 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 1 1 1 1 1 1 1 1 1 1 1 1 1104 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 142.9514 *143.0259* 2-Amino-4-chloro-6-methylpyrimidine 3743 2951 1957 2348 2120 2934 4785 2197 5163 5783 2691 2939 4675 5243 3801 3496 6477 6559 5292 4601 5070 2466 4806 4373 2669 2547 3784 3052 2632 2902 5598 3621 4356 4797 5041 3885 7249 6812 6175 6351 3824 4045 5348 6194 2658 4316 4498 3947 2291 2752 5432 3915 4629 6037 6186 5651 2455 2736 7101 6111 8156 7512 7052 6870 3947 5134 3355 3593 6111 5875 6565 10036 3782 3432 4411 4115 6487 6675 5645 7933 8233 7367 3842 4109 10223 7593 2892 3164 9253 9385 143.0259 *143.0274* 143.0274@11.422044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 143.0274 *143.0275* 143.0275@13.046066 1 1 1994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 4699 1 1 1 1 1 1 1 1 1 1 1 1 3064 1 1 1 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 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0275 *143.0278* 143.0278@12.178703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3460 1 1 2114 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 2058 1 1 1 1 1 1 143.0278 *143.0279* 143.0279@13.329713 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0279 *143.0399* 143.0399@1.2878664 1 1 1 1 1 1 1 1 4978 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31991 32968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0399 *143.0412* 143.0412@1.3468691 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 6951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0412 *143.0432* 143.0432@7.60411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0432 *143.0446* 143.0446@10.101827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0446 *143.0467* 143.0467@8.623534 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 1 1 1 1 1 1331 1 1 1 1 1 1 1 1 1 6340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0467 *143.0477* 143.0477@9.563057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 143.0477 *143.0481* 143.0481@7.689931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1509 4655 1 1 1 1 1 1 1 1 1 1 1 143.0481 *143.0524* 143.0524@6.6404133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2680 1 1 1 1 1 1 1 1 143.0524 *143.0529* 143.0529@5.9263186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 143.0529 *143.0539* 143.0539@6.541005 1 1 1 1 1121 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 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2013 1 1 143.0539 *143.0542* 143.0542@5.059329 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 1 1309 1 1 1 1 1 1 1 1 1 1 1 1 2125 1674 1 1 1 1 1 1 1 1969 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 3092 1 1 1 1 143.0542 *143.0543* C5 H9 N3 S + 5.686093 1 4722 11701 1 1 1 6299 4979 1 1 3808 1 1 1 1 1 17756 10222 3193 5270 6357 1 4391 13581 3185 5363 2542 1 11541 1 1 11118 6173 1 3736 5449 1406 3629 5251 6122 1 7177 13100 1985 4161 1 1 1 1 6061 5525 4774 1419 8532 12348 1 1 11493 12424 14389 4312 4532 6064 7655 4087 5371 1 1827 1 5233 2731 4067 4970 5271 9514 1 11795 3426 3435 2998 3362 3892 4886 6590 2051 1 1942 3179 8816 9672 143.0543 *143.0543* 143.0543@4.501522 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 1816 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 3232 1 1 1 1 1 1 1 1 7208 3928 1 1 2496 1 3662 1805 1 1 1696 1 1 1 2202 1 2087 1 1 1 1 1 1593 2126 1 1 2668 1 2277 1 143.0543 *143.0544* 143.0544@2.5142608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2429 1 1 1 1 1 1 1 1 1 1 143.0544 *143.0545* C5 H9 N3 S 15253 17886 5142 18754 1 13317 8681 9803 14184 19435 6677 16934 4684 1 5057 18132 3073 7071 1 1575 7471 1 6628 3647 6606 7087 12378 9733 3168 9120 8903 5353 2942 8417 6683 6512 11650 5265 6891 8625 1 2164 5645 11483 4420 14800 1 8215 2841 9865 4095 6691 1 3113 16021 13592 10808 6024 6533 2163 3609 11930 12442 10308 10055 1 2651 6912 9708 18745 15833 15641 6993 3017 6983 15522 3667 3484 3480 4053 7458 9110 7584 2313 12517 7416 2316 4734 14817 5765 143.0545 *143.0545* 143.0545@5.5732594 1 1 1 1 1 1 11977 1 1 1 5502 1 1 1 1 1 5808 1 1 10477 1 1 1 1 10460 1 13340 1 7247 1 1 4709 2491 1 6097 1 1 6735 7511 6776 1 10137 1 1 1 1 1 1 1 1 5246 6434 1 3613 1 1 1 1 7444 1 1 4288 1 1 4481 1 1 2163 1 9925 4585 1 1 1 1 1 1 1 1 1 6105 4128 1 1 3965 1 5217 2394 1 9418 143.0545 *143.0545* 143.0545@4.270996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0545 *143.0547* 143.0547@5.2366333 1 1 1 1 1085 1 1 1 1 1 1 2594 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3543 1336 1 1 1 1 1 1 10901 1 1 1 1 1 1 1 1 1 1480 7819 1 1 2148 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 1 1 1 1 1 1 1 143.0547 *143.0547* 143.0547@5.738752 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 1 1 1 1 1 1 1 1 1 1 3084 1 1 1 1 1 1 1 1 4071 1 1 1 1 1 1 1 1 11044 1 1 1 1 1 1 1 9272 1 1 9371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4393 5365 1 1 143.0547 *143.0551* TROMETHAMINE 17966 13573 10898 14725 10557 14581 10223 11401 13680 13809 15111 1 13739 18305 11656 13828 14636 20753 12691 10188 16536 12238 18069 17279 12030 11731 12262 13358 13885 14953 11176 11257 4813 1 14350 11590 10634 9893 9448 11249 1 11136 10863 11150 11910 10892 10382 13550 12053 11147 15368 8677 9004 10804 12767 1 13005 1 17087 12197 11784 11958 11375 13527 11455 10071 9381 12503 10197 11693 10777 11214 10033 13829 12874 11919 11304 10633 8067 6970 8238 9264 9688 17578 9156 13503 7735 9871 13390 8920 143.0551 *143.0555* 143.0555@2.349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 143.0555 *143.0566* 143.0566@2.5261085 1 1 1 1 1 1 1 1 1 1 1 1 1 2437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1766 1952 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 143.0566 *143.0578* 143.0578@2.9925835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4059 1 1 1 1 1659 3383 1 2650 1974 1710 1 1 1948 1870 1 1 1 1 143.0578 *143.0582* 143.0582@2.7477007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3815 1 1 1 1 1 1 1 1 1 1 143.0582 *143.0596* 143.0596@1.2312356 1 1 1 1 2761 3421 1 1796 1 1 1 1148 1 1181 1 2633 1 1 1 1315 2201 1306 1 1 1 1 1 1420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2084 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2680 3129 1304 1 1 1693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0596 *143.0623* 143.0623@1.2269176 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 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3250 3876 1 1479 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0623 *143.0652* 143.0652@2.0705957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0652 *143.0713* 143.0713@1.2335835 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 1 1 1 1 1 1 1 1 1 1 1 1 1744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0713 *143.0746* 143.0746@1.8213924 1 1 1 3235 1 1 1 1 1 1 1 1 1 1 1 1 2937 1953 1 1 1 1 1 1 1 1 1 1808 1 1 1 1 1 1 1 1 1 1 1 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 1 143.0746 *143.076* 143.076@1.8088773 1 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3749 1 1 1 3851 2292 1875 3892 1 1 1 1 1290 1 4161 4000 1 1 1 1 1 1 1 1 1 1 3792 1 1 1215 1 1 1 1 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 9942 11652 1 1 1 1 1199 3395 143.076 *143.0768* 143.0768@1.2322788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0768 *143.0802* 143.0802@1.7979828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0802 *143.0803* 143.0803@1.8231118 1 1 1 1 2905 3832 1 1 1 3007 1 1 1 1 1984 1 1 1 1211 4295 2333 1 1 1649 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1768 2213 1 4303 1 1 1 1 1 2636 1 1 4171 1 1 1 1 3139 1 1 1 1 1566 1564 1 1 2689 1 1 2797 1 1 1 1 1 1 2397 1 1 1 1 1 1 4451 1 1 1 1 1 1893 1587 1 143.0803 *143.0845* 143.0845@6.4536996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0845 *143.0857* 143.0857@1.8308196 1 1 1 1 1 1 1 1 1 1 4306 4627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 3618 1 1 2159 1 6163 1 1 1 1 1 1 1 1 1 1 1927 1 1 3625 1 2979 4668 1 1 1896 1838 1 1 2390 5324 1 1 1 1 1031 1 1 1 1 1 4569 2159 1 1 1 1 1 1 1 1 1 1 1 1 143.0857 *143.0868* 143.0868@1.232602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 2176 1 1398 1 1 1 1 1 1 1 1 1553 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 3869 1241 1 1 1 1491 1447 1 1 2223 1 1 143.0868 *143.0871* 143.0871@1.230329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 143.0871 *143.0876* 143.0876@1.8748564 1 1 1 1 1 1 1 1 1 1 2378 1 1 3878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2557 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 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 1 143.0876 *143.0886* 143.0886@1.2328255 1 1 1379 1 1 1 1 1 1 1 1 1536 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1536 1 1 1300 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1530 1 1592 1 1318 1 1277 1 1 1089 1004 1 1 1 1470 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 1 143.0886 *143.0891* 143.0891@6.9027567 1 1 1 1 1 1 1 1 1 1 1 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 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0891 *143.0896* 143.0896@8.036066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1822 2303 1 1 1 1 1 1 1791 2118 1 1 143.0896 *143.09* C3 H9 N7 1 1 1 1 5314 4185 1 5715 1 1 6302 7439 1972 1922 5158 4309 4680 4359 1869 2062 7188 7887 1 2891 1 1 1463 1 1 1 4596 4430 1 4000 1 1461 4125 3786 4044 5007 1805 2531 1 1 3454 2848 4993 5721 7550 1 2473 1 1417 1625 1 1 2698 1 1 1 1 4665 1870 1 1601 2059 2868 1 2270 2086 1599 1484 1 1 1 5310 1478 1981 1294 1675 1 9788 1 1096 2340 2617 2758 2972 1560 1639 143.09 *143.0918* 143.0918@1.8403314 1 1 1 1 1 1 2107 3881 1 1 1 1 1 1 4388 5749 1 1 1 1 1 1 1 1 2184 6093 1 1 1 1 1 1 1 3109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1709 1 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 1 7523 11976 1 1 1 1 1 1 3559 1 8246 7906 1 1 1 1 3401 1 1 1 1 1 143.0918 *143.0925* 143.0925@1.8189052 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 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 3905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0925 *143.0932* 143.0932@6.7144194 1 1 1 1 1 1 6046 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 1 1 1 1 7039 5965 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 1 1 1 1 1 2930 4339 3099 7715 1 1 6400 1 1 5056 1 1 1 1 14876 14944 1 1 1 1 5733 1 1 1 1 1 1 1 5480 1 1 2172 1 1 9628 1 1 1 1 1 1 1 1 10362 143.0932 *143.0934* 143.0934@2.1931195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5384 2523 1 1 1 1 1 1 143.0934 *143.0939* 1-Aminocyclohexanecarboxylic acid 16714 16372 11605 11973 18606 19314 32874 32925 34357 33508 44237 41275 38830 38944 13955 14303 15653 15068 37391 37138 9323 9393 22557 21735 11188 8342 21221 19496 17226 16938 13323 12581 28331 30526 32501 31281 24970 25010 30615 28138 37064 37730 11471 11551 16737 15322 43295 42519 15112 15732 19269 19471 72149 73855 20126 21261 34533 34677 15232 15075 29473 30235 4895 6413 46750 48870 37048 29699 63482 65880 28906 31407 31294 30452 24162 23404 36244 40179 16156 6311 24693 23446 20046 20300 31527 34896 32494 32726 16607 18353 HMDB02279 143.0939 *143.0939* 143.0939@6.789612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.0939 *143.0942* 143.0942@2.1606324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 143.0942 *143.0945* Triparanol 38572 38043 119072 120090 34727 32845 103212 102301 10752 9610 344158 350344 163952 166235 230273 230076 379103 381442 382574 379546 14735 14869 64439 58731 650042 647107 105934 109403 17568 17520 62470 59654 1204685 1173520 748813 749439 588349 589654 1157630 1150788 342430 342616 31121 31063 15436 15793 222706 223453 340098 347343 653001 649186 736792 738846 61244 56586 14892 16616 18539 17140 142326 139284 7908 8233 22280 22199 789268 804415 146441 148147 57660 56803 8268 8787 154946 165970 107008 108850 122837 128939 600403 595441 1157639 1149242 101932 101951 2325920 2340784 948415 933202 HMDB01378 143.0945 *143.1024* 143.1024@5.070095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 143.1024 *143.1114* 143.1114@2.909583 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.1114 *143.1312* 143.1312@4.151131 2264 2107 1524 1648 2942 3077 1 1397 1896 1948 1800 2385 1970 1833 2464 2394 1 2421 1777 2316 1635 1927 1 1 2479 2819 1531 1768 2031 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.1312 *143.8976* 143.8976@6.7413135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 143.8976 *143.9645* 143.9645@6.7393036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 143.9645 *143.9737* 143.9737@3.0986445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 2826 1 1 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9737 *143.9739* 143.9739@1.9314412 1 1 1 1 3625 1 1 1 1 1 1 1 1 1 3364 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 2897 1250 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 2978 1 1 1 1 1 1 1820 1 1 1 1 143.9739 *143.974* C3 H6 Cl2 O2 + 1.9913893 1 2901 1 3116 4578 4315 2642 1987 3413 4851 1 1 1 1 2662 1 1 4662 1 1 1178 2784 1 1 2661 1 2430 1359 1348 1 3043 1 10682 1 1 2580 1 1 3535 1 1644 1099 5121 1 3273 6990 1772 1 1 1 1 1711 1 1 6531 1 1863 3668 1378 1 1 1 2727 2496 1 1 2278 1867 1 1 1 1 1 1520 2704 1 1 1 2734 1 1081 2163 5642 1 8819 4070 1770 1392 1 1 143.974 *143.9741* 143.9741@3.2711167 1 1 2486 1 1 2272 1 1 2231 1859 1 1 1174 1621 1 1 2045 1 2331 1 1 1 1 1 8286 4577 1847 8002 1 1297 1 2416 3690 1 1800 1367 1538 1 4904 1474 1 1 3851 5498 6240 1 1249 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 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 1 143.9741 *143.9742* C3 H6 Cl2 O2 1082 3778 3461 3319 3518 1 1 4717 4850 3588 1 4017 1501 1 1528 5419 6585 1 8044 1 1 1 4133 1 1 1 4748 7678 5753 5909 3089 1 1863 1 1498 4082 9963 1 1905 1 3499 5466 2399 1 1 3237 6595 1190 1 1 3677 1 1205 8213 4110 1 1 1 2776 1 9880 7911 1 1 5580 6189 5734 5998 3528 7289 1 9763 1 1730 4242 1 9935 9883 2577 1 5711 5198 1893 1 2768 1344 1 5753 1 2471 143.9742 *143.9743* 143.9743@3.8993998 1442 1 2952 3002 3406 1 1 1 1 1 1 1 1 1 1 1 1 1 2742 2136 1 1 1 2759 1 2421 2921 1 1 1 1 1 5269 1165 2656 1 1 1910 1 1 1 1419 3124 1 1 1 1 2970 1 5031 1 1 1493 1 2003 1 1 2767 1 1346 1525 1 1 1 1 1 1 2282 1049 1229 1 2327 1 1 1 1 1 1 1 1 1 1 1 1 2599 1719 1 1 1127 1886 143.9743 *143.9744* 143.9744@11.038139 1 1 1 1 1087 1 1 1 2467 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1071 1 1 1 1 1 1 2396 1 1 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 143.9744 *143.9744* 143.9744@11.351191 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 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9744 *143.9745* 143.9745@11.698566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9745 *143.9746* 143.9746@3.1791952 4292 1 3762 1 1 1647 1 1 1238 1 1298 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 2047 1 1 4112 1 1716 5524 1 1 1642 1715 1 3555 1073 1 1 1465 4410 1 1 1 1 1 1 1 1 1 1 1 1 3133 1321 1 1 1 1 2645 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 1 143.9746 *143.9746* 143.9746@1.6280013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 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 1 1 1 1 1 1 1 1 1 143.9746 *143.9746* 143.9746@3.9961734 1 1 1 1 2501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9746 *143.9748* 143.9748@11.212802 1 1 1 1 1104 1 1 1 1021 1 1 1 1 1538 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 2878 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 5904 1181 1 1 1 1 1270 1 1 1 1649 1 1 1636 1160 1 1 1 1 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 3000 1 1 1 1 143.9748 *143.975* 143.975@3.981275 1 1 2357 1831 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1067 1 1 1 1 1 1054 1734 1 1 1 1 1 1 1 1539 1 1 1098 1 1 1360 1 1 1 1 1 1928 1909 1 2244 1386 1581 1090 1 1 1 1 1225 1 1 2178 1 1 1941 1 1 1 1 1953 1438 1 2085 1 1 1531 1 1 1 1 1 1 1 1 1 2715 2103 1 1 1297 1 143.975 *143.975* 143.975@4.1121974 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.975 *143.9754* 143.9754@11.288037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9754 *143.9755* 143.9755@4.1741652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9755 *144.0392* 144.0392@1.500488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0392 *144.0407* 144.0407@0.9718425 1 1 1489 1 1 1 1291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2188 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 2651 2580 1 1802 1069 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0407 *144.0416* 144.0416@2.0111227 1 1 1 1 1 1 1 1 1 1 1 1 1988 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1100 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 1065 1 1 1 1 1377 3061 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0416 *144.0417* (E)-2-Methylglutaconic acid + 7.1963344 1809 1568 2038 1912 2678 2844 2349 2324 1 1840 3078 3055 1689 1931 1924 2235 2270 2377 2513 3167 1317 1394 1672 1198 1022 1 2957 3106 1297 1007 2497 2314 3063 2833 1 1 1651 1558 1260 1685 1 1343 2150 2388 1449 1523 1433 1579 1531 1576 1247 1119 1903 1855 1596 1412 1321 1217 1 1 2067 2167 1919 1796 2084 2370 1834 1796 2442 2558 2671 2014 1783 1627 1545 2040 2108 2288 1 1612 1606 1658 3455 3123 2075 2020 5100 5315 1299 1099 HMDB02266 144.0417 *144.042* 144.042@1.8162323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1604 1 1128 1 1 1 2669 1 1 1 1 1 1 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 3081 2289 1 1 144.042 *144.0421* (E)-2-Methylglutaconic acid 152044 178625 164561 55098 1 207624 1 1 193085 76109 1 55313 1 158116 127091 130967 1 186200 1 85726 1 205598 126701 140634 210275 1 37925 27674 1 138383 208595 200352 1 25600 188585 172215 134291 140992 155551 133919 152834 1 101585 166280 111266 108011 1 199627 1 1 1 160552 31346 1 1 1 58842 157011 1 138675 198005 203568 1 119127 25984 1 1 1 1 162952 197975 1 1 1 42958 1 227714 1 1 149912 1 1 1 1 1 1 173824 1 198107 1 HMDB02266 144.0421 *144.0421* (E)-2-Methylglutaconic acid + 2.4171734 1 1 1 135281 218387 1 216282 224073 1 95407 141784 88700 131263 1 1 1 176571 1 86524 1 193953 1 1 1 1 195528 132918 1 115055 1 1 1 104198 80691 1 1 1 1 1 1 1 158818 59757 1 1 1 202034 1 132049 98528 162005 1 35755 110542 149219 133545 69804 1 135326 1 1 1 113085 1 159433 167956 134451 126880 151446 1 1 192060 222112 224601 122554 161696 1 239468 244242 129707 140066 158536 187392 225964 154922 179095 1 181510 1 189138 HMDB02266 144.0421 *144.0421* 144.0421@1.4303689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7837 5422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0421 *144.0422* (E)-2-Methylglutaconic acid + 2.6466348 1 131061 253488 85764 1 1 1 105548 132323 239733 1 159026 124057 205078 141603 75824 120451 424221 1 1 116317 127335 128653 183099 1 1 166673 1 137843 408760 291491 239989 1 245357 238734 1 137949 185347 224498 180224 133036 182000 1 1 274068 168498 253769 123472 95542 1 1 1 1 1 219549 107528 92287 252773 88996 86896 207551 1 1 149983 129354 1 1 1 171556 154974 1 1 1 1 159727 1 1 1 1 108120 1 1 149466 1 1 1 1 1 202173 247503 HMDB02266 144.0422 *144.0422* (E)-2-Methylglutaconic acid + 2.796564 177117 73956 183846 83344 198370 273527 187307 209707 94081 64871 200748 44831 119477 178406 215633 150141 201711 1 1 68264 139471 164789 164721 163960 62294 65998 230119 180278 185800 1 40963 172177 73877 162734 70492 174768 1 229352 193571 191106 207955 157349 179010 429367 188789 168343 169247 1 162128 144583 119361 1 80196 47243 84907 55204 206039 172193 134531 213609 152054 238873 145616 152754 89674 164008 36724 1 166510 177251 1 222919 1 1 1 59982 1 197230 1 132119 24246 70427 183261 456402 50994 39360 191887 42225 1 204901 HMDB02266 144.0422 *144.0422* 144.0422@2.7536075 1 84483 1 1 1 1 1 1 1 1 1 1 1 65267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129716 1 1 1 1 1 61138 1 1 1 1 1 1 1 47192 1 1 1 1 1 1 1 1 40749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0422 *144.0565* 144.0565@1.6685791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9873 14197 1 1 1 1 1 1 1 1 1 1 144.0565 *144.0592* 144.0592@1.2100275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0592 *144.0783* 144.0783@1.2083809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14218 13193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.0783 *144.0951* 144.0951@1.6784432 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 2358 1 1 1 1 1 1 1721 1 1 1 1 1 1 2101 1 1 1 1 1 144.0951 *144.101* 144.101@5.7540092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3749 3920 1 1 1 1 1 1 1 1 1 1 144.101 *144.1143* 144.1143@1.1294543 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7941 7464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1143 *144.1145* 144.1145@1.0516258 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9526 9420 1 1 1 1 1 1 1 1 1 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 1223 1043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1145 *144.125* 144.125@6.1109285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.125 *144.1432* 144.1432@2.3801901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1432 *144.1442* 144.1442@2.7581933 1 1 1 1 1 1148 1 1 1563 4214 1 1549 2237 1 1 1031 1 1 1846 1076 1 1249 1386 3725 1 1 1 1 1 1 1325 1 1 1 1 1 1 1373 1 1581 1482 1001 1122 1133 1 1 1137 1 1 1309 1 1 1167 1430 1 1264 1 1 1 1 1 1 1211 1 1 1 1366 1 1360 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 1 1 144.1442 *144.1444* 144.1444@2.746074 1 1 1 1 1 1 1 1 3063 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 1310 1791 1300 1 1 1 1872 1 1 1 1 1 1487 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1444 *144.1448* 144.1448@2.7122874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144.1448 *144.1449* 144.1449@2.608207 1 1 1 1 1 1 1 1 1515 2273 1 1 1 1 2214 1367 1 1 1 1 1 1 1 2167 1 1 1 1 1 1 1 2193 1 1 1175 1 1 1 1 1341 1057 1147 1390 1186 1 1 2245 1 1 1 1 1 1158 1187 1 1 2607 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1600 1 1 1 144.1449 *145.0455* 145.0455@2.7643044 1 1 1 1 14415 1 3162 1 16680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3001 1 1 1 1 7621 1 1 1 1 1 1 1 9129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0455 *145.0456* 145.0456@2.3659685 1 1 1 1 1 1 1 1 1 4273 2827 3793 2015 1 1880 1 1 1 1 3289 1 1 1 1 1 10524 1 1 2030 1 1 1 1757 3889 1 1 1 1 1 1 4680 6907 1 1 1 1869 7544 1 1 8635 1 1 1 4864 2959 3723 10291 1 3686 10013 1 1 1650 1729 1 3621 3351 2637 1 2435 1 3689 1 1439 4505 1872 6924 1 2349 18304 2737 1 1 1 14341 3298 1 1 5984 4359 145.0456 *145.0456* 145.0456@2.457792 1 1 1 1 1 1 1 1 1 9198 4425 1 1 1 1 1 1 1 1 1 1 1 1 1 12610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 6289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0456 *145.0457* 145.0457@2.6263406 1 1 1 4729 11048 12708 4121 10071 11485 12469 34456 14520 1 1 4147 1 31534 1 1 3406 1 19227 1 1 14181 2440 5329 2042 6310 13503 14631 1 1 3333 8454 1 13675 18958 30380 1 1 1 1 1 1 2399 8617 1 1 1 1 1 1 4245 1788 10341 5993 5720 4536 5413 8787 3802 1 3732 2887 12436 1259 1 8371 3981 1 1 1 1 27680 10945 1 6756 4987 8538 2490 1 1 1 1 1 1 1 4577 6063 145.0457 *145.0459* 145.0459@2.8182642 1 1 1 1 8037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0459 *145.0521* 145.0521@5.420996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1416 1 1 1783 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 1 1 1 1 1 1 145.0521 *145.0527* OXYQUINOLINE 1 1 6407 6117 1 1 5634 5433 12021 12576 19247 19426 1960 2264 3524 4226 1 1 5223 6040 1082 1 1016 1 7299 7109 1602 1314 1 1 2926 2844 2499 2370 11756 11748 1360 1279 1 1185 2081 2122 1615 1733 1 1 7152 7704 1 1 6193 5833 2437 3190 35209 36360 4548 4236 1701 1990 1774 1636 1 1 3914 4069 1887 1955 4887 4477 1 1247 1 1 1 1 1 1 3010 3220 1 1 1831 2120 1887 2248 11085 10631 1 1 145.0527 *145.0558* C6 H11 N O S 19109 23624 1 1 9720 11254 30475 31508 1 1 1 1 1 1 1 1 34025 34225 127422 126333 3868 5442 11793 11360 1 1 1 1 1 1 1557 1569 1 1 1776 1681 5684 4696 3167 3777 289773 287232 1157 1 9736 12407 1 1 23853 30955 250933 247656 1 1 1 1 1 1 1410 1 17788 13023 1 3205 3624 5713 7020 8966 10825 16524 46173 36869 12447 7957 2156 1580 1 1 1 1 1 1 78745 58711 61186 59878 236946 242019 1 1 145.0558 *145.0558* 145.0558@2.1460288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37291 23357 1 1 10357 6897 1 1 1 1 1 12637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4191 1 1 145.0558 *145.0559* 145.0559@1.6477314 4499 1 1 1 1514 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 1 2167 1 1 1 1 1 1 3238 1 1 1 7186 1 1 1 1 1 1 1 1 1 7896 8683 1 1 1 1 1 1 1 1 4939 1 1 8367 1 3061 1 1 1 1 19093 13112 1 1 1 19400 1 1 1 1616 1 1 145.0559 *145.0577* 145.0577@1.9765623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4201 1 1 1 1 1 1 1 1 1 1 145.0577 *145.0579* 145.0579@2.118756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14025 9340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7170 9600 1 1 1 1 1 1 1 1 6918 22135 1 1 1 1 1 1 1 25973 1 1 1 1 15511 13101 6781 6392 1 1 1 1 20912 8839 9394 20887 1 1 1 2230 16722 8216 1 1 1 1 5300 1 1 1 145.0579 *145.0604* 145.0604@2.1616516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 145.0604 *145.0641* 145.0641@2.1211522 1 1 1 1 4834 5726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3316 5207 1 1 1 1 1 1 1 1 1 1 1 2414 3385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28785 1 1 1 16337 1 1 2905 1 1 16051 1 1 1 1 1 4617 1 1 1 14020 1 1 1 3203 1 1 13146 1 1 1 1 6091 9649 1 1 145.0641 *145.0726* C5 H11 N3 S 1 1 1 1 26405 25432 45712 4003 1 1 1 1 1 1 1 1 30429 30108 1 1 22791 19595 11624 2660 3558 3567 1 1 1 25573 1 1 3801 1 35524 14673 8547 3986 1 1 55069 59906 5546 15894 1 1 1 1 1 1 19712 19892 7103 15826 1 20225 5539 1 42874 41266 7566 19998 7265 5255 22949 25651 39216 32191 30744 2255 1 8584 29806 31627 25030 26541 35754 7808 69428 7702 40329 35267 6966 4483 6280 9561 21477 20472 8996 12599 145.0726 *145.0729* Allysine 23759 24165 1 1 1 1 1 44274 1 1 32102 33418 32221 1 1 34056 1 1 45887 43030 1 1 1 35540 18724 19649 1 24347 25060 1 29255 26914 33178 34600 1 1 50326 53373 48120 48049 1 1 35003 23566 1 25996 36029 38376 1 28731 1 1 36958 1 1 1 1 1 1 1 46681 1 49580 49836 1 1 1 1 1 27059 1 1 1 1 1 1 1 1 1 1 1 1 26582 29308 45417 42928 1 1 42718 40080 HMDB01263 C01475 145.0729 *145.0731* 145.0731@3.2763538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5564 1 1 1 1 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 1890 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 1 145.0731 *145.0733* 145.0733@3.2834284 1 1 1 1 1 1 1 1 1 1 6014 5021 1 1 1 1 1954 5122 1 1 1 1 1 1 4146 2664 1 1 1 1 1 1 8382 5755 2738 3372 7680 6943 5088 5425 1 1 1 1 1 1 2262 1 1676 1999 2104 1 6886 4078 1 1 1 1 1 1 1 1 1 1 1 1 10820 5071 1 1 1 1 1 1 1 1 1 1 76227 68654 1 1 4122 1 1 1 9955 10959 3210 5672 145.0733 *145.0744* 145.0744@1.2443693 1924 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 2111 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 1 145.0744 *145.0748* 145.0748@3.3723106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3364 1267 145.0748 *145.076* 145.076@6.266693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 1970 1 1 1315 2705 1964 1 1 1 1 1 1 2107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2909 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 145.076 *145.0779* 145.0779@6.2572618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 145.0779 *145.0844* 145.0844@7.075254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0844 *145.0845* 145.0845@6.078647 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 2477 1 1 1 1 1 1 2264 1 1 1 1 1 1143 1 1 1 1 2417 1 1 1 1 2032 2072 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1223 1 1 1 1 1 1163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 145.0845 *145.0852* 4-Guanidinobutanoate 3149 3838 3281 3743 3105 3839 3846 4023 3430 3637 2691 3933 3393 3593 2800 3847 1694 3480 2245 3615 4282 3894 3742 3407 4214 1121 3999 4161 3626 3848 1978 2966 1346 2309 2867 1208 3473 3887 2670 2779 7174 6823 3510 1606 4487 4767 4015 4354 2012 2339 6007 5784 6608 7152 7124 7486 5094 2818 6869 7320 5603 6113 9267 9467 4777 4530 5349 6306 4828 4760 6190 7037 5965 7031 6444 6260 5013 5672 21509 23110 9017 8869 6334 6584 5608 5665 3957 5370 6259 5974 HMDB03464 C01035 145.0852 *145.0854* 145.0854@1.2077649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 145.0854 *145.0869* 145.0869@6.571617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1195 1 1 1 1 1 1 1 1 1 1 145.0869 *145.1082* 145.1082@1.3024284 1 1 1342 1 1 1 1876 1 1 1 1 1 1 1 1 1 1 1844 1192 1 1 1 1 1 1605 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 2289 1 2264 1 1 1 1 1 1 1171 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1584 1 1 1 1 145.1082 *145.1089* 145.1089@1.5475693 1 1 1 1 1 1 1787 13120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.1089 *145.1091* 2R-aminoheptanoic acid 1 1 1963 1578 1 1 2411 2325 1 1 3097 2050 1 1 1 1525 2190 1738 4095 1 2295 3330 1 1 2356 3821 1205 1509 1 1 1 1 1 1 2230 2280 3358 3350 1 1 3833 3625 1 1 1 1913 2309 2339 1 1 4089 4200 1 1 3227 1537 4011 2094 1 1 2976 1 1 1184 2836 4211 2844 1834 1 1 1211 1 1 1 1 1 1 1 1 1 1780 1 1 1 3328 1803 1920 1433 1 1 145.1091 *145.1091* 145.1091@1.7200136 1 1 1 1 1 1 4895 4657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.1091 *145.1091* 145.1091@1.6346833 1 1 1 1 1 1 12052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.1091 *145.1096* 145.1096@6.3826914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 2808 1 1 1 1 1 1 1 1 1 1 1 1 1935 2258 1 1 12627 13612 4741 4832 1 1 1 1 1070 1201 1 1034 145.1096 *145.1098* L-Alanine n-butyl ester 5282 5075 6987 6470 8183 7486 5986 5891 5847 5724 9977 9283 4596 4958 4682 5029 7006 6784 8908 8545 4110 4562 4417 3989 5127 5770 10274 9708 3609 3709 7194 6691 6865 7454 3352 3253 5615 5777 5364 5401 3737 3653 7696 7474 6706 6868 6768 7766 7767 7653 5177 5201 7082 6613 3801 3413 6722 7076 4009 4595 13488 14719 5937 6937 5933 5338 7577 6573 11159 11287 9649 10275 5899 6107 8642 9286 9784 9902 39499 40093 7131 7018 7843 7106 5346 6357 20916 20325 4144 4393 145.1098 *145.146* 145.146@4.469179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1546 1517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 145.146 *145.1568* 145.1568@1.4838091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2601 1 1 1 1 1 1 1 1 1319 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.1568 *145.9716* 145.9716@3.2317054 1 1 1600 1285 1 1 1 1 1 1 1 1 1 1 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 1627 4062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.9716 *145.9716* 145.9716@1.871627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 145.9716 *145.9723* 145.9723@1.9445157 1 1 1 1 1 2758 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1913 1 1 1 1 1 1432 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 2090 1471 1 1 1 1 1 4569 1 3645 1 1 1291 1 1 1 1 1 1 1 1245 145.9723 *146.0487* 146.0487@2.7353592 3116 1520 1 1 2304 1 1 1 1 1 1 2377 1 1 1 1 1 2281 1 1 3426 1 1079 1 1 1 1 1 1 1 1575 1 1 1 1 1187 3118 2057 1 1 1601 1 1120 1 1050 1 1 1 1 1 1 1 1 1013 2040 1 1 2307 1 1 1 1041 1998 1 1 1 1 1 2239 1 1607 1 1329 1 1 1 1 1 1 1 1 2822 1 1 1 1 1 1 1 1 146.0487 *146.0491* 146.0491@2.6324272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1997 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0491 *146.0511* 146.0511@2.6367593 1 2516 1 1 2242 1 1 1 2605 1 1 1 1 1 1 1 1 1 1980 1132 1 1 1 1 1 1657 1 1 1 1 1882 1260 1 1 1 1452 1331 1805 1 1 1153 2853 1 1 1 1200 1 1 1 1 1 1 2232 4048 1 1 1 1 1 1 1 3207 1 1 1 1388 1 1 3195 1 2414 1548 1793 1 1 1 1 1728 1 1 1 1 1 1 1 3490 1 1 1 1765 146.0511 *146.054* 146.054@2.726639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2750 1 1 1 1 1 1 1123 1 1 1 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 2432 1 1 1 1 146.054 *146.0579* alpha-Ketopantoic acid + 1.846147 1 1 1 1 2281 1 1 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 2377 1 1 1 1 1 1 2665 1 1 1 1 1 2856 3099 1 2662 1242 3407 2009 1086 1 2183 3375 3064 1 1 1215 2875 1641 3950 2972 2712 3918 4184 2105 3276 3989 3978 2776 3125 3830 1 1 1 1 1 3518 3603 2887 2762 1 1 2359 1144 1 1942 2301 3509 1617 2388 3587 3678 1 2836 3600 3532 146.0579 *146.0581* 146.0581@1.0753095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0581 *146.0582* 146.0582@1.8284163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 146.0582 *146.0587* 146.0587@1.7580187 1 1 1 1 1 1 1324 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 2311 1 1 1946 1 1844 4675 1 1116 1 1 1 1 1 1 4127 5566 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 1184 1 20181 1 1 1 2794 1 1 1 1 1 1 146.0587 *146.0589* 146.0589@3.2906554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0589 *146.059* alpha-Ketopantoic acid 1624 2345 2239 2272 2888 2607 2607 2260 3104 2316 1991 2130 2387 2153 3378 2703 2346 2382 2315 2614 3366 3607 2246 1991 2329 2571 2305 2085 2610 2942 2164 1 3424 3627 2413 2333 2912 1 2445 2619 3094 2713 2468 1851 1742 1 1617 2064 2919 2425 2359 2820 2134 2354 1216 2764 1605 2134 2574 2796 2687 2860 2971 2319 2713 2543 2333 2864 2359 2728 2177 2261 1740 2018 1793 1786 2670 2738 1 2945 2167 1962 1 2823 1 1 1912 1326 1974 1827 146.059 *146.0598* 146.0598@1.435257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0598 *146.0614* 146.0614@2.8076465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 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 1 146.0614 *146.0633* 146.0633@3.3216665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3202 3351 1 1 1 1 2197 2626 1 1 2793 2908 1 1 2366 2512 1 1 1167 1 146.0633 *146.065* 146.065@2.851892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.065 *146.0656* 146.0656@2.0918102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0656 *146.0671* 146.0671@3.3262594 1 1 1 1 1 1 1 1825 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 2058 1 1 1513 1 1 1429 1 1522 1 1 3255 1 1 1 1 1972 1 1 1 1 1 1739 1 3051 3255 1 1 2608 1368 1 1 1 1 1 1 1 1 1 1 1 1 1 4479 1 1 1 1 1 1 1 1 3018 3896 146.0671 *146.0684* 146.0684@2.089097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 146.0684 *146.0685* 146.0685@2.870474 1 1 1354 1 1 1 1 1005 1 1 2047 1771 1 1 1 1 1290 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15464 15737 1 1 1 1 1 1 1 1 1 1 146.0685 *146.0689* 146.0689@6.909224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1709 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 146.0689 *146.0692* 146.0692@6.871632 1 2339 1 1 2826 2839 3128 1 1 1 1 1 1 1 1 1 1169 1569 3288 1 1 1 1 2998 1 1 1 1219 1901 1 1 1 5200 1 1 1 1 1 1 1 1 1 1 2635 1 1 1 1 1 3300 1 1 1 1 1 1 1 1 1 1 1 1 1 5361 1 1 1 1 1 1 1 1 1 1 1 1 1 1858 1 1 1 1 1 1 5289 1 1 1 1 1 146.0692 *146.0693* 146.0693@4.18781 1 1 4570 1 1 1 1 2632 5038 10214 1 1 1 8989 4013 4678 1 1 6978 10223 2619 2509 1 2463 1 1 1 2959 1 1 4219 4330 1 1 1 1 5306 1175 8220 4667 1 1 1 1 4366 10757 1 1 1 1 1 1 1467 1 1 1 1 3721 1 1 1 1 1 1 3169 3558 1 1 5890 5667 1 4780 1 3704 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 2544 1 146.0693 *146.0698* 146.0698@3.3316898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 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 2930 1 1 1 1 1 1 1 1 1 1 146.0698 *146.0722* 146.0722@2.0435088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 146.0722 *147.0173* 147.0173@1.305016 1 1 1 1 3787 5116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0173 *147.033* 147.033@1.1023052 1 1 1 1 1298 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 1198 1 1473 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.033 *147.0371* 147.0371@2.1960654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2766 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0371 *147.0527* 147.0527@1.5987672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1869 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0527 *147.0547* C6 H5 N5 3940 4566 5911 5642 6036 4697 5425 4903 5876 5642 4560 5294 8167 7913 4873 4843 3987 4241 6872 6265 5104 4375 5350 6869 3625 3651 3140 5027 4683 4976 6604 6638 7455 6552 5924 5638 10101 9476 8670 7903 4901 4994 5580 5536 6627 6898 5952 5848 4623 5126 1236 4625 5281 4705 4554 4924 4124 3997 5819 6285 7432 4440 4075 4512 3385 3323 4464 4135 7657 5429 9802 6034 3495 3568 4962 4131 6432 4564 6131 5436 6269 9343 4888 5769 6596 7845 3529 4538 5225 7986 147.0547 *147.0556* 147.0556@2.5125313 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 2256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0556 *147.0744* 147.0744@1.7788756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0744 *147.0783* 147.0783@6.855687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1365 1 1 1 1 147.0783 *147.0812* 147.0812@1.5046163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0812 *147.0879* 147.0879@0.836205 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 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 1 1 1 1 1 1 1 1 1 1 1998 1 1 1 147.0879 *147.088* 147.088@3.3966208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.088 *147.0883* 147.0883@1.264688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0883 *147.0887* 147.0887@1.3241855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 147.0887 *147.0888* 147.0888@5.9538727 1 1 1 1 1 1 1 1 1 1 2055 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0888 *147.0889* 147.0889@6.720658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4283 5234 1 1 1 1 1 1 1 1 1 1 147.0889 *147.0891* 147.0891@3.9772894 4384 1 2369 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 2502 1 1 1 1 1 1 1 1 1 1 1 1 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 3746 3572 3256 2346 5023 5870 4480 5115 9002 8192 1 1 1 1 1 1 1 1 3653 4125 1 1 1 1 1 1 1 1 1 1 147.0891 *147.0894* 147.0894@5.9315658 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.0894 *147.1043* 147.1043@1.1973405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16580 15725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 147.1043 *147.9807* C7 O4 10993 2940 10435 10527 2901 2647 9347 13576 17429 16788 14715 14812 14547 10517 12293 2776 16331 11582 13220 9436 3534 11139 18436 19030 10385 7356 2796 12295 6838 2265 16262 16211 9528 12887 14878 14657 21164 14628 21306 20622 12906 12196 11526 3848 13255 12514 14496 4183 8886 8173 15785 17447 15992 17063 10013 10566 8897 4487 16925 17653 25456 24815 13461 19069 15060 14650 9360 12251 18721 19482 24979 25164 10133 9976 15090 15226 20847 21690 28662 28130 7033 23375 17443 17740 27821 28905 6959 9294 27660 26897 147.9807 *148.016* C8 H4 O3 65166 62452 63519 64528 71420 70328 71380 72457 68285 69418 54242 57084 90053 91978 65944 76410 48107 47879 69535 68417 70291 69847 81977 80017 63512 58956 72462 69504 75250 72175 57490 55007 53350 55831 51617 51141 53211 52472 51500 51312 50130 48097 60105 59344 11904 51024 49706 46931 44134 45818 49020 49918 67158 67589 39758 39116 53022 51082 50471 48415 42137 13968 42255 40737 39810 39396 33088 34798 34262 36805 25757 24707 41249 41129 42189 42201 33699 33937 37549 36968 44204 41966 34324 34380 39643 41195 38772 38535 35527 46643 148.016 *148.016* 148.016@1.0682414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38104 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 27308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10690 1 148.016 *148.0168* 148.0168@1.3096972 2041 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 148.0168 *148.0199* 148.0199@1.2257862 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0199 *148.0407* 148.0407@3.7574477 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0407 *148.0513* p-HYDROXYCINNAMALDEHYDE 3763 3321 3278 3150 3742 3362 1 3944 3183 3845 1 3306 3742 3457 4104 4278 3084 3795 2602 3004 4007 3589 3746 3656 3490 1 3494 3436 3450 3563 2900 1 2818 3422 3514 3203 2532 3303 3679 3427 1 3142 3201 3397 3428 3687 2949 2732 2829 2928 2427 3569 2763 3817 3662 3716 3513 3997 3472 3544 3343 3197 1 3452 3609 3813 3545 3770 3437 1 2774 2170 4091 1 3316 3555 3077 3102 3674 3600 3590 3253 1 3112 3152 3808 3411 1 3109 3430 C05608 148.0513 *148.0524* 148.0524@5.640989 1 1 1336 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 28451 1 1 1 1 1 1 1 1053 1 1252 1 1 1 1 1 1 1 1 1 35627 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 36654 1 1 44222 41997 1 1 1 63982 1 25716 1341 1 1 37526 1 1052 1 1 41978 1 1 1 1 1 49378 1517 1 1 82039 81805 1 1 148.0524 *148.0532* 148.0532@1.13714 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 2606 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 3047 1 1 1 1 1 1 2969 1 1 1 3357 1 1 1 1 1 1 1 1 3013 1 1 1 1 3519 1 1 148.0532 *148.0534* 148.0534@2.506 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 148.0534 *148.0625* 148.0625@2.1052642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0625 *148.0641* 148.0641@1.3038913 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 1 2552 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 7237 7026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 148.0641 *148.0644* 148.0644@1.5894363 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2417 3483 1 1 4103 3006 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 5675 6052 1 1 1 1 1 1 2284 2017 148.0644 *148.0718* 148.0718@2.2826214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1 1 1 148.0718 *148.0725* 148.0725@2.285311 1 1 3621 1 3697 1 3070 3448 1 4193 1 4052 2559 2500 1348 1 1557 1 4850 3967 1 2687 1 3232 1 2726 1 2959 1 1 1 1 1 3237 3020 2834 3860 3871 3722 3606 1314 4379 1469 2161 1 1 1 4324 1 1 1 2947 4095 3050 1 1766 1 1644 1 1 3987 1 4578 4363 2774 3888 4778 1756 1 1 4809 4527 1941 1555 2048 2658 3725 4104 8511 2547 1 5038 2526 1269 5300 5104 1 3742 1 4888 148.0725 *148.0728* 148.0728@1.4902723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 148.0728 *148.0732* 148.0732@3.2808757 1 1 1 1 1 1 1 1 1 1 6356 6495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10888 11186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0732 *148.0734* 148.0734@1.509529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21691 20787 1 1 1 1 1 1 1 1 1 1 148.0734 *148.0836* 148.0836@1.0855392 1 1 1 1 1 1 1 1 1 1 1 1 1441 1176 1 1 1 1 1 1 1 1 1 1178 1 1 1099 1 1 1003 1168 1 1 1 1019 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1171 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0836 *148.0855* 148.0855@1.0853246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0855 *148.0891* 148.0891@1.0900755 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1086 1 1 1210 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 148.0891 *148.0991* 148.0991@5.9893103 1 1 1 1 1 1 1 1 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 4681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0991 *148.105* 148.105@1.2072196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4076 1 1 1 1 1 1 1 1 1 1 148.105 *148.1133* 148.1133@1.0898204 1 1 1 1 1 1 5316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.1133 *148.121* 148.121@6.488598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11707 11790 1 1 1 1 1 1 1 1 1 1 148.121 *148.121* 148.121@1.0406855 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.121 *148.996* 148.996@4.2955065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3190 3235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.996 *149.0483* 149.0483@1.7485543 1 1 1 1 1 1 1 1 1 1 1837 2501 1 1 1 1 1 1059 1 1 1 1 1 1 1 2195 1 1 1 1 1 1 1 2179 1 1 1 1 1 1 1 1 1 2787 1622 1 1 1 2086 1 1 1 2812 1 1 1 1 1 1 1 1 1 2506 4049 2906 1 1 1 1 1 1 5085 1072 4885 1 1 1 4248 1 1434 1 1 1 1 2252 1 1 1 1 1 149.0483 *149.0483* 149.0483@1.7226707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0483 *149.0485* N-Acetyl-p-benzoquinonimine 2989 4243 1 1 4077 3765 3021 3805 5422 5637 3107 2300 7515 7669 4013 4348 5469 4064 5483 6209 6923 6745 2541 5268 3754 2032 4897 4879 1 2446 1 1 7912 3008 1 1413 1 1 2253 4227 4187 2100 4359 1416 4258 6395 1 1 2639 10293 9638 9974 4572 6482 3905 3461 3549 3488 2505 1 3273 4358 2329 1 4695 7346 3802 1449 1 1 8940 4352 1 1 3669 1 3543 1 4377 3266 15122 14424 15010 13546 2457 5661 1 1 55095 55137 149.0485 *149.0507* Methionine 5980 6352 14506 14547 13978 13197 17474 16938 7426 7772 10231 8677 8635 9434 9611 9049 20326 20851 8954 10390 15745 15123 6636 6818 9056 7336 16541 16172 9678 9730 9911 11057 14739 15102 10029 9845 8116 6881 13472 13432 11567 11860 13369 12411 12834 11884 14590 14530 23579 23260 11670 12671 13099 12132 8506 8699 15623 18083 8752 8152 15582 15748 24991 24790 19421 19602 25138 25980 14757 13727 16478 14741 12119 9158 25244 23544 10063 9199 10587 9233 13420 13987 5568 5009 9755 8841 15812 13812 15770 15563 C00073 149.0507 *149.0511* Methionine + 5.8419194 1440 1780 1940 2054 1851 1 2009 1854 1812 1621 3012 1 1684 1559 1329 1740 2173 2090 1974 1831 1 1380 1083 1183 2030 1869 1 1600 1326 1288 2199 2070 1879 2062 1366 1 1351 1519 1842 2274 1 2620 2247 2244 1593 1383 1837 2067 1596 1513 2009 1996 2396 2139 1951 1730 1709 1641 1905 1 1 3691 2370 2011 1 2746 1822 1977 1 3006 1 1 2997 2863 2276 1980 2881 2983 2237 2346 1 1 2315 2784 3378 1 1 1 2371 2470 C00073 149.0511 *149.0589* 149.0589@2.9676213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28121 27348 1 1 1 1 1 1 1 1 1 1 149.0589 *149.069* 149.069@2.0309405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 1 1 1 1 1 1 1 1 1 1600 1576 1 1 1 1 1 1 1 1 1 1356 1 1 1641 1 1 1 1 1 149.069 *149.0712* C5 H12 Cl N3 1 1360 1374 1338 1 1 1773 1 1375 1 1762 1922 1902 1712 1 1688 1950 1 1779 1 1 1 1 1 1 1 1 1310 1 1 1 1 1679 1 1346 1239 1616 2290 1978 1969 2685 2241 1172 1707 1172 1 1 1131 1 1 1634 2002 1051 1 1393 1329 1 1 1682 1 2252 1 1447 1709 1819 1037 1627 1743 1818 1 3005 2708 1 1 1 1407 1 2099 1193 2123 2972 2856 2264 2617 2483 2810 1692 1481 1527 1671 149.0712 *149.0756* 149.0756@6.0743685 1 1 1 1 1 1 1 1 1 1798 1 1 1 1 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0756 *149.0811* 149.0811@1.2989032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0811 *149.0814* 149.0814@2.2850127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0814 *149.083* 149.083@2.1909122 1 1 5173 4025 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 1 1 1 1 1 1 1 1 1 1 1 1 5461 4707 1 1 2817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8341 8458 1 1 1 1 1 1 1 1 149.083 *149.0853* 149.0853@2.2870224 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 149.0853 *149.1031* 149.1031@5.844289 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1234 1 1 1 1488 1 1 1486 1 1 1 1 1190 1 1332 1 1 1 1909 1 1564 1 1 1 1 1 1 1 1 1745 1292 1 1577 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1269 1 1 1 1 1 1 1 1 149.1031 *149.1047* Trolamine 1 1 1 1 1 1 6846 5893 1899 2288 6130 6109 1 1 1 1 1 1 1 1507 1 1 1 1443 1 1 7509 7024 1 1363 2111 1981 1 1 1 1 3186 3490 1962 1556 1 1 1 1 1585 1999 1 1 1 2245 1 1 1 1 1 1175 1529 2290 1312 1400 12274 14267 1246 1 1449 1792 1445 1 1726 1432 5017 5212 1513 1545 1 1 1 1 4664 4095 1 1 1436 1 1 1 1858 2079 1257 1 149.1047 *150.0302* 150.0302@6.854535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 150.0302 *150.0307* 150.0307@6.870276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4096 2462 1956 1829 1117 1 1 1 1 1 3391 2619 1 1 1497 1604 1 1 1 1 6663 7762 1 1 1 1 5169 6029 3476 3614 6015 5608 1 2232 5394 6457 3771 3914 2471 2335 150.0307 *150.046* 150.046@2.1733835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 150.046 *150.0519* 150.0519@2.2222328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 150.0519 *150.0559* C6 H6 N4 O 15833 15691 17607 16260 12188 12778 17714 19182 15401 14055 19683 22654 16773 16164 17517 18329 17645 18730 22019 22892 20529 18772 20101 20450 8777 7041 11610 12641 10788 10510 22595 21646 21093 22316 18629 18631 21804 22105 19904 22172 24092 22149 11830 12837 12767 11235 18931 19560 20910 24019 12327 12250 19260 19394 11660 11114 1 9377 15339 23033 20919 21981 16722 16144 27322 28655 36321 36831 15824 16305 21483 22679 14722 12739 20621 20963 14496 13282 28393 27250 18799 17671 12626 11428 28959 30105 15748 14538 19109 18295 150.0559 *150.0576* 150.0576@2.3545165 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 3377 1 2313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4872 1 6442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0576 *150.0597* 150.0597@2.3183408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 150.0597 *150.0816* 150.0816@2.2749982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 1 3505 1 1 1 1 1 1 1 1 1 1 1 150.0816 *150.0826* 150.0826@1.3501495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0826 *150.0844* 150.0844@1.3019576 1 1 1 1 1 1 1 1 1 1 1 1 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 5341 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 1 150.0844 *150.0874* 150.0874@1.9009687 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 3280 2652 1 1 1 4629 1638 1 1 1 1 1 1 1863 1 3245 1 1 1262 1 1 1 1 1 2803 1 1 1 1 2303 4475 2596 1 1 2547 1 1290 2442 2912 3622 1 2423 4040 1 3944 3305 1 1 1 1 1466 1 1 1725 1 1 1 1 150.0874 *150.0882* 150.0882@0.62706715 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 1 1 1 1 1 1 1 2558 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 1 1 1 5228 1 1 1 1 1 1 1 2596 1 1 1 1 1 150.0882 *150.0883* 150.0883@0.9072643 1 1 1 1 5070 1 1 1 1 1 1 3369 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 1 1 1 1 2425 1 2087 1 1 1 1 5533 1 3099 1 1 1 1 1 3167 1 3750 1 1 1 1 1137 1 1 1 1 1 150.0883 *150.0884* 150.0884@1.7726582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23693 1 1 1 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26369 1 1 1 1 1 1 1 6537 1 1 1 1 1 1 1 1 1 34966 1 1 4060 1 1 1 2089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0884 *150.0886* 150.0886@2.913007 1 1 1 1 2258 1 1 1 2723 1 3387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3275 1 1 1871 1 1 1 1 1 1 1388 1 1 1 1 1 1177 1 1 1 1 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 1673 1 1 1 3826 1 1 1 1 1 1 1 150.0886 *150.0886* 150.0886@3.1648762 1 1 1 1 1 1 1093 1662 1 1 1 1 1 1 2557 2372 1 1376 2344 1 1 1 1 1 1 2819 1 1 1 1 3071 1232 1687 1 3028 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 2619 1 1 1 1753 2381 1 1 1626 1 1 1 1 1 1 1 2576 1 1205 1 1870 1 1294 2977 1 1 1 1 150.0886 *150.0888* 150.0888@0.7869768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 1 1 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 1777 1 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 3054 1 1013 1 2553 1 1 1 1 1 1 1 1 1 1 150.0888 *150.0888* C6 H14 O4 154597 157448 80833 112042 89898 125765 92131 97133 99474 103431 106933 109569 94897 96788 129929 119699 152257 150444 119285 107980 166531 170632 96136 113024 142860 140970 111144 120825 143677 144709 135308 134700 104082 112019 107911 104658 129907 133152 164747 162475 111286 119385 139629 139332 175585 169279 109413 119142 126691 100654 99697 98565 117419 121228 120230 128214 143520 147700 134743 135511 124631 123847 167353 169574 134458 132037 50585 124621 89736 137607 94593 99691 198579 193690 125402 126364 119021 122107 342947 379693 111621 113779 96193 90021 126850 127934 135789 137245 134773 70074 150.0888 *150.089* 150.089@1.4200281 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 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 2472 1 1 1 1 1964 1755 1 1 1 1 150.089 *150.089* 150.089@3.3856373 1 1 1 1 1 1 1833 1 1 1 1 1 1 1 1 2047 1 1 2714 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1316 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1731 1 1 1 1 1 1 1 150.089 *150.089* 150.089@3.4120965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.089 *150.0892* 150.0892@3.9698093 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 2049 1 1 1 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 150.0892 *150.0895* 150.0895@1.106234 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 1284 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 2004 1 1 3236 1 1 1 1 1 1 3173 1 3912 1 1 2833 1 1623 1 1 1 1 1 1241 2317 1 1 1375 2846 1 1 4885 1 1 1 1799 1 1480 150.0895 *150.0897* 150.0897@1.2922566 1 1 1 6128 1 1 1 1 1 1 1 1 5573 4882 1 1 7751 9088 1 1 4472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 3635 1 1 1 1 1 1 2764 1 1646 1 6866 7636 1 1 13567 15166 1 1 1 1 1 1 1 1 1489 1 5027 3914 1 1 1 1 4925 1 5191 8207 5527 4978 1 1 3076 1 1 1 1 2146 150.0897 *150.0901* 150.0901@2.1201198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0901 *150.0909* 150.0909@1.1997125 1 1255 7157 1 1 1 1 1 1 3257 1 1 1 1 1 1 1 2200 1 1 5727 4621 2166 4725 1 2321 1 1 3404 1 1 1 2641 1 1 1 2992 1 1 3652 1 1 4731 6180 1 1 1 1 2250 1 3094 1 3368 1 5061 1 1 1 1 6644 1 1 1 1 1 1 1 1 1 3399 3444 1 1 3646 3840 3421 1 1 1 1390 4099 8423 2885 4281 1 1 2592 1 1 1253 150.0909 *150.0913* 150.0913@2.2494733 1 1 1 1 1 1 1 1 1 1 1 1 1 23429 1 1 1 13340 1 1 1 1 1 1 1 8996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16645 1 1 1 1 2530 1 7352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15064 16078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.0913 *150.0914* 150.0914@1.2017852 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 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3903 1 1 1 1 1 1 4375 1 1 7009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2623 1 1 1 1 1 1 1 1 1 3161 150.0914 *150.0915* 150.0915@2.1931212 1 1 209435 204983 1 1 1 1 41675 40929 1 1 80975 54376 1 1 47984 35054 1 1 84103 81993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42959 51691 1 1 1 1 22064 14982 1 1 1 1 194224 195962 1 1 192610 209480 1 1 1 1 1 1 1 1 1 1 49810 47958 1 1 52173 51807 1 1 1 1 337802 333016 1 1 1 1 1 1 92202 90747 150.0915 *150.1324* 150.1324@6.3884645 1 1 1 1 1589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.1324 *150.1355* 150.1355@1.1978365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 150.1355 *150.1919* 150.1919@1.6295884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4519 1 1 1 1 1 1 1 1 1 1 150.1919 *151.0141* 151.0141@1.283396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1 1 1 1 1 1 1 1 1 1 1 151.0141 *151.0146* C3 H6 Cl N3 O2 2395 2131 2647 2405 2403 1977 1886 2691 2989 2428 2776 2957 1975 1288 2606 2718 1902 1 2704 3685 2753 2810 1 2846 2667 2539 2407 2765 2503 2440 2765 2906 2729 2944 2972 2583 3395 3501 2327 3180 2841 2643 2766 2703 2011 2705 2998 2871 2919 2369 2339 2882 1489 2695 3086 2829 1237 1 2785 3356 2580 2287 2230 1759 2316 1776 3069 2308 2503 2773 2359 2132 2264 2337 2227 1 1442 1468 2549 2657 1739 2112 2179 2365 2493 2319 1124 2412 2679 2726 151.0146 *151.0153* 151.0153@4.0816793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0153 *151.0269* 151.0269@5.8408036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4233 1 1316 1 151.0269 *151.0284* 151.0284@6.852917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 151.0284 *151.0391* 151.0391@3.7781017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1251 1 1 2914 3037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1629 1 1 1 1 1 151.0391 *151.0437* 151.0437@3.7840884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1788 1142 1413 1 1 151.0437 *151.0491* 151.0491@1.3473587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2730 1 1 1 1 1 1 1 1 1 1 1 151.0491 *151.0561* 151.0561@1.317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5458 1 1 1 1 1 1 1 1 1 1 151.0561 *151.059* 151.059@2.4532292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 151.059 *151.0632* 151.0632@1.9962006 1 1 2769 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 151.0632 *151.0632* 151.0632@0.84246284 1 1 1 1 1 1 3861 3721 1 1 1 1 4015 4307 1 1 6612 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 14343 15685 1 1 1 1 1 1 1 1 4265 4584 1 1 1 1 1 1 1 1 1 1 10441 9733 151.0632 *151.0634* 151.0634@3.507753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4702 2329 151.0634 *151.0635* 151.0635@1.2248768 1 1 1 1 1 621148 1 1 1 1 1 1 447644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 78285 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 1 151.0635 *151.0638* 151.0638@1.2575138 1 1 1 1225 631826 4466 235437 237153 1385 1 2366 2317 6284 443558 1 1 1124190 1069562 1 1 1 1 1 1 1055 1 1 1 3213 3003 1 1 1 1 1905 1756 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 2957 2355 1 1 2046 80443 1 1 1 1 1 1 1 1 626703 616685 2759 2674 2537 1 1 1 2068 1138 558727 551888 1 1 1957380 2035393 1 1 1 1 2666 1106 2365282 2199776 151.0638 *151.0638* 151.0638@3.6202238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 6062 151.0638 *151.0641* 151.0641@1.5477722 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 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 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 2885 151.0641 *151.0642* 151.0642@3.5677228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 2465 151.0642 *151.0657* 151.0657@3.4589796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 151.0657 *151.0657* 151.0657@1.1969239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2308 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0657 *151.0672* 151.0672@0.8765469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0672 *151.0692* 151.0692@1.5835986 1 1 1 1 1 1 1 1 1 1 1215 1 1 2266 1 1 1 1 1305 1035 1 1 1265 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1342 1 1616 1130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0692 *151.0722* 151.0722@1.1940244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0722 *151.0774* 151.0774@1.2100832 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 151.0774 *151.0825* 151.0825@1.603863 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0825 *151.0876* 151.0876@1.222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2029 1 1 1 1 1 1 1 1 1 1 151.0876 *151.0897* 151.0897@1.6389673 1 1 1 1 1 1 3135 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 1807 1 1 1 1 1 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 1 1 1 1 1 3290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0897 *151.0937* 151.0937@2.2705061 1 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 3475 1 1 1 1 1 1 1 1 1 1 5309 1 1 1 5313 1 1 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 7280 1 1 1 1 1 1 1 1 151.0937 *151.0949* 151.0949@2.1820505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0949 *151.0968* 151.0968@1.4572618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 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 1 151.0968 *151.0975* 151.0975@1.2112514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 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 1 1 1 1 1 1 1 1 151.0975 *151.0985* 151.0985@1.2067573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.0985 *151.1069* 151.1069@1.2733965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.1069 *151.1109* 151.1109@1.3434474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.1109 *151.1181* 151.1181@1.2565855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.1181 *151.1668* 151.1668@1.1965009 1 1 1 1 1 1 3756 4038 1 1 1 1 9033 8683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 151.1668 *151.8902* 151.8902@1.1996343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 151.8902 *151.9119* 151.9119@1.1931756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 151.9119 *151.9466* 151.9466@1.192178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 151.9466 *152.0352* C10 H4 N2 5282 5017 5323 1 2904 1 7417 5732 1 3549 4215 3807 1 3645 5923 1 1 2861 1 1 3781 3368 5146 5698 1 2073 1 1 2776 4030 5662 4875 1963 2406 4905 6321 20352 19917 10952 1 11906 12495 1 3634 4159 3587 10056 7568 2878 1 1 1 5448 1 1 4678 1 1896 11130 14482 7564 6217 4612 1 1 3292 1 1 5834 5259 5655 3976 3496 1 1 2772 4788 1 5977 6112 4263 1 3881 4733 4271 6492 2063 1888 5735 5890 152.0352 *152.0373* 152.0373@2.9558778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 2395 1 1 1 1 1 1 1 1 4686 4305 1 1 1 1 3023 2410 2912 2698 3384 2681 2781 2567 3675 3736 1 1733 1 1 152.0373 *152.0391* 152.0391@1.9892397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0391 *152.0434* 152.0434@2.0971985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0434 *152.0468* 152.0468@2.1777964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0468 *152.0509* 152.0509@2.115336 1 1 1 2967 1 1 2746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 5775 1317 1 1 1 1 1 1 1 1 1 1 1 4187 1 1 1 1 1 1 1 1 1 1 2891 1 1 2319 1 1 1 1 1 1162 1 1 1 1 1 1 1 1 1 1 1279 1 1 2659 1 1 1 1 152.0509 *152.0519* 152.0519@3.1475558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2778 2390 1 1 1 1 1 1 1 1 1 1 152.0519 *152.0563* 152.0563@2.0594604 1 1 1 1 1 1 1 5502 84854 1 1 1 1 1 1 1 1 1 1 1 2454 1 1 1 1 1 2566 2198 1 1 1 1 1 1 1 1 1 1 1 1 3922 1 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1 1 1 1 1 9643 14146 1 1 13364 1 1 5000 1 1 1844 1 1 1 1 1 1 9947 1 1 1 1 1 1 1 1 1 1 4366 152.0563 *152.0573* N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) + 1.9801685 42572 45120 97138 98639 110147 124291 92232 90549 17525 1 197161 197390 68946 73925 62178 63293 80744 78770 137812 129219 35732 35629 46294 1 82845 84451 279468 287841 57535 61477 39511 37477 1437 1 82534 1 38259 40915 148761 137971 57073 1 93555 93296 82057 91306 51804 52739 164000 134503 129149 121076 1 121262 85770 85956 176536 1 27378 58060 86714 77963 175099 205733 169549 164501 278040 241270 61206 1 185317 175304 91928 93979 155469 1 82122 79630 77022 87617 165390 164450 130207 151846 8860 162809 126138 130841 57532 60481 152.0573 *152.058* N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) 49321 49006 86840 89146 128469 111124 88131 87446 124351 223682 183908 182469 108847 100769 76622 73938 91454 94915 162322 170718 43693 41541 61497 107283 72569 72189 255411 251177 76315 73559 37343 37360 456575 456058 73306 156304 1 1 144555 158059 63941 117026 104897 101882 96181 99234 43135 41635 218124 214734 129292 131263 264907 144993 96535 91642 239122 398095 37980 1 70111 72822 220207 206845 166619 173816 216318 220336 71786 144030 153112 165591 102670 95985 143140 298702 68125 72003 78984 77376 152640 160999 137615 130209 153392 140297 96933 99166 70841 67009 152.058 *152.0586* 152.0586@1.291048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7132 7069 1 1 152.0586 *152.0589* 152.0589@3.118752 1 1 1 1 1 1 1 1 1 1 1 1 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 1199 1 1 1 1 1 1 1 1 1 1 1 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 4027 4266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0589 *152.0638* 152.0638@1.291938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0638 *152.0668* 152.0668@2.350911 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 15858 1194 1 1 1 2206 1 1 1 1523 1 2560 1 1 1 22900 1 1607 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 9642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0668 *152.0681* L-arabitol 28665 31405 34705 40213 23862 25992 40376 41824 28566 31836 31702 1 26609 26366 27942 27726 29799 29472 53963 37091 27560 28670 44471 40976 24152 22064 25335 25819 29888 30656 36692 37320 33651 32634 18480 37853 66829 63110 47324 55377 51446 50585 35880 38894 33875 37798 49133 50023 26333 33524 56429 58930 59842 63235 33897 42528 24852 1 60458 54947 89564 89612 68061 67416 38104 37833 29805 34828 53192 52103 87884 93415 30145 24746 40427 37293 70003 69678 52357 53734 70346 68905 52640 55677 92623 96988 58120 59301 75422 67873 HMDB01851 C00532 152.0681 *152.0718* 152.0718@1.4340523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 152.0718 *152.0843* 152.0843@1.1383842 1 1 1 1 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 1 1 1 1 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 2048 1 1 1 1 1 1 2230 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1656 1 1 1 1 1 152.0843 *152.0857* 152.0857@1.4427115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1789 3182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0857 *152.0873* 152.0873@1.4354984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7079 5013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 1 1 1 1 1 1 1 1 1 1 152.0873 *152.0891* 152.0891@1.14544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 2496 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0891 *152.0915* 152.0915@6.253696 1 1 1 1005 1 1 1 1 1 1 1 1141 1 1 1 1 1148 1 1 1042 1 1 1 1 1 1 1571 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1442 1296 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1009 1 1123 1292 1251 1218 1001 1 1 1 1260 1099 1213 1 1 1 1329 1193 1 1 1 1021 1591 1500 1824 1624 1152 1476 1 1 152.0915 *152.0915* 152.0915@1.6545722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.0915 *152.0933* 152.0933@5.55301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1405 1 1 1 1 1 1 1 1 1 1 152.0933 *152.107* 152.107@1.213756 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.107 *152.1113* 152.1113@1.3114316 1 1 1 1 1532 1 1 1196 1 1 1 1 1598 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1651 1 1 1 1 1 1 1 1 1 1 2872 1878 1190 1 1 1781 1 1 1 1 1 1 152.1113 *152.1151* 152.1151@1.1534752 1 1 1 1 1 1 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 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 1 152.1151 *152.1177* 152.1177@1.0657809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 1619 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1177 *152.118* 152.118@1.2113868 3458 3666 2662 2545 1 2507 2176 1821 1353 1 4118 3861 7606 1245 1768 1849 1 1 9179 9111 8700 5499 2007 2193 2884 1 4039 3012 5318 5027 1547 1882 2771 2876 3531 2935 1807 6950 2008 2372 3752 4501 2571 3046 1646 1999 3897 2502 9099 10272 5434 4904 6159 5465 1 1 1 2141 8975 9884 1 1 1970 2333 1 2387 1164 1 13293 13436 2817 2929 4091 4171 7403 6870 1 1 4395 4272 1 1 1530 9159 2340 2740 5590 4548 1 1 152.118 *152.1182* 152.1182@1.4713396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4760 3060 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1182 *152.1191* 152.1191@1.2100706 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1191 *152.1196* 152.1196@1.3486959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 14907 16401 1 1 1 1 1 1 1 1 77978 78100 2381 2609 1 1 4137 2459 11226 15127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9255 1 1 1 1 1 1 1 152.1196 *152.1295* 152.1295@4.3133297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1187 1 1 1 1 1 1 1 1 1 1 1 152.1295 *152.1313* 152.1313@4.7366004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16163 16563 1 1 1 1 1 1 1 1 1 1 152.1313 *152.1616* 152.1616@1.981965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4913 1 1 1 1 1 1949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1 1 1 1 2566 1 1 1 1 1 1 1 1 2330 1 4196 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1721 1 1 1 1 1 1 1 152.1616 *152.1626* 152.1626@1.9288777 1 1 1594 1155 1697 1 1192 1224 1 1 1393 1273 1 1859 1 1 1 1 2318 1 1 1 1 1 1 1 4435 4756 1 1 1 1 3126 4794 1 1 1 1 1940 1 1 1 1493 1 1 1 1 1 4398 3399 1892 1 2815 1197 1 1224 3774 3089 1 1 1 1 2531 3289 2482 2177 3061 3756 1 1 2473 2156 2496 1 3588 2784 1 1 1 1 2162 2630 1390 1626 2043 2620 1 1192 1 1 152.1626 *152.1628* 152.1628@2.3712559 1 1 1488 1 2195 1686 1 2296 1856 2519 1 5089 1224 1434 1307 1 1 1 1806 3424 1 1 1 1 1712 1702 8938 9363 1 1 1 1 8666 7639 1244 1 1 1 4046 5522 1 1 1741 1 1 1675 1 1 6920 4792 4016 2238 3972 3687 1509 1776 6138 6939 1 1 1 2346 5952 5445 6631 1 7353 4408 1 1711 2608 4461 1600 1 1 1 1 1 1 2147 5437 3355 1 1387 4273 3882 1911 2389 1 1 152.1628 *152.1631* 152.1631@2.40036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3003 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 152.1631 *152.1709* 152.1709@1.1969556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 3386 4652 152.1709 *153.0099* 153.0099@2.8861506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5548 6628 1 1 1 1 1 1 1 1 1 1 153.0099 *153.0407* 153.0407@4.8216248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 153.0407 *153.0429* 153.0429@1.2301779 1 1 1 1 1 5437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 1740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0429 *153.0459* 153.0459@2.6110148 1 1 1 1 9894 10387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0459 *153.0481* 153.0481@1.234077 1 1 1 1 5436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0481 *153.0519* 153.0519@7.0022697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6697 1 1163 1 1 1 1 1 1 1 1 4145 153.0519 *153.0535* 153.0535@2.1933248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0535 *153.0538* C6 H7 N3 O2 12836 1 13754 1 13487 14579 1 12535 15379 15251 18087 8526 10302 1 12167 11357 14288 14110 14805 15301 26595 25758 22682 22848 4481 4523 12000 13813 7463 2341 14504 1 28509 27750 10771 12266 1469 13833 8862 9354 10986 11832 2292 1 3911 1 11013 10818 22032 22059 14083 14381 13195 1 7217 7828 8887 1 1 8312 1 1104 12020 6301 1 1 22203 19443 9121 10357 14588 17627 9969 10028 13315 12786 15444 1 1 4100 5830 12791 7796 3824 23813 23162 10545 11123 1 1 153.0538 *153.0545* 153.0545@2.173513 1 12549 1 14869 1 1 20290 1 1 1 1 9422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5091 1 14453 1 1 1 1 7890 1 1 1 1 1 4939 6847 1396 4732 1 1 1 1 1 1 1 12667 1 1 1 9060 3145 1 3694 2272 1 5028 4794 5985 1 1 1 1 1 1 1 1 1 1 1 6994 10133 4808 7582 1 1 1 1 1 1 1 5480 7235 153.0545 *153.0608* 153.0608@1.9575586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 4235 1 1 15255 1 1 1 1 1 1 1 1 1 1 1 1 15166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0608 *153.0623* 153.0623@1.9760584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0623 *153.064* 153.064@3.4819586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 153.064 *153.0656* 4,6-Diamino-5-formamidopyrimidine 6653 6765 7463 6823 5637 5348 6578 6599 6599 7080 7788 6982 6247 6705 5222 5283 6428 5998 4024 5035 5742 6292 6861 6425 5408 5349 7237 6580 4834 5417 1274 1007 7255 7526 7275 7358 8575 9681 8108 3788 6365 7318 6287 5894 7152 6366 7680 8094 5040 7840 4953 5053 8370 8620 6344 5770 6162 6340 8032 8800 10399 10233 8777 8107 2704 6083 8775 9431 5166 10231 8331 8113 6141 4890 6393 5478 7229 7137 6465 6350 7471 8765 6726 6686 7770 7970 7209 7100 8326 8212 HMDB04816 C06502 153.0656 *153.0666* 153.0666@2.4854271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0666 *153.0691* 153.0691@3.5225396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4440 3510 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 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 1 1 1 5160 1 1 1 1 1 1 1 1 1 1 1 1828 1 1 1 1 1 1 1 1 1 153.0691 *153.0702* 153.0702@2.512181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 153.0702 *153.0726* 153.0726@1.2033839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0726 *153.0749* 153.0749@1.2746559 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1624 1761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2718 1078 1 2300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0749 *153.0771* 153.0771@5.786154 1 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 1 1 1 1 1 2422 1 1 1 1 1 1 1 1 1 1 2524 1 1 1 1 1 1 1 1833 1 1 2957 1 1 2312 2048 1 1 1 1 1 1 1 1842 1992 1 1582 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 153.0771 *153.078* 153.078@1.8124485 1 1 1 1 1792 1 1 1 1 1 3061 5115 2054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 3901 1 2949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3815 4895 1 1 1 1 1 1 1 2307 1 1 1501 1 1 1 5312 7435 1747 2586 4420 3896 1 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 153.078 *153.0781* 153.0781@1.865694 1 1 1 1 1136 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 1441 1 1 1 1 1 1 1 1 1 1 1 2400 1 1 1 1388 1 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1 1 153.0781 *153.0792* 153.0792@3.7551665 1 1 1 1 1 1 1 1 1 1 1971 2486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 2147 2343 1 1 1 1 1 1 1 1 1761 2062 1 1 1 1 1 1 1 1 1 1 153.0792 *153.0795* 153.0795@1.5357108 1 1 1 1 1871 1783 2826 2385 1 1 1 1 1 2115 1 2081 1 1 1 1 3326 2028 2513 1 2525 1 2356 1261 1355 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1944 3118 1 1 1 1 1 1 1446 1 1 1536 1 1 1 1 1 1 1 1476 1 1943 1 1 1 2356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0795 *153.0796* 153.0796@1.2872372 1 1 1 1 1 1 1 1 1 1 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1705 1 1 1 1 1139 1133 1 1 1 1 1 1 1523 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4357 2876 1 1 1 1 4637 4741 3806 2569 3655 3833 1 1 1 1 1 1600 1 1762 1 1 1 1 1 1 1 1 1 1 153.0796 *153.0801* 153.0801@1.4448636 1 1 1 1 1 1 3045 1720 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0801 *153.1074* 153.1074@1.21775 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.1074 *153.1138* 153.1138@1.6481934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8252 8705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.1138 *153.1222* 153.1222@1.4598538 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.1222 *154.0367* 154.0367@3.4803119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8687 1 1 1 1 154.0367 *154.0377* 154.0377@2.2161975 1 1 1 1 3145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26865 1 1 1 1 1 1 1 1608 1 1 1 1 1 1 1 1 1 1 1 55240 1 1 1 1 1 1 1 1 1 1 1 61631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0377 *154.038* Acipimox 45584 41451 58292 57032 36260 38004 48340 49915 45933 48058 72287 75653 38581 36517 49743 49201 50094 50183 59284 58879 67739 68023 36849 39279 32233 32173 67773 65331 2992 30033 88340 89057 66221 66207 54707 54422 58731 60818 52063 51587 49097 48350 49910 46306 42898 42340 49603 51324 9417 62996 55480 53356 53920 52752 36552 35817 48968 51648 35188 32999 12852 72402 68440 67152 63840 63466 122476 123834 64269 64707 96122 95420 39769 38936 65185 63832 61224 62363 59471 61084 63189 60959 52376 56312 91161 89247 78849 77583 55581 54940 154.038 *154.0391* 154.0391@3.4699395 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2066 1696 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 1 1 1776 1778 1 1 1 1 3718 3685 1 1 1 1 1 1 1 1 1 1 1 1 1521 1712 1 1 1 1 1 1 1 1 3086 3189 1925 1 1457 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 2315 154.0391 *154.0396* 154.0396@3.1605866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1596 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 1 154.0396 *154.0401* 154.0401@1.0744463 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 1 1 1310 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 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 1 154.0401 *154.0425* 154.0425@1.1012003 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1314 1 1 1866 1926 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 1416 1 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 1625 1 1 1 1 1 1 1 1 1 1 154.0425 *154.046* 154.046@3.46409 1 1 1865 1652 1 1 1 1 1 1060 1 1863 1 1 1 1 1 1 1 1 2678 2563 1 1 1 1 1 1624 1 1 1 1 1 1347 1 1 2073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 2208 1 1 1 1 1 1 2171 2230 1 1 1 1 1 1 1 1 1 1 39598 41524 1 1 1596 1 1 1 2966 2733 2166 1 154.046 *154.0522* 154.0522@3.473435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 154.0522 *154.0548* 154.0548@2.3591747 1 1 1 1 1 1 1 1 1 1 1281 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 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 2500 1 1 1 1 1 1 154.0548 *154.0605* 154.0605@2.3810942 1 1 1 1 1 1 1 1789 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 2644 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 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 1 154.0605 *154.0632* 154.0632@1.0509027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7190 9736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0632 *154.0666* 154.0666@1.0790085 1 1 3601 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4280 4840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0666 *154.0671* 154.0671@1.9718155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0671 *154.0708* 154.0708@1.9657338 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 1 1 1 1 1 5768 1 1 1 1 1 1 1 1 1 1 1 1 1 3250 1 1 1 1 1 1 1 1 1 154.0708 *154.0714* 154.0714@1.3937937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0714 *154.0726* C7 H10 N2 O2 127957 128889 131105 135471 124263 123951 133400 134066 136388 141681 134636 135624 129657 131683 139161 137267 132908 129706 135511 138889 131151 130942 133081 131542 127569 123744 134066 134203 120566 120281 138111 136111 142985 141687 131877 129234 121691 125563 137482 141004 138825 138793 135884 135117 135119 134586 129947 129444 120247 119981 150638 155591 140080 142124 155765 152155 146430 148072 127668 128304 185699 187276 155862 154468 178783 173070 168703 162662 141350 140566 184758 184549 144411 147368 158943 157175 171737 177801 182460 170770 180466 177677 173494 173147 182490 182685 189272 195652 164197 165306 154.0726 *154.073* 154.073@1.9262365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1607 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 2229 2733 1 1 1 1 1 1 1 1 1 1 3378 1 1 1 1 1 1 1 1 1 154.073 *154.0862* 154.0862@4.039491 1 1 1 1 1 1 1 1 1 1 1 1 1 2012 1 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3486 1 2231 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 1 154.0862 *154.0887* 154.0887@1.2048272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 154.0887 *154.0903* 154.0903@1.6571666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 154.0903 *154.093* 154.093@1.2106123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1868 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 1 154.093 *154.0953* 154.0953@1.1662226 1 1 2200 1874 1558 1 1 1 1 1 3892 2608 2540 2034 1 1 5003 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4806 1 1546 1 1 1 1 1 1 1 1 1 1 1 1 2262 1 1 1694 1 1 1 1 1763 2770 1 1 2360 3067 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 1 1 1 1 154.0953 *154.0986* 5,7-nonadienoic acid 1621 1818 2112 1716 2366 1702 1690 1 1568 2606 2477 2431 6841 2495 3014 2439 1 1 1625 2987 1978 3376 1195 1350 1 2925 3659 3072 2010 2766 1754 1483 48732 47525 3311 2828 3862 3846 3420 3274 2259 2776 3018 3783 9735 9748 2124 2361 3665 4382 2442 2227 2800 2857 1606 3726 2634 1 4002 3030 2516 2265 2216 2673 2554 2134 5468 5545 2915 1371 2326 2708 2168 1 2376 2710 2970 3046 5543 4140 2347 2067 3315 3681 3276 2660 4720 4496 1 2360 154.0986 *154.0997* 5,7-nonadienoic acid + 1.1411649 2535 3129 1 1 1 1 2696 1 2783 3039 1 1 1 1 1841 1549 1 1 1 1661 2797 2462 3033 3561 1 1 1 2889 1693 1 1 2035 2444 2402 1421 2386 1145 2056 1 3255 1 1 1144 1 1702 2090 1 1773 2161 1908 1 3233 2385 2850 3727 1 1 1 1 1 1863 1704 1 1582 1 1 4628 2633 1 1 1 1 2029 1 1800 1647 1 1 2516 1 1 2294 2538 1 1673 1327 1700 1 1 1 154.0997 *154.0998* 154.0998@1.707635 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.0998 *154.104* 154.104@1.1166036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 154.104 *154.1058* 154.1058@1.6791172 1 1 1 1 1 3577 1 3017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4688 6007 1744 1906 1718 1 1 1 1 1 1 1 1 1 1 1 1 1592 1 1 1 1 154.1058 *154.1078* 154.1078@1.7423139 3179 2645 1 1 6717 1313 2296 1 1 2745 1 2828 1 1700 2103 2222 1 1 4033 3316 1612 1671 2173 1837 1182 1 3514 6794 2502 2599 1933 1951 2266 1292 3166 2480 5062 3206 5911 3501 1 1 2375 2703 3748 5900 2090 2064 5264 6504 2082 2260 1800 1 2209 1 4243 3840 1 1 1 1 1 1 1478 1 2061 1 14319 14088 1 1 1 4215 1 1 1 1 1 1 3109 3462 2429 2864 1 1 1 1799 1 1 154.1078 *154.1079* 154.1079@1.7507225 1 1 1 1 1 1 1 1 2802 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1189 1 3093 1 1 1 1 1 1 2172 2189 1 1 1 1 1 1 1 1 1 1 1 1 154.1079 *154.1083* 154.1083@1.8407936 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.1083 *154.1219* 154.1219@1.1515212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.1219 *154.1286* 154.1286@1.1591814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 154.1286 *154.1409* 154.1409@2.1824543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.1409 *154.1462* 154.1462@4.340682 2375 3261 13005 11303 9366 8939 3686 3157 1 1023 1205 1664 1 1 1 1 1510 1425 3001 2746 2259 2218 1 1407 14917 13747 2016 1601 1 1 3694 4413 1 1 1 1 8217 7684 1340 1470 2772 2802 1105 1215 3510 3132 13688 11327 1858 1848 1 1 1 1 1453 1715 1111 1 4279 4428 1358 1404 2695 2833 3633 3966 1 1 2743 2972 7164 6513 1 1 1038 1 2224 2046 8943 9502 5642 5951 1 1 1 1 2268 1808 1 1 154.1462 *154.966* 154.966@13.181717 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 154.966 *154.9663* 154.9663@12.953291 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 2107 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 1 154.9663 *154.9665* 154.9665@13.386515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1335 1 1 1734 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 1 154.9665 *154.9666* 154.9666@13.420459 1 1 1 1 1 1 1 1 1 1 1122 1 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 1942 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 154.9666 *155.0349* 4-Hydroxyindole 2334 2795 3494 3371 2050 2405 3119 2845 2894 3233 3881 3863 2286 2753 2850 2625 3016 3142 3914 3928 2331 2676 2365 2276 3215 3373 4176 4294 2292 1765 2491 2420 2935 2711 2957 2801 3744 3319 3744 4389 4420 4231 2821 3122 2503 2423 3065 3000 2368 2440 3208 3327 3310 3055 3592 2792 2926 2700 2069 2157 5558 5489 3197 3469 3616 3807 3783 3118 4209 3773 5864 5999 3605 3403 3929 3701 5517 5968 9765 9686 4459 4684 5130 5148 4355 4488 6398 6224 2866 2937 155.0349 *155.0432* 155.0432@2.2038915 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0432 *155.0925* 155.0925@5.5511975 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0925 *155.0926* 155.0926@5.4592285 2177 1 2698 2464 1995 2154 1509 2079 1594 1 1 1 2157 2400 1 1837 1842 1789 2075 2545 1 1475 1 1506 1860 1849 2278 2026 1939 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.0926 *155.0944* ARECOLINE 1635 1793 12893 7457 3900 2146 98370 100428 1 6464 116780 121456 15731 15437 3162 6791 1 1 1101 4119 5965 1961 5150 1073 7944 5990 1293 4025 2164 1678 10980 5654 50095 28109 8211 2820 7154 6853 2332 9611 5645 3068 2998 1540 3056 3298 11911 15885 67861 62583 5131 4626 1411 1 1311 8614 1435 3475 4170 5424 42016 40092 4604 4821 1490 8440 25330 46891 49407 1121 9344 14862 41552 47368 2972 1166 7688 9627 4790 2732 6273 5451 18228 10783 4177 4879 11502 12430 7718 5106 C10129 155.0944 *155.0946* 155.0946@1.2138054 1 1 1 1 1 1 26231 29562 1 1 32768 34664 1 4085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10307 1 1 1 1 1 1 1 1 21881 9879 1 1 1 1 1 1 1 1 1 1 1 1 12107 1 1 1 1 1 1 155.0946 *155.0949* 155.0949@1.6112938 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 1 1 1170 1 1 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 2222 1 1 1 1 1 1 16092 1 1 1 1 1 1 2000 1 2666 1230 1 1 1 1437 1 1 1 1 1 1 155.0949 *155.0951* 155.0951@7.358918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6190 6249 1 1 1 1 1 1 1 1 1 1 155.0951 *155.0962* 155.0962@1.2366903 1 1 3592 3349 1 1 1 1 4494 1 1667 1 1 1 1990 1677 1 1 3592 1 1794 1748 1 1 1 1 1 1386 1 1 1 4099 1 1208 1 1 4188 5250 1 1 5464 1 1 1 1 1 1 1 1 1 1274 1052 1 1 1 4964 1747 2244 2002 3241 1 1 2536 2429 1 1 1 1 1414 1 1 1 1 1 1 1 4784 4881 5073 1 1808 2335 1 1 1 1 1 1 1404 1164 155.0962 *155.0962* 155.0962@1.5291631 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 1121 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 1527 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 155.0962 *155.0963* 155.0963@1.5646809 1417 1 1 6068 1069 3562 1 1 1 1462 1 1 1240 1 5051 1 1 1 6362 5252 7832 9187 1 1 1 1 2873 1 3971 3609 1 3044 1 21943 1 1 1 8322 6133 1 1 1 2725 1 4512 5660 1 1206 1 1 4649 4283 9310 1 1447 1 1 2808 4086 5530 1 1 1831 4687 8771 1 20084 1 1 36712 3634 2647 14423 1 2639 1 1558 2165 1206 2532 1 1 1 5811 1 2419 13477 1 1 1 155.0963 *155.101* 155.101@1.7089899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 155.101 *155.1011* 155.1011@1.2466143 1 1 1 1 1 1 1 1 1 2886 1 1 1 1 1 1 1 1 1 5546 1 1 1 1 4025 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 6367 1 3673 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 1069 2430 1 1 1 1 1 1 1113 1 1 1 155.1011 *155.1075* 155.1075@1.2122318 1 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 7357 1 1 1 1 1 1 1 1 1 1 1 1 18129 22261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1075 *155.1136* 155.1136@1.2152315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1136 *155.1163* 155.1163@3.46 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 155.1163 *155.1206* 155.1206@1.211423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7335 5110 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 19461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1671 1 1 1 1 1 1 1 1 155.1206 *155.1221* 155.1221@1.2138482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1 1 155.1221 *155.1264* 155.1264@1.2129276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1264 *155.1286* 155.1286@4.865473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1805 1 1 1 1 1827 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1286 *155.13* 155.13@4.2277746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.13 *155.1302* 155.1302@1.2094048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 23279 24439 1 1 1 1 155.1302 *155.1302* 155.1302@3.5390706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1302 *155.1366* 155.1366@4.33919 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 155.1366 *155.1404* 155.1404@4.3297396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.1404 *155.9473* 155.9473@0.93193126 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155.9473 *156.0061* 156.0061@1.0212197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0061 *156.0452* 156.0452@1.0953819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 156.0452 *156.0545* 156.0545@2.1704757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0545 *156.059* 156.059@1.7290664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3868 2195 1 1 1 1 1 1 1 1 1 1 156.059 *156.063* 156.063@1.669584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7980 1 1 1 1 1 1 1 1 1 1 156.063 *156.0641* 156.0641@2.2674594 1 1 1 1 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 1037 1 1 1 1 1 1 1 1 3659 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0641 *156.0642* 5-Hydroxypyrazinamide 1 1 1 1 3396 2913 3810 3676 2435 2606 6431 6726 1830 1862 1 1 1 1 2335 2488 1 1 1 1 1 1 1 1 1 1 2180 2247 3526 3314 1 2061 1 1 1 1648 2235 2267 1 1 1 1 1 1 1 1 1885 1628 4287 4605 1 1 1892 1928 1 1 11169 10710 1 1 8858 9662 3331 3492 7542 7245 17780 18079 2542 2324 6208 6094 22956 22672 6482 6502 9016 8868 5195 5380 32195 34118 13685 12986 2180 2770 HMDB01978 C01956 156.0642 *156.0654* C5 H8 N4 O2 1 1 1 1 1912 2573 2346 2853 3307 4110 5037 2229 3983 4066 1810 2031 1 1 1 2203 1 1 1447 1 1 1 2193 2504 1 1 2432 1504 2894 2695 1 1 1 1 2954 3182 3190 3346 1 1 1 1 1 1 1 1 1 1 2786 3979 1 1 2478 3704 1 1 6370 2110 1 1 3110 3096 3802 3491 6122 6121 2578 4259 3135 2965 3819 3886 3199 3972 1500 2940 1495 1616 1 1 7433 6979 2839 1353 1 1 156.0654 *156.0733* 156.0733@1.0487555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0733 *156.0769* C4 H8 N6 O 5770 5180 6821 6089 4088 3882 4229 3894 3290 4400 28343 1 3442 2650 5275 6032 4024 3948 4569 5015 4591 4677 4781 4356 6878 8708 7201 7454 4134 4662 2380 2678 3280 3430 4898 5381 7686 8717 5352 4517 1 2775 4521 3846 4110 4194 2254 2124 2497 3000 8091 7320 3296 2815 2436 2838 2389 1750 1 1 2714 2484 1 16636 2834 2823 11603 12956 4705 3905 1778 1866 2980 2671 2254 2639 3185 3506 4790 3931 3866 2755 2697 3039 4855 3343 2078 2917 7615 8724 156.0769 *156.0775* 156.0775@1.0519018 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0775 *156.0784* 156.0784@1.3418183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1694 1167 156.0784 *156.0817* 156.0817@1.1607193 1 1 1 1 1 1 1 3861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2182 1908 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 1 1 1 1 1 1 1 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 1 156.0817 *156.0866* 156.0866@1.2220566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0866 *156.0882* 156.0882@1.4971919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5457 1 1 1 1 1 1764 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0882 *156.0885* 156.0885@2.574513 1 1 1 1 1912 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0885 *156.0919* 156.0919@1.5492332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 15190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0919 *156.0925* 156.0925@1.5605109 1 1 1 1 1 1 2531 1787 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2604 1 1 1 1 1 1 1 1 1783 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 1 1 1 1 1 1 4081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0925 *156.097* 156.097@1.211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 156.097 *156.0975* 156.0975@1.5474589 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.0975 *156.1113* 156.1113@1.1807705 1 1 1184 1 3911 1 1 1 1416 1 1 1 2790 1 1 1944 1 1 2368 1 1 2099 1696 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 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 1003 1960 1 1 1 1 1 1 1 1 1 1 156.1113 *156.1119* 156.1119@1.1735225 1645 1725 1 10237 1058 2296 1183 1 1 1 1 1028 1 1576 1172 1 1 1009 1 1481 1 1 1 1766 1600 1 1705 1822 2180 2347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1631 1 1 2614 1 1 1 1 1 1 1 1 1 1 1 7532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.1119 *156.161* 156.161@4.1319633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1569 1 1 1 1 1 1 1 1 1 1 1 1 1 1199 1 156.161 *156.1617* 156.1617@4.1599526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1078 1 1 2611 1 1 1 1 1 2470 1 1221 1 1286 1 1 1641 1 1 1409 1 1 3018 2278 1 1 1311 1444 3182 1 1407 1 1826 4156 1 1 1 3805 1 1 4514 1 156.1617 *156.1619* 156.1619@4.0500655 1 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 1156 1 1 1 1 1 1 1 1 1 1 1 1499 2854 4775 1281 1695 1266 1 1566 2273 1714 1674 3839 1 1728 2246 3130 4172 2474 1346 1 1821 3507 3691 2632 2555 2082 1 1992 1841 1 6089 2645 1180 2023 2371 2698 1826 2294 2003 3029 1217 2800 2748 4902 2162 1694 2801 156.1619 *156.1621* 156.1621@4.2447157 1 1 1 1 1 1 1 1 1943 3131 1 1171 1 1 2085 1 1 1769 1 1 1347 1 1607 1 1 1820 1 1122 1 1192 1 1414 1 1 1597 1 1 1 1 1237 1 1 1 6313 2390 7812 4247 3682 3956 1 1688 6932 1 1804 1706 1 1 3053 8901 6966 6400 3330 1 1646 1364 5297 3959 4371 2453 1 1262 4489 1 2617 1497 1138 4789 1319 1724 1624 2128 2376 1 4378 1 4736 3418 1285 2789 1646 156.1621 *156.1623* 156.1623@4.360905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1793 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1 156.1623 *156.163* 156.163@2.8071053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 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 1 1 156.163 *156.1631* 156.1631@4.276984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4287 1 1 1 1 1 1 1 1 1 1 1 1 1874 1992 1 1 1 1 2093 1 1 1 1 2650 1 1 1 1 1 1 1 1 156.1631 *156.1635* 156.1635@4.0686736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1187 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 156.1635 *157.0202* 157.0202@1.1143935 1 1 1493 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.0202 *157.0742* 157.0742@2.9210591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 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 1 1 1 1 1 1 1 3818 3473 1 1 1 2714 1 1 1 1 2881 3209 1 1 1 1472 1 3621 14882 17439 2256 1880 1 1986 5500 3087 1 3174 1 1 157.0742 *157.0762* 157.0762@1.3046916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1277 1 1 1 1 1 1 1 1 1 1 157.0762 *157.0793* 157.0793@2.9050002 1 1 1 1 1 1 1 1786 1 1 1 1 1062 1 1 1 1206 1320 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 2943 1 1 1 1136 1762 1 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1434 157.0793 *157.0859* 157.0859@6.512103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3761 1 1 1 1 1 1 1 1 1 1 157.0859 *157.0859* 157.0859@2.8864913 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.0859 *157.0874* 157.0874@4.234215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7111 5414 1 1 1 1 1 1 1 1 1 1 157.0874 *157.0882* 157.0882@4.4336653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3215 2500 1 1 1 1 1 1 1 1 1 1 157.0882 *157.1065* 157.1065@1.856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 157.1065 *157.1088* 157.1088@1.2403913 1 1 1 1 1 1 4365 1457 1 1 2350 1605 1279 2435 1 1 1 1 1582 1 1133 1 1 1 1494 1 1 1 1 1 1 6735 4446 4695 2795 1 1722 3629 1 1 1 1 1 1 1 1758 1 1 1 1 2945 1 1 1 4568 2070 1 1 2355 1247 1971 1355 1 1 1 1 1406 4261 1 1 2597 1 2606 4185 1 1 1 1 8323 7341 1 1 2467 2981 1 1 8333 1 1 1 157.1088 *157.1097* 157.1097@2.0454895 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 157.1097 *157.11* Tranexamic acid 1 1 1 1 1 1 110769 118700 40840 1 2443 103710 1252 45758 5086 1372 2837 1 3694 2322 191613 190136 10924 15961 328470 326642 2043 6770 1 2044 1 2376 11837 8547 1052 35986 2119 4931 1246 1262 1340 2714 1 1 1 4592 3985 4898 1 1 284312 285519 2090 2188 15807 23414 1 1766 11856 13561 2725 37081 1 6344 1 22064 23296 22234 45631 2782 2961 1355 1234 1819 1 1325 1301 2217 20117 19545 2479 2628 1775 20298 6160 5812 12721 13150 4559 1547 C12535 157.11 *157.1101* Tranexamic acid + 6.7117825 8422 7654 17012 17654 9802 9270 16736 16578 13309 13536 12613 11519 5316 4032 2615 1861 9802 9463 35023 30672 8568 8351 3905 3557 4166 4403 12218 12313 2503 2754 26083 24049 7082 6809 5498 5173 1 2851 8090 7230 7770 7174 12978 12526 8603 7942 15677 17193 6252 5550 7527 8484 6338 6627 5093 5526 9099 9597 4992 4257 8543 8243 9674 9640 17119 16310 18680 18407 16036 15380 15009 14452 13126 13001 19114 17984 10620 10189 64237 62768 8722 8637 5147 5733 33988 34741 13331 14065 14170 15121 C12535 157.1101 *157.1102* 157.1102@1.6986293 1 1 1 1 1 1 1 1 1 1 1 1 48372 1 1 1464 1 1 27224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17066 1 1705 1 4542 1 1 1 1 1 1 1 1 1 1 1 12817 1 1 1 1 1 2499 1 26844 1 1 1 1 1 1 1 1 1 12070 1 1 1 1 1 1 1 1 1195 1830 1 1 1 1 3107 1 1 1 1 157.1102 *157.1104* Tranexamic acid + 1.6785449 1 1 2528 1690 1 1 1 1016 1841 45648 100192 1 1343 1 3781 7797 1 1 1715 25478 2859 1434 3538 1 1 1 8830 1 1243 1 1 3636 1 4216 35341 1283 7051 24913 6709 7986 18713 21010 20656 21457 1 1510 6875 6171 1 1 1 1 5315 17151 1 1 2585 4772 1 1 12770 1 9588 1955 22968 1519 1 1 1 52137 4612 14752 1 3360 1 1 1207 2245 15545 15418 7268 7903 18743 1 6443 4767 1 1 1 3896 C12535 157.1104 *157.1104* 157.1104@6.7558026 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1104 *157.1109* 157.1109@4.798793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1868 1360 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 1 1 1 1 1 1 1 1 1 1 1 1 1933 1280 1 1 1572 1 2548 2900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1505 1 157.1109 *157.1112* 157.1112@1.3734317 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1172 1089 1 1404 1 1 1 1 1 1 1 1 1 1 2562 1 2151 1 3068 1 1 1 1 2327 1 1 2279 1 1 1 1 1 1 1 1 1 1 4008 1 2798 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1112 *157.1145* 157.1145@1.5814891 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1145 *157.1149* 157.1149@1.8607755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 157.1149 *157.1149* 157.1149@0.7064242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 1 1 157.1149 *157.115* 157.115@3.6343358 1 1 1 1 1 1 1 1 1 1 1 2615 1 1 1 2479 1860 1968 1637 1621 1 1 1 1 1 1 1 1 2620 1328 1 1 1 1 1 1 1 1 2336 2058 1 1 3232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1688 3140 2704 3607 3990 1 1 1 1 2607 3338 1 1 1 1 1 1699 1994 1 1 1 1 1 1 1 1 1 1504 1 1 1 157.115 *157.1152* 157.1152@3.1367838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 157.1152 *157.1194* 157.1194@3.6198735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1194 *157.1344* 157.1344@1.1709521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1344 *157.1367* 157.1367@1.9138011 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1367 *157.1372* 157.1372@3.624044 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1372 *157.1375* 157.1375@1.4875586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1375 *157.1387* 157.1387@1.870426 1 1 1 1 1 1 1 1022 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1387 *157.1408* 157.1408@1.1534432 2857 1 2591 1 2609 2227 1 1 3564 1 1 3242 2165 1060 2592 1333 2584 1 2087 1226 1 1 1323 1 1 1 1 1 2200 1 1 1 1 1 1 1 1 1 1 1 1027 1456 1 3102 1 1 1 1 1 1 1 2381 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 3286 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1408 *157.1418* 157.1418@4.094336 1 1 1 1 1 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 1 157.1418 *157.143* 157.143@4.1060266 1 2626 2152 1941 2701 1626 2150 1 1928 1843 1688 1 1 1684 2345 2864 1 1 1646 2146 1 2292 1 1 1 2295 1862 2104 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.143 *157.1431* 157.1431@1.1349385 1 1 1 2627 1 1 2221 3728 1 2281 3000 1 1 1 1 1933 1 3021 1 1 6480 6885 2953 4494 3890 3726 1 2277 1 3083 1682 2773 2451 3530 2170 1692 2826 3306 1 3532 2670 2638 2415 1 2958 1 2423 1 3771 1 1 1 4720 5302 2853 2468 2876 4022 2858 3424 3465 2718 3716 2839 3523 2293 3600 2961 2640 1 3679 4007 3029 1725 3170 3688 4141 3843 4086 3589 4240 3884 3560 3408 5435 5314 2490 3599 3216 3108 157.1431 *157.1464* 157.1464@4.9750905 1949 1 1 1 1771 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1239 1174 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 1 1 1 1840 1 1 1 1330 1 3108 3011 4961 5271 1936 1 5676 5812 1874 2308 1495 1620 2713 2498 1 2500 2157 2757 9867 9543 1441 1819 1070 1089 2615 2651 2787 2450 2914 2649 157.1464 *157.9564* 157.9564@5.8068314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 157.9564 *157.9565* 157.9565@5.709791 1278 1 1688 1 1 1 116214 1 2249 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 1 3752 1 1 2846 1 1 2463 1 2213 2397 1517 1 1 1 1 1 1 3442 1 1 1 1233 1 1 1 1 1 2015 1 1 1 1 1 1 1 1 1 1 2869 1033 1 1742 2122 1 1 2087 1 1 1 1 1 1 1 1 1 1 157.9565 *157.9567* 157.9567@5.6797256 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 157.9567 *157.9579* 157.9579@5.720207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3266 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1387 157.9579 *157.9582* C6 H3 Cl O S 113446 115142 113388 113835 117088 115285 1 117989 122125 121935 120120 122082 121192 121360 122394 125068 116761 119807 122150 121758 125657 123531 125897 125775 119336 120434 123634 124294 116949 117520 123979 123088 129797 127662 122601 123747 121011 124722 126435 131817 130305 128469 126403 126469 127179 126723 121983 126524 128574 131721 168867 169088 149271 154199 142986 143925 133705 136295 131412 135417 169008 164982 135034 135640 153216 152915 151349 155645 131051 130620 183595 184601 134500 134096 145858 146333 175104 176781 170172 169526 181668 178663 175287 175135 179238 179499 174631 171434 155118 154323 157.9582 *157.9899* 157.9899@5.6236377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9899 *157.9944* 157.9944@5.6382008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 157.9944 *157.9975* C5 H6 N2 S2 4251 3428 4498 4292 4907 3451 4414 4895 5034 1091 4750 1 3800 4741 5626 1 5883 4720 1425 5164 4572 1 4938 5866 1 5712 5116 5069 5192 4376 5228 5453 1 5730 4835 4842 4741 5562 5771 5939 5195 6683 5469 1 4867 5660 5392 5800 4933 1 5724 5377 5454 5689 5067 6038 1 5634 6430 5908 5479 5342 6181 6371 6290 6276 3281 5224 6301 1839 5780 5797 7218 5868 3782 2041 5942 5751 6711 7156 5412 2007 5572 5608 1 1 5723 4181 7264 4682 157.9975 *157.9983* 157.9983@5.6043897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.9983 *158.02* 158.02@2.8852394 3099 2946 1580 1 3062 1928 1 1 1 2501 2126 1 1 1 1 2402 1 1 2480 1 1 1753 2165 1 2592 1 1 1 1 1 1 1 1 1 3488 1204 1 1697 1 2161 2213 2946 1 1 1 1 1 2902 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 1386 1976 1 1 1 1 1 1 1 1 2597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.02 *158.0215* 158.0215@2.6543572 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1195 1506 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 1 1 158.0215 *158.0447* 158.0447@1.4708673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0447 *158.0503* 158.0503@2.1166718 1 1 1 1 1 1 1 1 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 1106 1 1 1 1 1 1 1 1 1 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 1941 3507 1 1 1 1 158.0503 *158.0554* 158.0554@2.2433097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 158.0554 *158.0565* 158.0565@1.455 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 158.0565 *158.0575* 158.0575@2.2205436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1893 1 1851 1 1 1 1 158.0575 *158.0586* 158.0586@1.7821586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0586 *158.0625* 158.0625@4.2227535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5822 5765 1 1 1 1 1 1 1 1 1 1 1 1 158.0625 *158.0653* 158.0653@5.4887652 1393 1 1 1062 1 1 1 1 1 1 1 1390 1568 1 1187 1788 1618 1648 1 1472 1288 1595 1 1 1 1767 1803 1713 1506 1 1486 1477 1659 1428 1381 1804 1667 1237 1432 1 1587 1817 1 1605 1 1697 1 2001 1764 1237 1710 2711 2002 1 1899 1925 1233 1209 1 1 2540 2278 1866 1 2017 2440 2088 2466 1670 1856 1 2542 1537 1 2113 2019 1 2735 2294 1 2638 2702 2397 2608 1688 2714 2628 2561 2419 1681 158.0653 *158.0678* 158.0678@2.201509 1 1 2382 1 1 1 1 1 1 1694 3604 1 1 1 1 1 1 1 3203 1 1 1 1 1 1 1 1 2013 1 1 1 1 1 1 1 1015 2568 2756 1 1 1 1 1177 2552 1 1 3664 1 1 3540 2087 1 2599 1656 1493 1 1 1 3367 1 1 1 1804 2390 1 1 1 1 1 1 1 1 1 1740 1261 1 1 1535 8896 6972 1 1 1 1 1 1 1 1 2425 1 158.0678 *158.0699* 158.0699@2.185236 2343 1 1 1 1 1 1 1 1263 1 1 1 1917 2733 1 1 1 1 1 1 1 1 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 1 1 1940 1 1 2968 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 3419 1 1 1 1 1 1 1 2309 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 1 1 1 1 1 158.0699 *158.0732* 158.0732@1.7826748 1 1 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 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 5340 1 1 1 1 1 1 1 1 1 1 1 158.0732 *158.0732* 158.0732@1.2040423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 158.0732 *158.0774* 158.0774@1.8668299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2374 3244 1 1 1 1 1 1 1 1 1 1 158.0774 *158.0924* 158.0924@1.8345697 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0924 *158.0981* 158.0981@1.1870228 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 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0981 *158.0991* 158.0991@1.1740696 1693 2240 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 1024 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 1050 1 1 1 1798 1 1 1 1022 1 1 1 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0991 *158.1009* 158.1009@1.1479391 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.1009 *158.1048* 158.1048@1.2051358 1 1 1 1 1 1 1 1123 1306 2596 1 1 1 1 1 1 1 1 1232 1 1 1 1769 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 2653 1 1 2914 2136 1570 1375 1 1 1438 1446 2022 1 1655 1 1 1 1977 1 1216 1 1 1205 1 1 1546 1 1948 1600 1 2567 1 1 1 1289 1950 1 1785 1195 1 2121 1 1 1 1 1463 1 2311 1 1 1614 1 1 158.1048 *158.1103* 158.1103@1.7058926 1 1 1 1 1 1 1517 1 1462 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 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.1103 *158.1124* 158.1124@6.7191277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.1124 *158.1403* 158.1403@8.862112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 158.1403 *159.0298* 159.0298@5.468338 1 1 1 1 22533 21724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0298 *159.0719* 159.0719@1.4481186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5121 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 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 159.0719 *159.072* 159.072@1.4652842 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 1 1 3307 3142 1 1 2080 1561 1 1 159.072 *159.0827* 159.0827@1.4762808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 159.0827 *159.0877* 159.0877@1.6331819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 159.0877 *159.089* 159.089@1.9125358 1 3160 1 1 1 2771 1806 1933 1 1 2320 2424 1 1 1 1 1 1 1 1 1 1 1 1 1 11336 1 1 1 1 1 1 2126 2103 6671 1 6541 1 1 1279 1 1 3044 2857 1 1 1 1 2365 1 1 2515 11917 11025 1 1 1 37907 2601 2751 1652 1442 1 1 1 1 5673 1 1 1 3350 1 1 1 1 1 1 1 3511 9529 1 1 1 1 1 1 1 1 1 1 159.089 *159.089* Isobutyrylglycine methyl ester 8974 5568 11764 12842 6638 8138 7549 7923 2661 3173 11790 12304 6972 7384 11014 9881 7171 15566 20019 19908 7602 8460 2281 2381 24646 12145 15847 16372 4640 4823 5837 5323 6255 6000 12712 17201 7997 15168 5049 5058 38701 38118 4410 4385 8695 8597 15629 14795 7328 6745 6729 3786 19607 18274 18433 18010 81568 46564 7833 7455 6774 3333 8566 8351 21049 20131 22006 25941 11455 7657 2837 6385 49428 49772 14003 13404 6780 6580 5316 4251 15025 15178 10940 10204 78686 79188 25887 26852 6585 6923 HMDB00680 159.089 *159.089* 159.089@1.9319805 1 1 1 1 1 1 5235 6174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9686 1 1 1 1 1 1 1 1 1 1 1 159.089 *159.0892* 159.0892@3.2787457 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1 2481 5875 1 1 5465 5720 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 9319 1 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 23342 4667 1 1600 1 1 1 1 1 1 1 1 159.0892 *159.0893* 159.0893@3.3507273 1 1 1 1 1 1 1 1 1 1 1705 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9781 1 1 1 1 1 1 1 1 1 1 159.0893 *159.0894* 2-Methylbutyrylglycine 1 1 1 1 1 1 2186 1984 1 1 6837 6514 3061 2723 6740 6112 5262 5194 6771 6455 1 1 1 1 14242 14917 1893 1679 1 1 1 1 24159 23154 13828 13911 13235 10416 18130 17812 6408 6364 1 1 1 1 3365 3700 5308 5128 16780 16430 15931 14303 1 1 1 1 1 1 2660 2713 1 1 1 1 27424 26470 1 1 2061 2462 1 1 1419 1237 2949 2391 2591 2826 13838 13103 4189 4675 1821 1835 54016 53586 20896 20599 HMDB00339 159.0894 *159.0896* 159.0896@3.0609903 1 1 1 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 2358 1 1 1 1323 1 1426 1 1818 2692 1981 1044 1 1 2704 4817 2670 2972 2662 2440 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1453 1676 1 1 1 2575 1774 1 1 1 1 1 1 2545 2517 2053 1 1 1 1 1 4850 3890 2383 1 1 1 2082 2190 1492 1 3614 3554 159.0896 *159.0896* 159.0896@6.330564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28695 28240 1 1 1 1 1 1 159.0896 *159.0901* 159.0901@3.2680376 1 1 1 1 1 1 1266 1286 1 1 2387 1508 1 1 1024 1 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 1216 1 1 1 1 1 1 2668 1 1 1 1 1 5457 2396 1 1 1 9467 1 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 1 1 1 12037 1 1 1 1 1 1 1 1 1 1 159.0901 *159.094* 159.094@6.6464963 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 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.094 *159.0957* 159.0957@6.6429863 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0957 *159.0978* 159.0978@1.2167261 2871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0978 *159.0996* 159.0996@6.653468 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.0996 *159.1008* 159.1008@5.846655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1478 1 1 1 1 1 1 1 1 1 1 2080 1897 1185 1075 1 1 1 1 4785 4515 3792 4455 1941 1737 1765 1787 1 1 1 1348 1657 1663 1854 1602 2368 2414 6331 7037 2578 2663 1995 1803 1259 1252 1 1 1006 1174 159.1008 *159.103* 159.103@4.4956503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2174 1 1 1 1 1 1 1 1 1 1 159.103 *159.1042* 159.1042@6.1540384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1459 1 1 1 1 1 1 1 1 1 1 159.1042 *159.1121* 159.1121@1.6357732 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1121 *159.1194* 159.1194@1.221476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1194 *159.1216* 159.1216@1.2248241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1202 1 1 1360 1 1 1 1 1 1244 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 159.1216 *159.1251* 159.1251@6.8720455 1 1 1 1 1199 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 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 1 1 1 1 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2429 2439 1 1 159.1251 *159.1252* 8-Amino Caprylic acid + 6.1462584 1853 1751 2649 2697 1 1 3154 3065 1 1 3082 2774 1 1 1 1022 1 1023 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 2267 2279 1261 1349 1 1 1 1 1 1195 1345 1645 1 1 1 1 1 1 1601 1421 1824 1497 1345 1402 8207 8577 1 1 1 1 7194 6269 1270 1449 8288 8231 1 1 3223 3406 1 1 1 1 2991 3036 1 1 1410 1208 1891 1755 5274 5151 3127 3235 1864 1859 159.1252 *159.1258* 8-Amino Caprylic acid 40668 41021 63804 67452 116969 114943 71978 74309 64898 65284 47938 50184 41840 42642 27267 28735 71462 71880 73430 73670 59101 58221 32600 33486 38871 38165 132509 130964 19648 18856 110666 110267 64868 64327 61480 62337 45753 45773 62746 65004 36152 36024 47990 43767 87108 89806 74702 75156 19408 19186 80714 79979 46769 46271 30819 29629 55038 56883 18368 16414 58450 58316 98643 98719 72964 71997 95460 98626 73879 75872 50876 52507 76899 75699 88844 88401 39524 41240 79867 80643 43853 45131 35930 34587 89308 91625 147932 149941 71971 72504 159.1258 *159.1258* 159.1258@4.4551306 1 1 1 1 1 1 1 1325 1750 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1865 1569 2478 2477 1712 1 1 1 1 1554 1 1 1 1 1 1056 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1114 1 1056 1 1 1 159.1258 *159.172* 159.172@10.374646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.172 *159.1725* 159.1725@10.073165 1 1 1 1 1 3075 1 2917 1728 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1209 2080 1 1 1 1 1 1 1 1672 1 1 1 1 1 1932 1 1 1 1 1 1 1007 1544 1 1 1 1 1 1 1 1329 3508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 1 1 1 1 2345 1 1 1 1 1 1 2469 1 1 159.1725 *159.1727* C8 H21 N3 + 9.991353 1 1 1 1 1280 3170 1 1411 2795 1 1220 1 1294 1 1 1152 1 1 1 1831 1122 1 1 1181 1 1493 1 1841 1876 1121 1 1 2892 2105 1149 1952 1577 1 1696 1282 1 2535 2567 1331 1 1 3195 1 1 1677 1211 1 1 1 1 1 1 2139 2280 1757 3467 1 1 1 1 1750 1 2452 2041 1 1546 1 1216 1 1 2627 1 1 1061 1 1691 1 1625 1 1 1 1 3714 1 1395 159.1727 *159.173* 159.173@5.0196123 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.173 *159.1734* C8 H21 N3 1 19795 17447 14070 9672 17721 1 19196 11254 13454 20227 1 9436 21917 18662 6231 20590 3671 16986 1 21066 1 13137 20297 1 16761 17510 4934 21294 1 21895 20117 23733 1 16155 17932 21188 18836 6042 16472 18796 15501 20455 19313 21608 14206 14024 4914 1 20620 9905 1 15175 20402 20608 8400 1 20561 4263 20962 16315 1 18954 18104 14278 5750 21606 19670 18911 20768 15693 18940 17683 17312 19644 6027 1 19157 18993 1 1 19228 18772 1 20327 20819 17681 1 18451 17021 159.1734 *159.1734* 159.1734@4.96482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1738 1 1 10366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1734 *159.1735* 159.1735@10.010447 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 159.1735 *159.1737* 159.1737@4.9059114 1 1 1 4208 10632 1 1 1 8982 6960 1 1 11398 1 1 15435 1 14083 1 1 1 1 4985 1 1 1680 1961 1 1 1 1465 1 1 1 1 1 1 1 13017 1 1 3356 1 1 1 1 4396 16439 1 1 11748 1 5740 1 1 8916 1 1 1463 1 1 1 1 1 4780 15507 1 1 1 1 1 1680 1 1 1 11994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1737 *159.1737* 159.1737@10.335773 1 1 1 1 1 1552 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1383 1710 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 1778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1737 *160.0194* C6 H8 O3 S 2798 2871 1523 1734 2665 2309 2653 2767 2287 2279 3533 3748 1993 1857 1569 2019 3634 3761 2759 2578 2124 2214 2747 2345 2515 2440 2966 3059 2720 3208 2912 2817 3841 3696 3105 3422 3686 3339 3851 4096 3470 3459 2869 3176 3533 3873 3246 3460 3113 3774 3094 3259 4426 4687 4286 4406 5023 5323 2960 3314 3827 3874 5143 4953 4719 4480 5999 6603 5706 5311 5807 5928 4511 4829 3921 3567 4251 4659 4374 4273 4278 4414 4670 4299 4027 4479 4667 4200 3172 3508 160.0194 *160.0523* 160.0523@2.3883922 1 1 1 1 1 1 1 2654 1 1 1 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 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 1561 1 2824 1 1 1 1 160.0523 *160.0554* 160.0554@2.4469323 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 3155 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 1 160.0554 *160.0688* 160.0688@1.2062392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.0688 *160.0818* 160.0818@2.536777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 2228 1 1 1 1 1 1 1 1 1 1 160.0818 *160.0851* Alanine Dimer 1 1 1 1 1 1 1061 1977 1 1 1 1 1142 1036 1947 1164 1 1 1 1463 1 1 1 1 1996 1378 1 1 1 1 2480 2945 1439 1 1 1 2313 1344 2273 2479 1 2299 1 1 2481 3000 2634 1 1866 2131 1926 1 2894 2435 2034 1118 2740 2592 2501 3006 1 7056 2528 2582 5837 5609 1 4143 2698 2181 3013 2796 2765 2860 3359 3302 1827 3349 2318 1212 4478 4400 3224 3232 2298 2236 2340 2372 4537 3685 160.0851 *160.0852* 160.0852@3.7177303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4529 1 1 1 1 1 1 1 1 1 1 1 160.0852 *160.0909* 160.0909@2.0787585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 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 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 1 1 1 1 1 1 1 1 1 1 1 160.0909 *160.1565* 160.1565@8.916087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 2064 1 1 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 160.1565 *160.1571* C8 H20 N2 O 1988 1 2330 1 1971 1992 1 1 1 1 1083 1678 1 1 1 1 1988 1184 1 2088 2524 1 2223 1 1 1866 2157 1519 1 1 1870 1 2317 1 1 1 2453 1669 1 2204 1 1 2110 1951 3345 2595 2396 1377 2520 2425 3024 3333 3499 3124 1392 1997 2944 2788 3031 2866 1 1 1 1 1 2397 2746 2287 1 1 1 2216 2015 1 1053 2727 1070 1 3701 4321 2193 1 1 1 2111 1 2387 1 1 1 160.1571 *161.0442* 161.0442@6.02355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2005 1 1 1 161.0442 *161.0564* 161.0564@1.664056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0564 *161.0599* 161.0599@1.5095681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8581 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0599 *161.0678* 161.0678@3.3800774 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.0678 *161.0687* 161.0687@2.635781 6555 18528 7323 1 1 5365 1 13306 1 9054 14699 1 17522 1 1 6098 1 1 1 5446 1 6405 10081 1 1 1 17173 10813 1 17022 1 1 1 4545 12813 1 1 5633 1 7411 6278 18538 1 4110 6954 1 1 1 16552 8089 1 1 1 1 8437 3279 4275 1 1 17495 1 3984 16789 1 4864 11358 1 1 1 1 5809 1 5111 1 1 1 1 12154 16667 2591 1 1 1 9100 1 1 1 4212 1 1 161.0687 *161.0688* 161.0688@2.8237798 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 1 1 1 1 6793 1 1 1 1 1 1 1 2433 1 1 1 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 1 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 1389 1 1 3169 1 1 1 4595 1 1819 1 1 5379 1 1 1 1 1 1 161.0688 *161.0688* 161.0688@3.4184883 1 1 1 1 1 1 4399 1398 1 1 1 1 1 1 6977 1580 1 1 1 1 5564 1 1 1 1 1 1 4172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1704 1026 1 1 5021 4834 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 1793 1 1 1 1 1 1 1 1 1 161.0688 *161.0689* 161.0689@3.4753823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2528 3388 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7670 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 161.0689 *161.0691* 161.0691@2.695918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5503 1 1 1 1 1 1096 1 3026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6318 1 1 161.0691 *161.0695* 161.0695@2.9044046 12056 1 8149 1 1 8175 1 6901 1 1 1 1 1 1 1 1 1 1 1 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6517 1 1 1 1 1 1 8822 1 1 1 1 1 1 1 1 1 1 1 1 1857 1 1 1161 2943 1 1 4755 2058 3410 3453 1 1944 4442 3808 9170 1 2360 1 1808 4241 1798 1398 4317 4364 1535 3018 3033 3545 1523 7953 2639 2095 161.0695 *161.0707* 161.0707@2.4339578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 161.0707 *161.0846* 161.0846@1.2119879 1 1 1 1 1 1 1820 2283 1 2931 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 3255 1 1 1 1617 1486 1 1 1220 1 1 1 1513 1584 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 3362 1 1 1 1 1077 1 337952 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 161.0846 *161.085* 161.085@1.2062937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767096 1091948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.085 *161.0877* 161.0877@1.8242784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4451 4425 1 1 1 1 1 1 161.0877 *161.0956* 161.0956@1.2033637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 161.0956 *161.1047* 161.1047@7.768922 1 1 1 1 1143 2132 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1526 1 1 1 1 1 1 2267 1 3341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 1462 1 1 1997 1 1 1 1 1 1 1 1 1 1 1 2851 2377 1 1 1 4183 1 1 1 1 161.1047 *161.1051* 161.1051@6.599124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 3282 1 1 1 1 1 1 1 1 1 1 161.1051 *161.1052* C7 H15 N O3 113799 112325 126160 128905 134295 133060 197710 195103 134981 134081 200901 205920 143244 146063 151419 153399 175317 172924 250610 248469 97232 100651 103392 108156 119777 119756 227283 231230 93504 96283 242460 240615 186899 183405 72539 70291 140886 144746 131611 128195 143268 143893 163255 167180 147985 148306 175729 174731 121169 119779 168653 165576 206885 208994 128009 129565 111319 113183 75429 78871 282846 287347 159591 159221 255619 249785 198417 191979 189184 190709 346499 349679 172646 173251 167654 164571 300658 305997 434667 430870 258608 253531 287761 288057 214547 206718 545329 551325 147889 139749 161.1052 *161.1053* 161.1053@2.1736348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1611 2371 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 2408 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 1539 1 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 13100 13487 1 1 1 1 1 1 161.1053 *161.107* 161.107@4.70511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1 161.107 *161.1081* 161.1081@4.763703 1129 1858 1959 1 2596 2040 1 2306 1817 2181 1 2320 1 1 1 1 1 1 2050 1 2388 2816 1 1 1262 1667 1911 1 1362 2002 1 1 2012 1 1 1823 2521 1819 1483 1 1780 2249 1488 1993 2155 1901 1415 1386 1 1 1840 3231 1 3325 2557 2904 1 1 1 2440 5586 6170 3911 1626 3761 5289 1 1 4988 6394 3622 1926 5598 4186 4290 5174 3407 1 1 4470 4998 3493 5300 1 4512 3403 4589 1 4295 1 161.1081 *161.1092* 161.1092@5.2475395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 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 1037 1 1 1 1 1 1 1 1 1 1265 1 3787 1 1 1 2014 1 1 1 1 1 1 1 1 161.1092 *161.1108* 161.1108@4.628979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 2814 1 1 1 1757 1 1 1 1 1 2095 1 1748 1 1 3651 2108 1249 1421 1 1 1758 1746 3592 1 1 1 2194 1 1 1 2289 1 1 1 1 1 1 1 1 1104 1 161.1108 *161.1111* 161.1111@4.970622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1582 1 161.1111 *161.1284* 161.1284@4.6454396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.1284 *161.1912* 161.1912@1.2077649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 161.1912 *162.0513* 162.0513@2.0768964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 3070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0513 *162.0524* 2-Hydroxyadipic acid 2956 2101 4018 5453 1 1835 3518 2366 2643 3762 3131 4128 3278 3723 1317 1214 2243 2473 5612 7290 2477 1 1116 1120 1 3487 3350 3028 1 1453 6137 8882 1094 1 3091 2625 2257 1780 3570 3072 1850 2315 1355 1809 2032 1218 4882 3040 1 1131 2086 1060 3199 1996 1445 1428 3414 4060 1 2778 4236 6049 4328 4964 4093 2389 9851 6132 5809 6544 4416 8040 3062 10044 2430 2415 5136 5066 19032 19562 5084 5159 3659 4486 3686 6070 4045 5152 5459 4070 HMDB00321 C02360 162.0524 *162.0526* 162.0526@2.815374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0526 *162.0528* 162.0528@2.2918108 1 1 1 1 1 1 1 1 1 1 1 90632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145085 125156 1 1 1 1 1 1 1 1 1028 1 78589 86978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0528 *162.0529* 2-Hydroxyadipic acid + 2.4058414 467936 476025 507846 498318 674074 632411 707399 694857 568978 588074 390459 382253 330210 392511 278223 332580 507589 567584 258595 192239 630907 654750 425741 438536 754042 687314 495705 489015 393110 398347 618501 508465 160595 252752 611373 599786 447956 474793 366934 359567 531122 516916 536045 542848 317720 320528 677122 723610 368182 372950 423343 550780 407595 339962 479813 459627 445442 434628 440440 437589 677422 678955 384635 343170 701264 667941 475190 530052 350891 495323 694085 723852 786677 775977 612776 619705 682717 716365 920908 902587 494493 562588 636523 631156 563964 542546 615879 677320 706240 649589 HMDB00321 C02360 162.0529 *162.0529* 162.0529@2.7807646 1 49877 1 1 1 1 1 1 1 216255 241247 1 222447 53864 26650 232804 137244 1 256663 58013 1 1 56607 165015 1 41636 1 1 1 1 1 55598 214354 211090 1 1 68053 38913 229396 35525 1 1 1 1 283484 94823 15884 1 228884 177490 1 1 49672 223789 1 1 260581 254123 255271 202091 1 1 37326 212788 1 1 1 1 225328 1 1 1 1 1 1 272996 1 1 1 1 1 105155 1 1 1 1 1 1 1 1 162.0529 *162.053* 162.053@2.6447349 1 1 1 1 66039 1 1 1 1 1 43766 1 1 1 101748 46711 1 1 102997 259204 1 1 1 1 1 154462 1 1 86802 63834 1 1 98462 86287 1 1 116798 1 61118 1 1 1 1 1 398069 150612 82956 1 1 51534 1 1 1 1 1 1 1 1 67880 1 1 1 60581 27042 1 337863 1 1 45097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.053 *162.0568* 162.0568@1.7705551 1 1 1 1 1 1 1 1 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 1462 1 1299 1 3819 3998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1306 1 1 1581 1 1 3268 3408 1 1 162.0568 *162.0568* 162.0568@1.4300809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0568 *162.0597* 162.0597@2.4501731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0597 *162.0625* 162.0625@1.5966378 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0625 *162.0681* ISOSAFROLE + 1.0990015 11558 10743 11672 11186 10468 9417 12437 12185 10327 10353 10321 10249 14338 14547 11144 11018 10604 9527 10450 10583 10483 10198 10423 9352 10733 10526 10440 11029 9486 9999 8462 8238 9632 10399 10616 10408 9653 9248 8398 8324 6917 7295 9193 10120 9712 9274 8240 7608 7533 7203 9510 9481 9729 10395 9223 8541 9779 9660 8559 8131 7750 6696 6650 6265 8342 8379 7972 7484 7385 6752 5822 6647 8804 8790 8714 8925 7268 6915 9195 10431 8031 8154 7163 6887 9109 8219 8393 8094 7908 7384 162.0681 *162.0682* ISOSAFROLE 5314 3661 12243 11730 4355 4396 4271 4931 5426 5788 5419 5724 7115 6508 5372 5228 11702 13589 8524 7381 4844 4379 4485 4598 2874 3654 3453 3368 4156 3661 3180 2995 2967 2920 3086 3667 1 2634 3957 3585 1 4584 4572 4295 1 1 16207 17087 3792 3664 5171 5692 6641 1 4293 5189 4612 4483 2751 2430 33728 32395 1 2033 4581 4701 2599 2450 3092 3288 1412 1 2254 2883 1827 1993 2063 2140 5061 5776 1624 1490 5937 5496 1418 1765 2943 2505 2419 2688 162.0682 *162.0776* 162.0776@1.6086115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0776 *162.078* 162.078@2.1318283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24262 25896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.078 *162.0782* 162.0782@3.021085 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0782 *162.0786* 162.0786@1.5178033 1 1 1 1 1 1 1 1 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 4770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0786 *162.1078* 162.1078@7.5841503 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1078 *162.1155* 162.1155@5.413187 1 1 1 1 1 1 1 1 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 3079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1155 *162.1158* 162.1158@5.173067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1158 *162.1252* C8 H18 O3 10663 11152 10462 9580 8640 9372 11145 11763 11460 12851 10496 12630 11301 11371 14212 13999 7709 7402 10827 11045 13437 13799 16441 16233 57830 55386 10440 9791 12497 12698 5797 7780 9415 8956 6774 6465 5856 4859 9670 10465 8605 8656 8027 8914 5977 5755 5087 5530 7238 9298 14626 17549 17289 17709 11288 10967 8308 9257 15142 16197 8362 8992 12149 14987 14510 13345 11879 12492 6107 6318 14091 13976 12234 10491 14998 14553 13724 20007 18583 17436 8230 11112 12825 13665 14676 14119 12952 13474 5843 6014 162.1252 *162.1253* 162.1253@1.0615277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10893 9340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.1253 *162.1255* 162.1255@1.1222023 1 1 6557 4941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23523 27800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5881 5974 6711 1 1 1 1 1 1 1 1 1 1 6409 3434 1 1 1 1 1 1 1 1 4285 1 1 1 1 1 1 1 1 1 162.1255 *162.1342* C3 H14 N8 1 1 1 1 3773 3340 2152 1765 1586 1717 1249 1 1508 1 1278 1225 1 1819 1564 1 1 1 1776 1500 1 1 3687 1 1296 1 1739 1465 1364 1 1 1 2908 1907 1737 1341 1409 1273 2016 1447 2568 5243 1 1 1 1297 1172 1134 1285 1034 1623 1 1 1 1 1 1 1 1 1 1 1 1 1296 1245 1 1 1 1 1 1 1 1220 1 2677 1968 1 1 1 1 1 1 1148 1 1135 1 162.1342 *162.1379* 162.1379@1.1056858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1318 1 1 1 1315 1 1 162.1379 *162.1402* 162.1402@4.2670684 10719 1246 16855 16037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13295 13454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 *162.1605* 162.1605@2.4095187 1957 1791 5210 6349 1724 2491 1 3338 1 2483 1245 1368 1 1 1642 2067 1 1063 1 1 5638 5513 1458 1 3746 10050 1508 1835 1 2067 1 2238 1 1 2375 3055 3847 1529 3448 1 1283 1311 1 3897 1 1667 2217 3854 1 1 3237 1814 1 1494 1 1 1761 1 2300 1197 1 4867 1 2230 1 3066 1170 3835 1016 1 1576 3961 9501 11688 5067 1915 1916 7102 6903 15853 1 2723 8511 10377 4831 4016 6209 1 7463 6449 162.1605 *162.1609* 162.1609@2.4628284 1397 1 1 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 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 1 162.1609 *162.1611* 162.1611@2.3802176 1764 1 1 1125 1 1 1 1 1 5071 1187 1 1 1 1 1 1 1 1 1 1 2750 1 1 1971 1 1346 1165 1 2521 1 1 1 1 1570 1007 1 1 1 1 1 1 1 4161 1 1 1 2952 1 1 2428 1 1 1 1 1 2543 1 1 1 1 1115 1 1 1 1 1 1 1785 1 2337 2853 1 1283 1 1 2993 3265 1190 1 1 2204 1 1051 1 1095 1665 1 1 1 162.1611 *162.1982* 162.1982@2.3646786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 162.1982 *162.2018* 162.2018@2.4285488 1 1 1 1 1 1 1 2607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3752 1 1 1 1 1 1 1 1 2080 1 162.2018 *163.0123* 163.0123@1.3035161 1 1 1 1 4568 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 1 1 1 1 1 163.0123 *163.0562* 163.0562@2.3554523 1 1 1 1 1 26689 1 21150 1 8786 1 1 1 1 1 19395 29084 1 1 2268 18676 8302 4911 1 1 26555 1 1 1 5361 13179 1 1016 13262 1 1 11357 1 1 4824 1 1 1 1 5046 3888 1 1 3361 1 32634 1 1 1 8459 7253 1 5072 1 1 1 25490 1 1 1 1 1 1 26540 1 6560 1 18113 40857 8359 1 1 1 6321 11660 1 1 1 6397 2966 1 6069 1 1 7318 163.0562 *163.0563* 163.0563@2.5485773 5628 1 1 1 1220 9237 1 1 1 15012 1 1 1 1 1 1 1 1 1 1 18805 1 1 1 1 12715 1 1 3843 5315 20021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2851 2887 1 15048 1 1 1 1 1 7865 4607 1 1 2615 2473 1 1 1 1 1 5687 4430 1 1 1 1 1 1 17741 18820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0563 *163.0563* 163.0563@2.3504083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6371 1 1 1 1 1 1 1 1 5715 1 1 1 1 1 11067 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18969 1 1 1 163.0563 *163.0566* 163.0566@2.7207854 1 1 1 1 1 1 1 1 1 4796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1 1 1 1 7427 1 1 1 1 1 12652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4363 1 1 1 1 1 4331 2376 1 1 1 1 1 5972 5063 1 1 1 1 1 1 1 1 1 1 6091 1 1 1 2740 1 1 1 1 1 1 1 1 163.0566 *163.0571* C4 H9 N3 O4 2661 1 1 8792 3513 1 1 3031 2045 3127 1 1 1 1 1 1 3439 4245 1 20689 1 1 3034 4744 4082 4294 5667 1 3303 1 3288 1 1 1 1 1 1897 3030 11626 1 1 1 5644 1 9532 1 3004 4146 1 2527 2172 1 3780 1 5844 4977 1 1 2350 1714 1 1 3354 1 1 4521 3474 4512 1 1 4835 1 2850 5519 4630 2613 2070 2034 1 3045 6790 2353 1117 1 6587 16136 1831 1 5050 4175 163.0571 *163.0618* 163.0618@2.8407085 1 1 4223 3061 1 1 3065 4439 1 1 1 1 1 1 1 1 4777 6858 1 1 1 5443 3594 1702 1 3178 1 4780 1 1 1 1 1596 2307 1 1 1 1 1 1 1 1730 1 1 3141 3331 1 1 2739 7003 1 1 1 1 1 1 4866 1 1 1 1 1 1784 1 1 3136 1 3242 1 1 1 1 1 1 6370 10530 1 1 1 1 1 1 1 1 1 1 1 1 4993 2342 163.0618 *163.0645* 163.0645@1.1722798 1 1 1 1 1 1 1 1 1830 2300 3388 3383 1 1 1 1 1 1 1 1 1 1 1 1 1087 1226 1 1 1 1 1 1 1 1 2216 2338 1 1 1 1 1 1 1 1 1 1 1679 1170 1 1 1023 1236 1 1 7150 6687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 2575 1 1 163.0645 *163.0672* 163.0672@3.022676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1850 1 8145 8100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2309 2669 1 1 1 1 1 3944 1 1 1 1 1 1 1 1 1 1 1 9012 8609 1 1191 2867 2288 2337 2561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0672 *163.0677* 163.0677@2.4601662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0677 *163.0695* 163.0695@3.6253245 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0695 *163.0989* 163.0989@1.1442087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 3522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 163.0989 *163.1101* 163.1101@7.5339828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 163.1101 *163.1205* 4-hydroxy enanthoic acid 2029 1 1 1 1 1 2004 2352 2619 3018 1504 1654 2245 2111 1 1 1 1 2190 2639 1 1 2922 2786 1301 1 9403 9382 1 1098 2377 2346 1171 1300 1 1 1477 1464 3698 3407 1 1 1 1 1791 1 1596 1001 1782 1957 1 1 4054 3857 1 1750 2373 1 1 1330 1824 1936 2790 2442 1 1 8928 10215 6709 6707 1985 1488 1 1 1 1 2217 1831 2925 2881 2760 2670 1215 1 2649 2368 11528 14148 1 1 163.1205 *164.0243* 164.0243@1.1527402 7470 7438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11527 10934 1 1 1 1 1623 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 2973 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0243 *164.0423* 164.0423@1.105378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0423 *164.0425* 164.0425@6.869894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2409 2122 1 1 1 1 1 1 1 1 2010 1662 1 1 1 1 1 1 1 1 3010 3318 1 1 1 1 3936 2691 1857 1540 2893 2943 2563 2692 3141 1 2160 2169 1 1 164.0425 *164.0473* 164.0473@5.8327265 1 1 3405 3959 1 1 1 2621 1 1 4930 4946 3616 3782 1 1 4007 4212 1 3472 1 2693 1 1 1 1 1 1 1 1 3180 1 1 1 1 1 1 1 3404 3079 4786 1 1 1 1 1 1 1 1 1 5015 1 4005 3719 1 1 1 1 1 1 4698 1 1 1 1 6988 1 1 4083 1 1 5317 5741 6116 1 1 1 7750 6035 1128 6369 5765 5344 5145 1 1 9191 1854 1 1 164.0473 *164.0587* 164.0587@2.3421211 1 1 1 1 1 1617 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1738 1 1 1 1848 1 1 1 1 1 1419 1 1 1 1 2707 1 1 1 1 1819 1202 1 1 1 1 1 1 1 2811 1 1 1 1 1 1 1 2964 3876 1 2692 2200 1 1 1 1 1 1 1 2753 1807 1 1 1562 1 1 1 1 1 164.0587 *164.06* 164.06@1.6134974 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1885 1191 1 1 1 1 1 1 2013 1689 1 1 1 1 1760 2169 1 1 1 1013 1 1 1 1 1 1 1071 1 1 1 1 1493 1 1 1477 1190 1 1 1 1 1 1 1 1 1 1654 1 1 1645 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.06 *164.0623* C5 H12 N2 O2 S 1817 1577 1 1 1 7902 2083 1 4321 1796 3251 3153 2252 2285 1 2348 2463 1 1 1 1 5288 2291 1414 1 3385 1068 1 1 1 3728 4781 1 2469 3038 2451 1 1 2898 1 6452 4238 6193 4077 1 3545 5132 1 1 2327 4036 5964 1 4961 1 1 1 2242 3380 3450 4296 1 1959 1 1 6182 3182 5011 3035 4425 1745 1 1 1 1 1832 7223 4217 1 7293 2518 2135 1 1 5112 8054 4307 8580 1874 1 164.0623 *164.0651* 164.0651@2.4643004 1 1 1 3319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.0651 *164.0659* 164.0659@1.619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 164.0659 *164.068* 164.068@2.0450268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28742 28429 1 1 1 1 1 32186 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 1 164.068 *164.072* C7 H8 N4 O 9095 2699 1712 1 1 1 1 5589 2270 9344 1998 1819 5602 1 2783 2731 1991 1887 2351 2995 7053 6805 5945 1 1771 2293 9527 1 1126 1 1686 8016 1 1 1335 1 2223 7070 1507 1207 5137 1 1 1 1 7289 2630 1 1 1718 1633 1851 1 1972 1 1776 1182 1 7442 7932 11918 2929 9165 1337 1274 1740 1 1900 1927 1229 4045 3599 1 1 1433 1 1672 1 1 6471 11229 2860 1 1 8425 1498 1184 1894 1 1 164.072 *164.0822* 164.0822@2.9911127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7406 6432 1 1 1 1 1 1 1 1 1 1 164.0822 *164.0926* 164.0926@2.0994816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 164.0926 *164.094* 164.094@1.2491462 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 164.094 *164.1006* 164.1006@1.4645946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.1006 *164.1019* 164.1019@1.4947132 1 1 1 1 1 1 1 1 1 1 1 3039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2837 1 1 1 2477 1684 1 1375 1 1 1 1376 1 1 1 1 1 1 164.1019 *164.1037* Poloxalene 2300 3003 1 1 2701 1921 2303 1803 2262 2620 3505 1363 2072 2311 3770 2655 2700 2542 2758 1 2457 2447 3545 2314 2952 1 3036 2972 2071 3936 1 1730 1623 2717 1747 1652 1610 1 1377 2397 1927 1705 1 1484 2688 1894 1248 1559 1961 1 1983 1 1 2685 2428 2695 1441 2078 2363 1 2135 1 2467 1 1636 1219 1616 1 2397 3118 1 1607 1200 2393 1 2418 1887 1732 1429 1540 1 1 1 2566 1144 2551 1634 1 1 1201 164.1037 *164.1041* 164.1041@1.2629421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1877 2800 1 1 1 1 1 1 1 1 1 1 2330 3167 1 1 1 1 1 1106 1 1 1 1 1809 164.1041 *164.1059* 1-(2-Pyrimidyl)piperazine + 5.3179626 3148 1500 2452 1 1 2451 2843 4950 1229 1 3115 1 1 1050 1 1 4264 1 1 2010 1 1783 1882 1 3539 1 1 4417 1322 2154 1 1 1368 4135 1 1 3462 2101 1 1 1 1736 3682 1 1 6545 1176 1 4548 6780 5947 1 5976 3395 1 4776 1 1069 1 1301 1 1 5879 9955 13578 1768 5566 1 2763 9710 1 14212 1 5957 1 3377 1979 13854 13203 10104 9109 9429 13689 1 8091 3651 3805 6849 5194 4645 164.1059 *164.106* 1-(2-Pyrimidyl)piperazine 1874 3430 2700 3696 6242 2022 2833 1 5528 2402 1262 1280 1821 2149 1 5803 1198 2714 3299 1929 1 3612 1 3372 1364 5686 5416 1459 2013 1394 1 1 1 1 1935 1 1638 1170 2154 6015 2640 1114 1 1299 1 1562 1715 8050 2134 1098 2405 1 1890 3753 1 1 1 5976 7026 4888 14481 14866 8230 4254 3564 13545 6758 3965 8324 1886 14458 6234 13011 4720 7918 7283 11003 1 1597 3745 5591 4370 1 10778 1623 6831 8223 1 7553 6932 164.106 *164.106* 164.106@5.2889853 1 1 1 1 1 1 1390 1 1 1 1333 1 1 1 1 1 1 1 1 2992 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1430 1 1 1414 1 4332 1 1 1 1 1 1 3738 1 1 1 1 1 1 1 1 5030 4303 2207 1 1414 2737 164.106 *164.1061* 1-(2-Pyrimidyl)piperazine + 4.8126073 1814 1 1 1 3817 2185 1 1 1 1 1453 1504 1 2560 3388 4156 2779 2702 2966 1388 1 4266 1 1 2493 2807 2559 1299 1465 1 3167 2306 4197 1 2638 1 3975 2715 1 1 2578 2598 2533 1963 1 1755 3553 5245 2912 2226 2752 2087 5203 1911 8181 2955 1 1 1421 2193 1 1 1 10106 10191 4835 1 11311 19169 9643 17366 1 1 1 6371 5442 15449 1 1 1 15320 9907 1 11222 4738 10808 4630 10201 1 1 164.1061 *164.1065* 164.1065@4.9366584 1211 1 1 1 1 1293 1 1 1272 1 1 2890 1 1 1 1694 1 1 1 1 1 1 1 1 2189 1 1 1 3169 1 1481 3198 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1912 1 1 2173 1 1 1 1 1 1 1 3462 1 1019 1 1 2527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6065 1 1 1 1685 164.1065 *164.1067* 164.1067@5.8806353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.1067 *164.1459* 164.1459@1.1886866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.1459 *164.1522* 164.1522@1.1854169 1 1 1 1 1 1 1 1 1 1 1524 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1461 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.1522 *165.044* 165.044@1.2751093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5570 4699 165.044 *165.0461* 165.0461@1.3316967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1337 1 1 2193 1 1 1 1 1 1576 1 1 1 3618 3636 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1933 3434 1 1 1 1 1 1 1 1 1 1 1 1 1165 2619 1 1 7405 7860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5082 5839 165.0461 *165.0652* 1-Methylguanine 62094 62630 55806 57129 51723 54501 63381 58797 56034 54265 94102 96884 63554 71289 69364 72282 74604 70361 91648 91547 66707 66679 65532 64268 58967 58041 70749 72521 64630 66017 75303 73107 89006 89898 93342 93751 76700 75737 83059 88753 81656 83098 50451 53987 58916 53193 71999 72017 76463 78086 62468 63591 74699 76204 66501 64894 51380 53686 77800 77801 94976 93620 78873 80272 85645 87143 85846 89118 74269 74563 88250 87619 67937 65661 67161 62808 75476 71966 55854 53421 68470 80718 75057 74728 78049 75168 87552 91070 60925 63479 HMDB03282 C04152 165.0652 *165.0652* 165.0652@3.8106213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 9292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0652 *165.0731* 165.0731@3.125239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2278 2879 1 1 1 1 1 1 3613 4556 1 1 1 1 3136 1 1 1 1 3317 165.0731 *165.0771* 165.0771@3.1196702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 165.0771 *165.0783* 165.0783@6.693734 2108 2351 1 1 2206 1992 1 1 1 1 1 1 1 1 1 1 1 1131 1 1 1860 1 1 3597 1 1 1 1 1 1 3776 3687 1 1194 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1971 1 1 1 1 1 4047 3964 1 1 1 1 3759 4015 1 1 1807 2143 1 1 1 1 3701 4104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0783 *165.0791* Phenylalanine 32259 32599 34506 40088 25623 25572 34785 35587 27023 27466 46656 45443 31959 33244 35664 32894 47346 44274 33327 31954 1 32106 23692 26321 36992 35222 33583 35421 36519 34823 41082 39776 36613 35751 33673 34542 24168 21787 31241 31893 1 40275 33687 35955 26597 26955 33465 33179 32439 31244 43179 43423 47649 44245 37089 33423 38620 1 26708 26975 1 1 44976 47119 68816 1 30921 2880 46962 46169 42361 1 51813 49960 47564 48632 1 47402 36033 34702 44009 41033 1 54096 39409 39080 1 1 39843 37118 HMDB00159 C00079 165.0791 *165.0793* 165.0793@5.689232 1 1 6797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0793 *165.0795* 165.0795@1.2318338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 14223 165.0795 *165.0815* 165.0815@7.443053 1 1 1 1 1450 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 165.0815 *165.0818* 165.0818@6.5086074 1 1 1 1 1 1 1 1113 1 1 2090 2458 1 1 1 1 1938 1855 1 1 1 2068 1 1 1 1 1 1 1 1 1678 1206 1 1 1 1 1 1 1 1 1 1 1127 2289 1 1 1596 1 1 2503 1 1 1 1 1 1 1427 1 1 1492 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1679 2019 1 1 1 1 2333 2543 1 1 1 1 1 1790 1 1 165.0818 *165.0819* 165.0819@1.1680979 1 1 1 1 4399 3873 1 1 1 1 1 1 1 1 1 1 6150 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 1 1 17114 1967 165.0819 *165.0821* 165.0821@1.6629403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0821 *165.083* 165.083@5.7334576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 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 1 165.083 *165.0845* 165.0845@3.2088742 1 1 1 1 1 1 2478 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 1489 1 1 1 1 3597 1 1 1 1 1 1 1 1 1 1 1 2469 1 1 1 1 1 1 1 1 1 1433 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 1 165.0845 *165.0853* 165.0853@1.221867 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3107 1 1 1 1 2430 1 1 1 1 1 1 1 1 2216 2124 2089 1 1770 1 1 1 1 1 2195 2460 1 1 1 1 1 1 1627 1 1 1 1 1 165.0853 *165.0856* 165.0856@1.6669267 1 1 1 1 1 1 1 1 3124 1 2398 1 5116 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 2359 1 1 1 1 1 1 1 2563 2375 1 1086 1 1 1 5417 1 1 1 3094 1 1 2255 1 1 1 2372 4423 3876 3930 6706 3087 1 1 1 1780 3494 3941 1844 1 1 1 1 1 3369 1 2579 1 2725 3069 1 1 165.0856 *165.0877* 165.0877@3.1869433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0877 *165.089* 165.089@1.26773 4594 2645 1 2408 2430 1814 3120 3085 4670 3889 3847 2757 2382 2548 2789 3603 5464 1 4658 2115 3399 2842 2785 2726 3453 2680 2072 1671 2122 2171 3181 3184 2840 2061 3584 3922 2267 4267 2667 3368 3400 2861 3269 1 1781 1653 2957 2879 3260 2791 2733 3455 2033 3672 3665 3381 3193 1048 1 3945 1 1865 2088 2578 1883 2132 1935 1750 2132 2307 2002 3350 1 1483 1 2153 2067 2761 2144 3247 1589 1861 1196 1890 1 1 1723 2155 1 1677 165.089 *165.089* 165.089@1.613614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.089 *165.0891* 165.0891@1.3012369 1 2342 1 4562 1 1 2304 1899 2247 1982 2186 1 1470 1774 3058 2239 1 1 2274 2226 1 1 2109 1 3422 1 3155 3382 1 1 1 2776 1 1 2598 1 2434 1738 1 1 2246 2663 1 1 1 2500 1 3159 1 1 1 1 1798 1699 1 2395 3421 2394 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1966 1 1 1 1658 1734 1 1 2371 2180 1 1 1 1 3046 1 1 165.0891 *165.0894* 165.0894@2.137859 3310 1 1 1 1763 1 1 1 1 1311 1 1 1 1 1 1 1 1 3635 1 1 1 1 1294 1 1 1 1 1 1 1 2110 1227 1645 1 3105 1 1 1 1 3426 1 1 1 1 1 1 1 1 3932 1 1 1 1448 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0894 *165.0901* 165.0901@2.2279985 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0901 *165.0902* 165.0902@0.91611475 1 1 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1766 1219 1113 1 1354 1 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0902 *165.0903* 165.0903@1.6983222 1 1 1 1 1 1 1536 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 2537 1 1 1 1 1694 1 1 1 1 2588 1 4147 1 1767 1610 1 1 1 1 1 1216 1 1 1 1 1 1 1 1 1829 1 1 1 1070 1 1 1 1 1 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 1 165.0903 *165.0904* 165.0904@2.853356 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1410 1 1 1 1 1 1 1 1 1 1090 1 1 1118 1 1 1 1 2386 1 1 1 1 1920 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0904 *165.0909* 165.0909@0.77310765 1 1 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 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 1 1 2127 1 1 1 1 1 1157 1 1 1 1 165.0909 *165.0918* 165.0918@3.9676924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0918 *165.1143* 165.1143@4.4274864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5965 6335 1 1 1 1 1 1 1 1 1 1 1 1 165.1143 *166.0231* 166.0231@1.4734126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0231 *166.0269* Terephthalic acid 5016 4841 5808 5944 5521 5289 5839 5886 5324 5602 5085 5183 7093 7062 7188 6602 4983 4438 5046 4744 5077 5619 5609 5732 4304 4429 5944 5850 5884 5837 4914 4814 4767 4880 4874 4080 4280 3892 4111 4125 4725 4528 5224 5672 4796 4821 4569 4523 3670 3671 4071 3981 4996 4654 3302 3411 4066 3979 4443 4135 3165 3128 3074 3182 3351 2969 2816 2655 3068 3152 2121 2349 2968 3222 3029 3163 2623 3060 2847 2871 2732 2965 2681 2908 2777 2988 3063 2986 3392 3523 HMDB02428 C06337 166.0269 *166.0391* 166.0391@2.1772997 1 1 1 1 1 1563 1 1 1 1135 1 1 1 1 1 1 1 1 1 1 3310 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1 1 2056 1 1994 1 2739 3559 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 1 1 1 3151 1 1 1 1 1 1 1 1 166.0391 *166.0401* C4 H10 N2 O3 S 2088 2459 3261 1650 1 1 2794 2041 1569 1385 3338 1 1611 1 2190 2331 2824 2539 3147 1 1 3086 1996 1269 1 1504 3159 3060 1 1 4490 4445 1 2793 2668 2536 1 2700 2614 2586 1 1 2208 1 1 1 1176 1 1 3276 2873 2598 1877 2220 1 1 1 2572 1 1336 3079 3229 3136 2891 3153 2229 4936 6335 1 1 1 1 1 1774 3665 3186 3410 1815 1 2556 1 1 3460 2856 1 1 4302 3774 2580 1 166.0401 *166.0473* 166.0473@3.8695674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0473 *166.0511* C6 H6 N4 O2 1 1 1 1 1 1564 3363 1877 1 1 1 1 1297 1 3124 3519 1562 1 1 2027 1 1 1 1 1 1 1 3729 1 1 6298 4585 2369 1813 1 1 1 1584 2988 2556 4380 4334 1 1 1 1 7484 8116 1597 1 1 1 1 2303 1 1 1 1 1 1 2113 2945 1 1 1 1 1 2687 5464 3658 1 1353 1 1 1885 1 1652 2259 1 1 1 1 1 1 3841 3982 1 1 1 1 166.0511 *166.0514* 3-Aminoquinoline 3032 1 1 1 1 1 6664 7545 4378 4763 1 3066 2710 1875 5949 5755 4092 3596 9227 1 1 1 1 1 1 1 9148 8840 1 1 14516 15206 1155 1 1 1 1798 2741 6226 5459 7941 7799 1 1 1 1 15826 20121 4071 3604 1 1 6234 5479 1 1 1 1 1 1 3237 3499 1 1 1 1 5352 6338 10967 11802 2302 1426 1 1894 1475 1 4711 5530 1 1 1 2033 1 1 4576 4323 1 1 2246 1 166.0514 *166.055* 166.055@1.6509258 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 1 1 1 1759 1 1780 1 1 1 1 1 1375 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 1 1 1 1 1 1 1 1 1 1 1 1034 1 5129 2846 1 1 1 1 3659 3661 3342 1 1 1 1 1 1 1111 1 1 166.055 *166.0562* 166.0562@2.2395537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1928 1 2080 1 1 1 1 1 1 2143 2341 1 1 1 1 166.0562 *166.0613* 166.0613@2.2430108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 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 *166.0707* 166.0707@2.2591136 1 1 1 1 1 1 1 1 1 1 1 3578 1 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3085 1 1 1 1 1 1 1 1 1 1 1 1 3946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3679 1 1 1 1 166.0707 *166.0737* 166.0737@2.256365 1 1 1 1 1 1733 1 1 4484 8826 3663 1 3202 1 2675 2958 1 1 1 1 1 1 1 1 1 1 3671 2800 1 1 2710 3139 2297 1 1 1 1 1 1 3077 1 3255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1 1 5201 1 1 1 1173 1 1 5256 1545 1 1 1 3722 1 2379 1 1 2939 1 1 1 1 1 1 4510 1452 1 1 1 1 166.0737 *166.0753* 166.0753@6.0485497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1300 1 1 1 1 1 1 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1272 1 1 1091 1 1 1 1009 1 166.0753 *166.0776* 166.0776@2.8654559 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 2026 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 1 166.0776 *166.0778* 166.0778@4.286536 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0778 *166.0797* 166.0797@2.2890012 1 1 1 1 1 1 1 1 1 1 1 9454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4683 1 1 1 166.0797 *166.08* 166.08@4.117516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36636 37194 22484 22990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46152 45415 166.08 *166.08* 166.08@1.361125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5524 1 166.08 *166.0804* 166.0804@2.2915413 1 1 2499 1 1 1 4531 11775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 1 1 3537 1 1 5158 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 4463 9201 1 1 1 1 1 1 1 1 7568 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 166.0804 *166.0834* C10 H14 S 6349 6909 5095 10790 4161 4092 9950 2299 4814 1 6591 1 5688 5834 6041 7985 13017 12619 20370 18402 8640 7529 6724 11786 6678 7860 1 1 4903 5359 4774 6508 9157 8713 11484 10646 9766 4171 8399 5662 9939 6645 6710 5110 9325 7363 14592 13650 12085 6582 8496 12660 7346 6717 12396 11442 7611 7841 22175 26115 6885 3699 14547 15552 15332 10549 2200 9400 57343 54113 16752 9586 7578 8952 13099 9441 14835 14461 28897 32096 13521 15911 7902 8257 9028 9175 8725 15820 11386 13012 166.0834 *166.0836* 166.0836@1.2345793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4764 8425 1 11465 1 1 1 1 1 1 1 1 1 1 4888 4422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5639 1 166.0836 *166.0851* 166.0851@2.9881103 1 1 6996 7387 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2442 1 1 1 1 1 1 1 1 1 1 1 1395 1807 1 1 1 1 1 1 1617 6111 6063 1 1 1 1 1 1 1 1 166.0851 *166.0854* 166.0854@2.0700123 1 1 4770 7264 1 1 1 1 1 1 1 1 1 1 1 1 2274 2053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5642 1 1 1 1 1 1 1 1 1 1 1 1 3443 1 1 1 1 1 1 1 5017 8110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0854 *166.0858* C7 H10 N4 O 4271 4516 6141 6136 4160 3740 5932 5727 4637 4300 4895 4650 6862 7176 6330 5802 1 1 1 1 8240 8496 3907 3793 8425 7519 7587 8687 4963 5143 4557 4267 3395 3613 4809 4271 4478 4065 8008 8174 6027 6131 5758 5271 4597 4801 4760 3619 5563 5165 6657 6903 5131 5157 4477 5107 7563 7755 10348 10290 6064 5998 4730 5786 8023 8382 23757 25228 5522 6364 11263 9613 6002 5420 5718 5159 6160 5578 4904 5491 10696 10454 5989 6774 5060 5679 4864 4946 1 1 166.0858 *166.0867* 166.0867@4.101644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0867 *166.093* 166.093@1.2240431 1 3893 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2280 1 1 1 1 1 1 1663 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 2019 1 1468 3072 3627 1 1 5407 3858 1 1 5673 1 1 5003 1 1 1 1 1 1 1 1 1 1 1 3934 166.093 *166.0934* 166.0934@2.0558977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 166.0934 *166.0941* 166.0941@2.9101794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 166.0941 *166.0942* 166.0942@1.2172747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3381 1 3995 1 1 1 1 1 3641 1 1 1 3621 1 5179 1 1 1 1 4450 1 1 3142 1 1 1 1 1 1 1 1 1378 1 6637 1 5465 1 1 4134 1 1 1 1 1 4523 1 2259 1 1 1 1 1 4869 2929 1 2096 3336 1 1 1 1 1 1 1 1 1 4217 1 1 1 166.0942 *166.0971* 166.0971@1.1608814 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0971 *166.0975* 166.0975@1.2025651 3752 1 1 1 1 1 2395 1879 1 1 1 2492 1 4911 1 1 1 1 1 1 1271 2750 1 1 1 2700 1 1 1496 1 1 1 2429 1 1 4334 1 1 1 2001 1 1 1 1 1 1248 1 1 3581 1 1 1 1 1 5167 1117 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14771 1 1 1 1 1 1 1 1 1 1 1 166.0975 *166.0987* Octanoic Acid 2570 2190 1 1 1167 1015 3767 2613 1 1597 2442 2366 1 5037 2347 2018 1 4179 3834 1 2624 3259 3644 1119 1477 3685 1612 5288 2290 1 1 1 1584 3007 3361 1499 2284 3350 3421 1469 1 1 3745 2029 3383 1516 1657 1963 2269 3654 1 1028 1 4242 3233 2340 1439 3334 1 1147 1 1 1218 2655 1901 1222 1363 3376 3195 1 1 1 1382 1360 2953 1 2340 2651 4566 3946 1742 3319 2945 3055 2998 2939 1 1 1 1 HMDB00482 C06423 166.0987 *166.1001* 166.1001@2.9170957 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 166.1001 *166.1024* 166.1024@1.2239704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1891 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.1024 *166.1042* 166.1042@2.8988132 1 1 1 1 1 1 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 1898 1 1704 2683 1 1 1 1 1 1 1 1 1 1 1058 1 1 1357 1 1 1 1 1 1074 1 1 1 1 1064 3300 3496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.1042 *166.1074* 166.1074@1.4750264 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.1074 *166.9859* 166.9859@1.0688354 1 1 3911 3669 1 1 1 1 1 1 1173 1100 1 1 1 1 1 1 1 1 1 1 1 1 1752 1720 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.9859 *167.033* 167.033@3.1960397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1657 1 1 1 1 1 1 1 1 1 1 167.033 *167.038* 167.038@1.4845957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2054 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4379 4169 1 1 1 1 1 1 1 1 5166 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 4484 4708 1 1 167.038 *167.0479* 167.0479@1.5659549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0479 *167.0504* 167.0504@3.9707384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56522 58013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20412 20293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0504 *167.0513* 167.0513@3.7390988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4380 3001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0513 *167.0525* 167.0525@3.7663703 1 1 1 1 1 1 1 1 1 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 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 1 167.0525 *167.0542* 167.0542@1.5553445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 2052 1 1 1 167.0542 *167.0563* 167.0563@6.264194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 167.0563 *167.0565* 167.0565@1.2446113 2864 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6499 6959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0565 *167.058* 167.058@3.7944534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.058 *167.0584* 167.0584@2.020944 1 1 1 1 1 1 1368 3359 1 1 1 1 1 4548 1 4958 1301 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 3269 3512 1 1 1 1 1 5988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12098 12332 167.0584 *167.059* D-4-Hydroxyphenylglycine 8154 9494 1 1 3921 10995 2699 3563 7650 14506 3661 13874 18430 9946 9875 2498 11272 4982 13559 11816 12016 10901 6754 7190 8022 1 6676 3076 1566 8109 1 1 18295 4256 6132 6652 2168 1235 8713 5989 4223 6220 11230 10017 10526 9474 5971 2538 18534 18517 11734 11303 21183 22133 9482 9847 9508 9165 4108 5863 1036 6908 10027 9545 18951 10590 8394 10459 1 2011 8374 7579 13535 3481 12290 11895 13497 2900 11270 9815 26764 26570 12021 18331 13745 6634 3182 2973 101246 91228 167.059 *167.0604* 167.0604@1.7284958 1 1 1 1 1 1 1 1 2144 1 4512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8975 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5418 1 1 1 3607 1 1 1 1 2551 1 1 1 1 1 1 1 167.0604 *167.061* 167.061@1.6803924 1 1 1 1 3513 1 1 1 4042 1 1 1 1 4594 1 1 1 3824 1 1 1 1 2859 2967 1 1 3144 7499 4506 1 1 1 1 2269 2267 1369 2530 1939 1 4973 1 2209 1 1 1 2966 1 1 1 1 7706 4280 1 1 1 1 1 1 1 1 1 1817 1 1 1 6693 1 1 1 1 5634 7416 1 2918 1 1 1 1 1 1 1 1 10551 4425 1 1983 1 1 1 1 167.061 *167.0626* 167.0626@1.568993 1 1 1 1 2823 1 1 1 1 1 1 1 1 2217 1 1 1 1 1 1 1 1 1162 1018 1 1 1 1 1872 1 1 1 1 2164 1 1107 1 1 1612 1 1 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 1 167.0626 *167.0637* C5 H13 N O3 S 1 1 1921 1 3580 1890 2692 1 1 1 2323 3108 1833 1 1 1 1457 2807 1 2588 1583 1 1 2535 1 1 1 1461 1633 4258 1855 1828 1 1 2802 2435 2722 4072 5577 1 5541 6463 2675 4048 1 1 2567 2258 1626 1930 1280 1 1 1683 1 1 1 1 2727 5993 1 2795 4152 3351 1731 1 2445 5139 1 1 1 1 1869 2594 2293 2728 1 1 3148 2867 1 1 1 1 2133 2740 1 1250 1 1 167.0637 *167.065* 167.065@2.0517457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2415 1 1 1 1 1 1 1 1972 1 1 1 1 1 1 1 1921 1929 1 1 1 1 1 2220 1 1 2346 1 1 1 167.065 *167.0675* 167.0675@3.604402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4539 1 1 1 1 1 1 1 1 1 1 167.0675 *167.0681* 167.0681@1.7125158 1 1 1 1 1 1 5399 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 1 1 1 167.0681 *167.0731* 167.0731@2.0619164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1801 1 1 1 1 1 2775 1 1 1 1 1 1 1 1 1 1 1 1 4571 1 1 1 1 1 167.0731 *167.0893* 167.0893@1.2351457 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 1488 1352 1 1 1 1 1 1 167.0893 *167.0936* 167.0936@2.4790425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2268 2669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0936 *167.0948* 167.0948@1.2697506 1 1 1 3155 1 1 1 1 1 1 2074 1550 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 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 3118 1 1 1 1965 1 5117 1 1 1 1 1 1 3678 1 1 1 4613 1 1651 1 1 1 1 3995 1 1 1 1 1 1 1 1 1 1666 1 1607 3105 167.0948 *167.0957* 167.0957@1.2610011 1 1 1339 1 1 1 1 1 2265 2216 1 1 1 1 1 1 1 1 2319 1 1 1601 1505 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 4279 1 1 3064 1 1593 1 1 1 1 1843 1 1 3424 1476 3074 3203 1 1195 3014 1 3888 1 1 1 1 1 1 1 1 3929 1243 5270 1775 1 1 1 1 1 3607 1 4837 2797 2750 1 1 1 1 1 1 1 1 167.0957 *167.0995* 167.0995@1.6355464 1 1 1 1 1 1 5689 6715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.0995 *167.1097* 167.1097@1.6720536 1 1 1 1 1 2431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167.1097 *167.1122* 167.1122@1.6483703 1 1 1 1 1 1 1 1 5895 6958 6356 6769 5489 5966 1 1 1 1 1 5371 1 1 1 6495 1 1 10765 1 1 1 1 1 6348 1 1 3283 1 1 1 1 7486 1 1 1535 1 1 1 1 1 4027 2377 7503 8692 5082 1 1 1 1 1 1 1 1 2158 1 1 9383 8576 2837 8400 8197 6706 6614 1 1 1 1 8289 8569 7426 5308 7221 8158 5986 6296 1 1 1 1 4310 5409 167.1122 *167.1141* 167.1141@1.622866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 12661 1 1 1 1 1 1 1 1 1 1 1 167.1141 *167.1146* 167.1146@1.6651614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8570 1 1 1 1 1 1 1 1 1 1 1 167.1146 *168.0264* 168.0264@1.413659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10746 11388 1 1 1 1 1 1 1 1 1 1 168.0264 *168.0271* 168.0271@1.284697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17588 19157 1 1 1 1 1 1 1 1 1 1 168.0271 *168.0278* 168.0278@1.9455669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0278 *168.0282* 168.0282@1.912226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2454 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9436 5607 1 1 1 1 2407 3469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4667 5035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0282 *168.0373* 168.0373@3.3254473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 168.0373 *168.0389* 168.0389@1.4206476 1 1 9182 9548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0389 *168.0391* 168.0391@1.538539 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0391 *168.0394* 168.0394@1.5971816 1 1 2692 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 1 1 1 168.0394 *168.0405* 168.0405@3.3199248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 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 1 168.0405 *168.051* C3 H12 N4 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 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9649 10232 4122 4468 1 1 1 1 1 1 8306 7790 1 1 2867 3947 1 1 1 1 17671 17361 1 1 2170 2306 18593 19877 7446 7735 18019 16879 6899 6944 11821 12951 23913 23050 4410 4622 168.051 *168.0513* B-ureidoisobutyric acid 1326 1189 1 3302 1974 1891 2200 1 1 1 2142 2302 3964 1 1 1 1 1 1 1 1 1 2275 1 1637 1191 2483 1 1 1244 1 1 1831 2334 2553 2667 1 4279 1 1 1 1 3940 3128 1 1 3108 3142 1576 1501 1 1 1 1037 1905 1839 2931 1 2369 2229 1940 2124 1 1326 1 1 1819 1877 1 1 1409 1 2939 1 2585 2969 1 1743 1144 1027 1 1498 1 1 1580 1754 1 1 1 1937 168.0513 *168.0526* 168.0526@3.3420281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0526 *168.069* 168.069@2.307859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13382 13384 1 1 1 1 1 1 1 1 1 1 168.069 *168.0704* 168.0704@1.227218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2417 1 1 1 1 168.0704 *168.0708* 168.0708@2.4583044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8130 3367 1 1 1 1 1 1 1 1 1 1 168.0708 *168.0755* 168.0755@1.2239418 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0755 *168.0781* 168.0781@1.9446251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 168.0781 *168.0832* 168.0832@1.1403898 1 1 1 1 1611 1 1 1 1 1 1891 3906 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 1 1 1 1732 1900 1519 1698 1 1430 1 1539 1 1 1 1 1 1 1 1 1 1 1 1 1326 1546 1019 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3818 1025 1710 2330 1 1 1 1 1 2132 1 1 1 1 1169 1 1 1 2143 1161 1271 1385 168.0832 *168.0842* 168.0842@1.2833333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 4909 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 168.0842 *168.0846* 168.0846@2.0591874 1 1 1 1 1 3666 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 3873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8392 7093 1 1 1 1 168.0846 *168.085* 168.085@1.6594604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 168.085 *168.0875* 168.0875@1.9743268 1248 1 1 1 1 1 1 4234 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 1 1 1830 1 1619 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 2211 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 1 168.0875 *168.0883* 168.0883@1.215371 1 1 1 1 1 1790 1 1 1 1 1 1 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 1760 1 1 1 1 1 1 1 1 2400 1333 1 1 1 168.0883 *168.0889* 168.0889@1.569376 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 168.0889 *168.0896* Pyridoxamine 7509 8846 7181 8543 13550 13063 10356 11377 7704 2613 17129 15682 6624 7545 7418 8574 7678 7235 10647 8909 11831 10902 6730 8233 5793 6312 16447 17388 9391 9374 18178 16924 11867 13001 12170 12204 12981 15455 12009 13225 10384 6743 7837 9020 7889 6017 17274 15140 21834 27335 15947 15798 13594 14286 7259 5892 6660 8608 4280 4219 12195 13190 10027 9371 9257 9868 14522 22780 18799 17828 9118 9851 8327 10323 8283 9321 8989 9604 9366 9465 13883 12869 9836 8228 10295 11059 8129 10646 6244 4381 HMDB01431 C00534 168.0896 *168.09* 168.09@7.4822235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4584 4737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.09 *168.091* Pyridoxamine + 1.8529507 1470 1721 1 1 1 1 1760 2183 1 3433 1 1 1 1003 1562 2572 1 1355 1 1 1059 1 2188 2535 1 1 1612 1261 1 1 1 2737 1 1 1313 1 1 2080 2828 3363 1 2050 1356 1239 2142 1524 1 1910 2112 1 1840 1 1 1 3937 2629 1 1 1 2526 1 1 2675 1983 1 1 7326 1 1784 3929 1120 1 1 1 1331 1 2766 1 1218 1 1 1 1 1 3460 2072 1822 1 1 1 HMDB01431 C00534 168.091 *168.0937* 168.0937@1.6283009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 168.0937 *168.0944* 168.0944@2.1782627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 168.0944 *168.0953* 168.0953@1.1943945 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 3238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5103 1 1 1 1 1364 1 1 1385 1 1 168.0953 *168.0976* 168.0976@1.4604261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 168.0976 *168.0987* 168.0987@2.192648 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0987 *168.1008* 168.1008@2.1773858 1 1 1 1 1 1 1 1 1 1 1 1 7973 11090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2079 3429 1 1 1 1 1 1 1 1 2522 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 2648 1 1 1 1 1 168.1008 *168.106* 168.106@1.1930215 1 1 1 1191 1 1 1 1 1 1 1 1752 1 1559 2782 5332 1 1 1 2409 1 1 1 1 1 1 1 1 4313 4204 1 1 1 1 4344 1778 1 1 1 2441 1 3929 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 4096 1 1478 1996 1 1 1 1353 1 1 1 1 1 1 1 1 1322 1 1358 1 1 1257 1 1 1 1 1 1 1 1 1 1 1 168.106 *168.1104* 168.1104@1.2010508 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 4096 1 1841 1 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 1 1 1 1671 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 5267 1 1 1 1 1 1 1 168.1104 *168.1136* 168.1136@1.851537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1136 *168.1142* 168.1142@1.2129115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1703 1 1 1 1 1 8514 4999 1 1 3150 1746 1 1 1 1 5207 1 1 1 1 1 3940 1 13047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5443 3998 1 1 1517 6189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1142 *168.1186* 168.1186@1.4559288 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1186 *168.1213* 168.1213@1.2817278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5102 5429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1213 *168.1244* 168.1244@1.4715286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6069 1 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1244 *169.0268* C3 H8 Cl N3 O3 1 1 1217 1244 1219 1397 1147 1 1129 1829 1219 1358 1 1357 1 1414 1567 1424 1257 1546 1 1311 1712 1352 1735 1520 1719 1701 1 1 1823 1516 1393 1525 1 1 1 1 1790 1419 1952 1 1 1468 1973 1718 1 1 1060 1 2428 2441 1978 2273 1775 1769 1529 2093 1 1323 2190 1907 1931 1417 1964 2218 1920 1750 1742 1973 2375 2427 1312 1559 1811 1852 2290 2065 2336 2031 2301 2206 2040 2459 2459 2301 1766 2322 2154 1871 169.0268 *169.0512* 169.0512@2.9453022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1155 1224 1 1 1 1 169.0512 *169.0736* 169.0736@3.565308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64558 32762 169.0736 *169.0738* 169.0738@3.4626155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11483 169.0738 *169.0795* 169.0795@1.2792011 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 169.0795 *169.0843* 169.0843@3.6820762 3347 3645 1 1 1472 1 1759 1832 1 1 2195 2548 1 1 1 1 1 1 1 1 1 1 1 1 1787 1 1 1584 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 2363 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 2268 1 1 5939 5123 3322 3851 2273 1 2953 2995 1 1211 1 2788 1307 1 2382 1 1801 2407 2516 2106 1 2355 1 1 1 1 1 1 1 1 169.0843 *169.0851* 169.0851@7.4843903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0851 *169.0924* 169.0924@2.4925864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 169.0924 *169.0952* 169.0952@1.6005772 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0952 *169.0963* 169.0963@2.5138192 1 1 1 1 2197 1 1 1 2373 1 2721 3156 2854 1 2930 2486 2492 1 1 1 1 2577 1 1 1 1 2677 2416 2006 2909 1 1 1848 2867 1 1 1 1 3984 1 1 1 3867 3466 3350 1 1 1 2885 3271 1 1 1 1 3365 1 2988 1895 1 2331 1 1 1 1 3514 1 3228 1 1 1 1 1 3215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0963 *169.0963* 169.0963@2.4962406 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0963 *169.1011* 169.1011@1.2890136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1011 *169.1045* 169.1045@1.5640862 1 1 1 1 1 1 1119 1 1 1 1 2742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1426 1 1349 1 1 1 1 1 1 1 1 1 4514 1133 1 1873 1 1 1 1137 1 1 1 1 169.1045 *169.1063* 169.1063@1.2393245 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 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 2092 1441 1 1 1956 2682 1 1 1 1 1 1 1163 2560 1 1 1 1 1 1 1 1 1 1 1 1 169.1063 *169.1065* 169.1065@1.5803164 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 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 3169 1504 1 1 1 1 1 1 1 1 1 1 1 169.1065 *169.108* 169.108@7.957302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2520 1 1 1 1 1 1 1 1 1 1 169.108 *169.1082* 169.1082@2.1747916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1082 *169.1084* 169.1084@2.0677502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12159 13965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8709 18071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1084 *169.1091* 169.1091@1.2193698 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 6513 1 1 169.1091 *169.1097* ACECLIDINE 14283 4920 8965 8775 5037 6164 10172 5917 10242 8874 11164 11920 10557 10310 19974 19008 5964 5793 29762 34898 9319 7960 8426 6733 4468 5336 18430 17511 13507 14964 8024 6102 130906 125013 3196 3978 22590 23382 16400 18029 9691 8881 4379 6817 20523 21828 4827 4604 5984 6224 5100 5114 6546 7125 7767 8870 8901 5671 21057 21827 9495 7221 6031 6238 8857 9283 79517 74164 13292 9026 6556 8043 9328 11176 7962 8730 4144 6199 12304 12564 4407 3710 7051 7183 7831 6145 19824 23076 4873 7653 D02750 169.1097 *169.1097* 169.1097@1.4981856 1 1 1 1 1 1 1 1597 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 2414 1 1 1 1 1 1 1 3838 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1659 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1080 1 1 1 1 1 1417 1 1 1 1 1 1 1 3591 1 169.1097 *169.1111* 169.1111@1.2136325 1199 1 1 1 1286 1 1 1937 1 2421 1043 1 1 1 1 1688 1 1 1 1 1 1 3396 1 1604 1234 1 1 1 1 1 1 3611 2328 1 1 1 1 1 1 1 1 3295 3175 1 1 3323 1 1 1 1856 1359 1 1 1 1 1 1944 2647 1 1 1 1 1 1 1 2436 2865 1 1 6217 6427 1 1 1 1772 1 1 1 1231 1 1 1 1 3021 1 2535 1 1 1 169.1111 *169.1131* 169.1131@1.1698292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1117 1 1 1 2459 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1131 *169.1228* 169.1228@1.2086532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 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 1 169.1228 *169.1374* 169.1374@1.2116005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1374 *169.1452* 169.1452@1.1020323 1154 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1592 1249 1 1088 1 1 1 1068 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1076 169.1452 *169.9624* 169.9624@2.3474014 1 4985 1 1 5744 5757 1 1 1 1 1 1 1 1 1 5660 1 1 1 1 5860 1 1 1 1 1 5644 1 1 4499 1 1 1 1 1 1 1 1 1 1 1 1 1 7085 1 1 1 6733 1 1 1 1 1 1 1 1 1 4348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8941 1 1 1 1 1 5947 1 1 1 169.9624 *170.0386* 170.0386@2.428384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 170.0386 *170.0407* 170.0407@2.8022609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0407 *170.043* 170.043@2.3641186 1 1 1 1 1 1916 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1336 2009 1 1 1 1 2037 1 170.043 *170.0453* 170.0453@2.3762624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1880 1 1 1 1 1 1 2484 1084 1 170.0453 *170.053* 170.053@1.4920132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 170.053 *170.0559* 170.0559@3.1455522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 2088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0559 *170.0572* 170.0572@1.677082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7373 6494 1 1 1 1 1 1 1 1 1 1 170.0572 *170.0575* 170.0575@2.4106455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 170.0575 *170.0581* 170.0581@1.5675161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2735 1 1 1 1 1 1 1 1 1 1 170.0581 *170.0582* 170.0582@3.974491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0582 *170.0621* 170.0621@1.1690204 1 1 1 1 1847 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0621 *170.0666* 170.0666@2.468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 170.0666 *170.0694* 170.0694@3.976819 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0694 *170.0775* 170.0775@3.5947273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 1 170.0775 *170.078* 170.078@3.467962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 170.078 *170.0817* 170.0817@2.1246393 1 1 1 1 1 1 1 1 1 1 9253 7652 1409 2713 1 1 3955 1 1 23126 1743 1 1699 1379 2327 1609 1 17104 1 1 1 1 3100 3352 1 3430 3268 1 1 14952 9475 8183 1 1 1 1 1 1 1 1 1 1 1 5497 1 1 1 2449 1 1 4510 1 1 1 1 1319 8918 1 1 1 2002 2181 2665 1 3419 3782 1 1 1 1 2739 1254 1 1 2944 1 2232 6975 9597 1 170.0817 *170.0818* 170.0818@2.2172763 1 1 1 1 1 1 1 1 1 1 1 3953 2614 1 1 1 10723 1 1 1 1 1 1 1 1 2977 1 11971 1 1 1 1 2912 1 1939 1165 1 1 1 1 1 2615 1 1 1 1 1 1 1 1 1 1 1 3941 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 1073 1 1129 1 1 1 2654 1 1 1 1 1390 1 1 1 170.0818 *170.0834* 170.0834@2.165382 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1130 1402 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 170.0834 *170.0896* 170.0896@2.998221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 170.0896 *170.0914* 170.0914@2.252905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2291 2903 1 1 1 1 1 1 1 1 1 1 170.0914 *170.0938* 170.0938@5.626094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 170.0938 *170.0962* 170.0962@1.1337417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.0962 *170.0972* 170.0972@5.6446667 1371 1 1583 1530 1 1299 1 1462 2452 2441 1566 1492 1019 1 1694 1 1457 1 1 1 1 1187 1285 1 1 1 1 1434 1201 1 1990 1281 1 1267 1 1364 1 1434 1 1692 1595 1490 1 1471 1306 1 1 1383 1199 1 1628 1 1 1 1 2264 1495 1 1 1 2026 1732 1825 1481 1811 1961 1 1911 1 1 2333 2294 1300 1674 1733 1402 1817 1721 1789 1799 1872 1839 1861 1552 2016 2122 2036 1669 1654 1742 170.0972 *170.1018* 170.1018@5.674901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1018 *170.1036* 170.1036@1.1170468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1036 *170.1072* 170.1072@1.5116088 1 1 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 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1072 *170.1095* 170.1095@1.1247575 1 1 1 1 1 1 1 1 1 1 1553 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1095 *170.1139* 170.1139@1.1271486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1139 *170.1294* 170.1294@1.0487052 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1294 *170.1387* 170.1387@1.2779008 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1387 *170.1404* 170.1404@2.8915493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7605 5690 1 1 1 1331 1 1 1 1 1 1 3755 4721 1 1 2466 2741 1 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 1 170.1404 *170.1412* 170.1412@2.957624 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 170.1412 *170.1414* C9 H18 N2 O 22177 21087 37712 37338 21061 21578 23689 24355 15243 15273 26586 22097 16256 15677 20323 24086 15420 17138 21118 20836 29130 28629 24905 25378 85821 83090 20999 19640 24937 26087 24133 23637 16260 16235 15268 14505 35950 35281 17585 18770 16466 18344 21951 20345 18636 17569 24914 24962 17000 16053 17479 18647 20021 19588 17093 16602 17056 17506 31171 30156 11870 11421 27717 21040 19320 19685 15436 15342 15766 19911 30930 30897 13189 12914 15503 14950 13200 12749 27159 25495 10358 10661 16832 15260 13714 13329 15849 15840 10300 8527 170.1414 *170.1418* C9 H18 N2 O + 4.5523767 1881 1706 5876 5723 7817 8400 5780 5822 2282 2009 1 1 6969 6897 1 1 7404 7618 3212 2972 1 1 1 1 2741 2774 1 1 1 1 1648 1852 1 1 8332 7552 9814 10347 2347 2657 4181 4678 4386 4928 3607 3716 7885 7854 4222 4868 9476 8495 7163 7139 8132 7694 1 1 6905 6616 1860 1868 29161 29631 3429 3438 1 1 1 1 3011 3021 8816 9608 4393 4992 5804 6041 20756 21720 1 1 2389 2117 6658 7442 5966 7180 8659 8828 170.1418 *171.0339* 171.0339@5.8386703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2962 1 1 171.0339 *171.0352* 171.0352@3.307576 1 1 1 1 1 1 1 1 1 1 1 1582 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 2088 1 1425 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 2139 1 1 1 1 1 1 1 1 1 1 1 1 1 1719 1 1 171.0352 *171.0543* 171.0543@2.498645 1 1 1 1 1 1 1 1 1734 1 1353 1 2067 1750 1 1 1 1 2016 1 1 1 1948 1277 1 1 1349 1048 1698 1632 1912 1796 1509 1633 1 1 1969 2279 1955 1896 1 1392 1 1 1 2014 1 1362 1 1 1 1 1272 1 1 1 1 1 1806 1773 1 1 1 1306 1 1 1 1 1 1 1681 2101 1 1 1 1 1 1 1 1 1 1978 1 1451 1457 1 1 1 1567 1734 171.0543 *171.0596* 171.0596@2.5039098 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0596 *171.0665* 171.0665@1.2274661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9745 9703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0665 *171.0671* 171.0671@5.5618706 2133 2367 2052 1805 1791 1964 1825 1908 1847 1947 2082 1959 2240 2038 1622 1866 2182 1749 1887 1987 1385 1692 1440 1418 2031 1715 1936 2184 2158 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 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0671 *171.0718* 171.0718@5.568331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 171.0718 *171.0767* 171.0767@2.528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 171.0767 *171.0907* 171.0907@2.357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 171.0907 *171.091* 171.091@2.301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 171.091 *171.0931* 171.0931@1.3615327 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1762 1 1 1 171.0931 *171.0946* 171.0946@5.9536357 1 1 1 1 1444 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 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1839 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 2613 1 1 1 1 1 1 1 1 1 1 171.0946 *171.0952* 171.0952@2.9644616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2971 3750 1897 1 1 1 1 1 1 1 1 1 171.0952 *171.0975* 171.0975@1.3896407 1 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 2825 1 1 1 1 1 5938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.0975 *171.0977* 171.0977@5.831456 2189 1353 1860 2318 1 1564 1485 1221 1 1 1 1 2107 1 1 1 1 2053 1496 1 1125 1136 2301 1 1 1083 1 1 1292 1 1614 2213 1 1 1460 1498 2168 3257 1 1 1 1740 1 1 1627 1 1 1404 1 3299 3132 1 1 2203 2215 1772 1 2318 1 1 7176 2265 1547 1684 1 1 2244 1 2669 1063 1 2269 1 1 1 1129 1 1 3203 1754 1 1 1452 1122 1 1 1 1 1 1748 171.0977 *171.0984* 171.0984@5.780645 1 1 1672 1 2476 1 1 3423 1 1 1 1 1 1 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1488 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 5959 1 1 1 1 1 1 1 3670 1 1 1 1 1 1 1 1 1457 9801 1 4716 1 1 1 1 1 1 1 2784 171.0984 *171.1018* 171.1018@4.005777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2268 1 1 1 1 1 1 1 1 1 1 171.1018 *171.1025* 171.1025@1.4186807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 171.1025 *171.1036* 171.1036@4.1572356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2735 1 1 1 1 1 1 1 1 1 1 171.1036 *171.1042* 171.1042@4.025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2686 1 1 1 1 1 1 1 1 1 1 171.1042 *171.1071* 171.1071@2.8284671 1 1 1213 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1723 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1071 *171.1078* 171.1078@1.4164066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1078 *171.1094* 171.1094@1.0332077 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1094 *171.1098* 171.1098@6.1310353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1493 1 1 1 1 1 1 1 1 1 1 171.1098 *171.1121* 171.1121@5.2955236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14402 16303 1 1 1 1 1 1 1 1 1 1 171.1121 *171.113* 171.113@4.061526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 2059 1 1 1 1 1 1273 1865 1972 2167 1 1 1 1476 1655 1 1 1 2668 1 1 1 2185 1 1 1 1 1 1 2481 1 1705 2586 3112 2396 2261 1 1051 1 1176 1 2960 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.113 *171.1172* 171.1172@1.920251 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 1 1 1 1 1 1 1 1 1 171.1172 *171.1179* 171.1179@1.4128481 1 1 1 1 1 1 1795 1 1 2592 1 1 1 1 1 1 1 1 3399 1 1451 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1143 1 1 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 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 1 1 1 1 1 1 171.1179 *171.124* 171.124@3.1991487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.124 *171.1243* 171.1243@7.0497575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1368 1 1 1069 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 3097 2768 1 1 171.1243 *171.1247* 171.1247@1.4157369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3551 1 1 1 1 1 1 1 1 2879 4306 1 1 1 1 1 1 1 1 1 2092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2809 3293 1 1 2270 2871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1247 *171.125* 171.125@1.5697103 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 3072 5930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2888 1 1 171.125 *171.1326* 171.1326@1.210109 1 1 1 1 1 1 1 1 4548 4608 1 6085 3262 3476 4130 1 1 1 7652 7781 1 1 1 1 1 1 6251 6249 1 1 1 1 1 1 5352 4392 9213 8485 6685 7733 5877 5171 6540 6991 17550 16510 6163 5965 9257 8614 3888 4438 3961 4756 9629 8032 5443 4378 1 1 3725 1416 1 5224 4411 4641 10603 11678 3624 1 1 1 4475 5822 5008 5294 4510 4809 7769 10083 3500 3997 6305 5760 5190 4640 9171 7908 2265 1912 171.1326 *171.135* 171.135@6.2970595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3187 1 1 1 1 1 1 1 1 1 1 171.135 *171.1355* 171.1355@1.2043098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 171.1355 *171.161* C10 H21 N O 2786 2478 1732 1845 1929 2428 2969 3282 3483 3713 2763 2514 2900 2408 2710 2292 1992 2174 2380 2036 4525 4576 7376 8071 5567 4476 3555 4086 4777 5036 2753 2674 3405 3781 1882 1914 1528 2098 3919 3918 3853 4239 2537 2724 1947 2145 1135 1452 2597 2892 5741 5899 10086 10225 4697 4713 4604 4434 3192 3415 3559 4154 2381 2815 2843 3121 3445 3462 1832 2126 2641 2657 2403 2526 3532 2913 3354 4088 3948 5340 4602 5075 5470 4623 4962 4911 4543 4539 3380 3078 171.161 *171.2103* 171.2103@5.64256 1 1 1402 1 1 1543 1 1259 1842 1 1094 1 1296 1303 1 1 1 1344 1433 1 1 1563 1 1 1 1294 1028 1 1030 1 1032 1 1 1373 1497 1 1164 1 1803 1 1 1 1 1 1033 1 1 1 1 1 1 1151 1103 1 1163 1 1385 1 1 1 1880 1544 1 1 1338 2446 1 1773 1562 1549 1368 1810 1 1 1684 1890 1 1823 2336 1 2187 1616 1741 2035 1908 2144 2199 2508 1455 2165 171.2103 *171.9743* C7 H5 Cl O S 6067 6248 5866 5585 6527 6659 6310 5968 6493 6665 6556 6805 6431 6516 6266 6736 6289 5819 6302 6425 6551 6679 7019 7074 6755 6603 6753 6349 5880 6118 6605 6777 7019 6713 6685 6840 6192 6494 7020 7107 7082 7140 6620 6497 7289 7169 6304 6543 6662 7536 9582 9546 8109 8167 8013 8020 7415 7740 6798 7034 9570 9031 7492 6947 8687 8078 8329 8164 7466 6927 10869 9628 7178 7493 7774 7825 10367 10151 10260 10199 11065 10683 9595 9868 10294 10526 10395 9412 8435 8360 171.9743 *172.0376* 2-Heptenedioic acid, 4-oxo- 1 1 1107 1 1917 2028 2006 1758 1 1 1460 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 1293 1 1 1 1006 1967 1 1 2182 1610 1 3387 1 2086 1 1 2414 1 1 1789 2986 2132 1 1 2090 1 1809 1629 1208 1505 1 1 1627 1 5041 3458 3444 3481 1 1749 1 1776 1668 1652 3422 2995 1761 1970 2219 2129 2352 2931 1 1 2441 2437 2577 2761 3203 1 2969 2477 2045 2029 172.0376 *172.0397* 172.0397@1.3055812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4248 1 1 1 1 1 1 1 1 1 1 4489 4242 1 1 1 1 7083 7765 1 1 1 1 1 1 1 1 1 1 2284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0397 *172.0413* 172.0413@1.9969945 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0413 *172.044* 172.044@1.3152773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4041 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.044 *172.0529* 172.0529@2.038594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0529 *172.0551* 172.0551@2.0496888 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1954 1 1 1 1 1 1 1 1 1 1 1 1 172.0551 *172.0581* 172.0581@1.3053471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0581 *172.0619* 172.0619@1.3078525 3737 1 1 1 1 1 1 2798 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0619 *172.067* 172.067@1.3070117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 172.067 *172.0697* 172.0697@4.358524 1 1 1 1 1 1 1 2758 1790 1 2390 1 1 1 1 1 1 1 1709 1 1 2433 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 2565 1 1 2971 3103 1 1 1 1 1 1 1 1 1 1770 1 1 1 1837 2333 1 1 1 1 1 1 1494 1 1 1 1 1502 1 1831 1 1 1 1 1 1628 1 1 1 1 1 1 1 2942 1 1 1015 172.0697 *172.0708* 172.0708@1.6404773 1 1 29866 1 46882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 74209 75726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43301 1 1 1 1 1 1 1 1 1 1 47058 46915 1 1 1 1 33762 1 45546 1 1 1 1 1 1 1 1 1 43915 43977 1 1 1 1 1 1 1 1 1 59749 172.0708 *172.0708* 172.0708@1.700029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34427 9550 1 1 1 1 1 1 1 1 1 1 172.0708 *172.071* 172.071@3.1592228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 2222 1 2469 3510 1 1 1 1 1794 3408 1312 1 1 1 1 1435 1 1 1 1 1 1 1 2125 1 1 1 1 1 1 1 1 1 1788 2253 1 1 1202 1 1 1 1 1808 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.071 *172.071* 172.071@3.0441253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.071 *172.0711* 172.0711@0.7775698 1595 1 1 1512 2500 2465 2529 1 1400 1 1 1904 1 1 1 1 1 1 1 1 1480 1 1 1234 1298 1 1 1 1414 1 2060 1 1 1 1 1 2492 1 1 1 1253 1 1 1 1 1 2218 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1085 1 1 1 1 1214 1746 1 1 1 1 1 1 1861 1 1 1 1 1 1 1092 1 1 1 1386 1 1 172.0711 *172.0711* 172.0711@3.7315404 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 1066 1 1 1 1 1 1 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 1 172.0711 *172.0711* 172.0711@3.9488838 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 1028 1 1 1 1336 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 2619 1 1 1 1 1 1 1 1 1 2636 1 1712 1 1 1 1 1 1 1 2480 1 2410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 172.0711 *172.0712* 172.0712@0.7032586 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2981 1 1 1 1437 1 1 172.0712 *172.0713* 172.0713@1.2991472 1 1 1 1 1222 1979 1 1 1 2573 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 1389 1 1 3469 1 1 1 1 1 1 1 1 3027 1 1 1 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1572 1 1 1 1 1 1043 3236 172.0713 *172.0713* 172.0713@4.185722 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1045 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0713 *172.0714* 172.0714@5.355175 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 172.0714 *172.0715* 172.0715@3.1225214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 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 1 172.0715 *172.0716* 172.0716@0.64651906 1 1 1 1 2870 1001 1 1 1626 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1516 1574 1 1 1 3552 1162 1 1 2163 1 1 1 1018 1717 1 2323 1 3008 2230 1 1 1 1 1 1 1 1 1 1586 1 1 1 1 3316 1 2099 1851 1 1 1 1705 1 2720 1180 1 1 1 3733 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1121 1 1324 172.0716 *172.0716* 172.0716@5.5190487 1 1 1 1 1 1 1 1 1 1 1 1 1 2668 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 1 1 1 1 1793 3069 1 1 1443 1999 1 1 1435 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 1991 1 1 1 172.0716 *172.0717* C4 H8 N6 O2 1 1 2234 1 1060 1 1 1295 1632 1 1 1 2536 2075 1277 1 1 2622 2553 1 1 3201 1476 1015 3320 1999 1 1 1819 1092 1 1 1 1 4686 1 1 1 1351 1846 2606 1577 1817 1 2576 2068 1263 1 1 1458 4117 1459 1 1849 1657 2358 1 1389 1 1732 1 1 1497 2222 2736 1368 1 2336 1 1 3039 1 1591 1 1 1 1 1423 2084 1 1308 1 1 1 1276 1 1216 1445 1 1 172.0717 *172.0722* 172.0722@6.716937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 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 1324 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 172.0722 *172.0736* 2-Octenedioic acid 1843 1895 5440 4750 2036 1059 1 1 1 2778 1 2725 1865 2196 1 1495 1 1 1 1 1 1 1 2775 32279 30716 1 2170 19059 20011 2649 1 1 2674 1 1 1 1 3359 3256 1 1576 1145 1 1 2138 1 1 1 1 1 1 1 1 1 1302 2364 2230 7630 6429 1401 1076 1 1 1080 1 1 1247 1197 2029 4199 4896 1 1 1 2809 10547 11369 1 2081 1 1 2418 1 2347 1159 1 1458 1 1168 HMDB00341 172.0736 *172.0789* 172.0789@1.1309686 1 1 1 1 1367 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 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0789 *172.0866* 172.0866@1.145755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0866 *172.094* 172.094@3.2455237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8530 12288 1 1 1 1 1 1 1 1 1 1 172.094 *172.0944* 172.0944@1.1305434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.0944 *172.1067* 172.1067@1.1080692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 172.1067 *172.1122* 172.1122@1.1305099 1 1 1 1 1173 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 2260 1903 2459 1 1 1 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 2117 1139 1 2353 172.1122 *172.116* 172.116@2.8436258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.116 *172.1175* 172.1175@1.1052238 1 1 1 1159 1 1006 1269 1605 1 1619 1338 1369 1 1286 1518 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1546 1 1 1 1 1 1673 1951 1 1387 1 1331 1 1 1 1 1 1 1 1 2001 1 2279 1 1 1 1 1 1 1 1 1 1 1189 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 2054 1 1149 1 1747 1386 1 1 1 1858 1518 1 172.1175 *172.1202* C8 H16 N2 O2 1 1 2775 2767 2746 2722 7422 7275 1116 1852 4152 3809 1 1 1 1794 2036 4172 1825 2469 2319 1630 1 1 1 1033 3182 2599 2553 2628 2629 1929 3219 1258 3440 4162 2890 3279 1934 1312 3221 3659 5365 2357 1 1 1321 2787 5006 4840 1 1 1 1 1 1 3335 2112 1 1 1 1 2975 1760 1 1 1 1 1765 2343 1 1 2243 1776 3107 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1202 *172.1217* 172.1217@2.7891407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1657 1 2436 1 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1217 *172.1222* 172.1222@1.110803 1180 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 1275 1 1 1 1392 1 1 1304 1 1 1 1 1 1 1 1171 1 1288 1 1 1 1047 1 1 1 1 1 1214 1075 1 1 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1222 *172.1244* 172.1244@1.1034876 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 172.1244 *173.0069* 173.0069@5.849015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 2389 2406 1 1 1 1 1 1 1 1822 1 1 173.0069 *173.0453* 173.0453@1.1925131 1 1 1 1 1 1 4147 1 1 1 1 1 1 1 1 1 1 58789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18608 1 1 1 1 1 1 1 1 1 1 1 1 99570 107106 1 1 1 1 1 1 1 145962 173.0453 *173.047* 173.047@1.2775335 1 1 1 1 1 1 1 1 1 1 1 1 1681 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 1452 1 1 1 1 1 1 1 1 1 1 1 1 3809 1 1 1 1 1 1 1 1 1 173.047 *173.08* 173.08@1.648141 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 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 2233 1 1 1 1 1 1 1 1 173.08 *173.0844* 173.0844@2.075145 1 1 1 1601 1874 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.0844 *173.0847* 173.0847@1.2095304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 173.0847 *173.085* 173.085@1.6437474 1 1 1 1 1 3134 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 2746 2812 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2707 1 1 1 1 1 1 1 2696 1 2702 1 1 1 1 1 2310 1 1 1 1 1 3655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 173.085 *173.0856* 173.0856@2.0712497 1 1 1541 1 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 2175 1 1 1 1 1 1 1 1 1 1 173.0856 *173.0906* 173.0906@1.6620332 1 1 1 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 1913 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 4734 1 1 1 1 1 1 1 1 1 1 1 173.0906 *173.1016* 173.1016@1.6522179 1 1 1 1 1651 1 4795 1 1 1 1 1 1109 1 1 1 1 1 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 1 1 1 1 1 1 173.1016 *173.1047* 173.1047@1.7049801 1 1 1 1 1 1590 2063 1 1 1 3220 1 1 1 1 1 1 1 1 1 24053 20541 1 1 3561 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 9915 12291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2333 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1047 *173.105* 173.105@1.2141091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22603 22646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.105 *173.1054* 173.1054@2.336577 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1054 *173.1058* 173.1058@1.8163846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1058 *173.1104* 173.1104@1.4396843 1 1 1 1 1 1 1 1 1 1 1 4114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1104 *173.1163* Indospicine 1 1 1 1 1 1 3374 2873 1 1 4624 4250 1 1191 1 1 5480 5176 2680 1 5063 5336 1 1 1 1 4855 5065 1 1 1632 1765 1417 1 1 1 1 1 1 1 9764 9046 1426 1 1 1 1529 1868 1 1 5149 4991 13130 12590 5411 5435 1923 2170 5145 5561 19233 19071 11502 11540 26015 27010 36389 35536 2823 2892 11540 12388 11463 10518 11215 11061 5717 6066 80907 78731 16816 17240 5758 5703 18215 17884 5121 6112 9554 9222 C08288 173.1163 *173.128* 173.128@1.2164046 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.128 *173.1318* 173.1318@1.6090947 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1318 *173.1364* 173.1364@1.209449 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 173.1364 *173.1366* 173.1366@1.607906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1366 *173.1397* 173.1397@0.9493632 1 1 1385 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 1150 1 1460 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1077 2524 1676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1397 *173.1402* 173.1402@5.6744804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1344 1 1 1387 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1402 *173.1407* 173.1407@5.6815987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 173.1407 *173.1408* 173.1408@1.210783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3264 2570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10241 11944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6547 8437 7491 1 1 1 1 4366 6332 1 1 1 1 1 1 1 1 1 1 17619 18804 1 1 1 1 173.1408 *173.1411* 9-amino-nonanoic acid 2171 1646 2063 2388 2463 2572 2094 1634 1910 1849 1347 1524 1534 1615 2311 2667 1854 1956 2071 1777 1803 1541 1514 1723 1446 1474 4046 4406 3395 3878 1977 1916 2107 1977 1323 1458 1726 1 1699 1339 1595 1836 3175 3063 2553 2491 1858 1611 1929 1687 1686 2037 1769 1684 2325 2184 2811 2521 2095 2237 1405 1173 2127 2057 2029 2133 1879 1870 1938 1843 2538 2826 1 1 1666 1326 2091 2280 2753 2728 1294 1675 1966 1872 1446 1016 1719 1 1580 1992 173.1411 *173.1416* 173.1416@4.792969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 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 1 173.1416 *173.1531* 173.1531@1.1956422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 173.1531 *173.9314* C3 H4 Cl2 O2 S 1640 1456 1486 1353 1332 1736 1780 1386 1828 1623 1565 1420 1573 2121 1536 1883 1668 1774 1984 1442 1954 1712 1790 1420 1260 1512 1489 1741 1472 1559 1828 1984 1845 2086 1675 2006 1842 1323 2072 1557 1756 1958 1790 1651 1929 1903 1636 1974 1657 1960 2372 2907 2622 2150 2359 1944 1848 2265 2076 2049 2432 2566 1419 1719 2335 2505 2327 2538 1857 1870 3053 3115 1854 1863 2278 2076 2774 3000 2800 2902 2502 2808 2291 2673 2659 2704 2979 3137 2303 1 173.9314 *174.0166* 174.0166@1.8947387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1372 1 1 1 1 1 1 1425 1237 1392 1 1 1 1 1 1 1 1804 2006 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 174.0166 *174.0238* 174.0238@1.9684097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 174.0238 *174.0316* 174.0316@1.9733996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 2194 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1285 1 1 1 1 1 1 2984 1 1 1 1 1 174.0316 *174.0348* 174.0348@1.9813526 1 1 1 1921 1 1 1 1 1707 1860 3264 1 1 1 1181 1 1 1 1597 1571 1 1 1 1 1 1778 3935 1 1 1 1 1 3428 1 1534 1580 1 1 1 2460 1 1 1629 1 1 1527 1 1 1 1 1 1827 2046 1766 1 1 1 3278 1 1 1 1 1 1 3221 1 1 1 1407 1462 3874 3270 1 1 1 3904 1499 1 1 1 1 2418 1 1 1 3130 1 1 1 1 174.0348 *174.0398* 174.0398@1.9809113 1 1 1 1 1 1 1 1 1 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 1194 1 1 1 1 1 1 1 1 1 1 174.0398 *174.0432* 174.0432@2.374519 1 1 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 1889 1 1 1 1 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1984 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 1 174.0432 *174.0507* 174.0507@2.5238879 1 2513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1 2762 1 1 1 2512 1 1 1 1 1 1 1 1 1 1781 2047 1965 1 4258 2942 1 1 2554 1 1 1 1 1 1 1 1331 1 1 2988 1 1965 1 1 1512 1 1 1 1 1 1 1 2386 1 1 1 1 4629 4348 1 1 1 1 1 1 1 1 1 3877 1159 1 1 1 1 1 1 4479 174.0507 *174.0618* 174.0618@2.024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 1 1 1 1 1 1 1 1 1 1 174.0618 *174.0641* 174.0641@2.8497448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18069 18690 7960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18224 1 1 1 1 1 1 4765 1 1 1 1 1 1 1 6351 6238 1 4145 1 1 1 1 1 6290 1 1 174.0641 *174.0641* Formimino-L-glutamic acid 8576 8584 25685 26041 4295 4601 13475 11826 13040 14013 8436 7738 12451 12115 10740 9891 11145 10977 14084 12038 11392 11944 14918 15358 8961 9620 8394 8025 7176 6738 1 1 2776 9239 12973 13418 19268 17273 17650 17434 19075 19708 12748 13660 8897 8582 14903 14292 11566 10909 11122 10346 9748 8857 8531 8080 10961 12131 25339 22961 15437 15165 22700 3972 11356 11542 14640 14164 14826 14321 8076 13379 8467 7749 12773 12680 11789 11752 12784 12923 11410 7586 6660 6924 15590 17134 9474 2371 17007 18242 174.0641 *174.0645* Formimino-L-glutamic acid + 5.156737 1 1 2208 2097 1 1 1081 1206 1 1 1 1 1 1 1327 1570 1 1 1 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 2135 2453 2752 2383 2614 1 1 1 1 1 1 1 1 1437 1370 1 1 1 1108 1 1 2188 2344 3035 3196 2125 2108 1746 1491 2143 2010 1 1 3093 2752 1 1 1 1 2158 1964 1 1 3272 3426 1231 1380 3609 3346 1 1 1580 1292 174.0645 *174.0646* 174.0646@2.22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13909 1 1 1 1 1 1 1 1 1 1 174.0646 *174.0647* 174.0647@4.654395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1293 1 1 1 1 174.0647 *174.0652* 174.0652@2.126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10550 1 1 1 1 1 1 1 1 1 1 174.0652 *174.069* 174.069@2.932598 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.069 *174.072* 174.072@2.2793343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.072 *174.0791* 174.0791@2.2024002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10273 10460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.0791 *174.0792* 174.0792@1.6845745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21675 23018 1 1 1 1 1 1 1 1 1 1 174.0792 *174.0895* 174.0895@1.2916954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2332 1 1 1 1 1 1 1 1 1 1 174.0895 *174.0975* 174.0975@3.2020302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5657 1489 1 1 1 1 1 1 1 1 1 1 174.0975 *174.1111* 174.1111@8.380268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7921 1167 3391 1 1 1 1 1 1 1 2421 4108 1 1 1 1 1 1 1 1 8398 10480 1 1 1 1 10291 9251 3406 5047 4406 12913 9196 6041 7931 9513 8822 5864 3829 3925 174.1111 *174.1114* 174.1114@8.392194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5408 1 1 1 1 1 1 1 1 2574 1 1 1 1 1 1 1 1 1 2730 1 1 1 1 1 1227 1 2941 1 7355 1 1 2476 1 1 1 2176 1 1 174.1114 *174.1134* 174.1134@1.2133597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.1134 *174.1175* 174.1175@1.2197337 1 1 1 1 1 2218 1 1 1 1128 1 1 2470 2042 1 1 1 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 1 1 1 1 2148 1 1 1 1 2537 2196 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1958 1 1 1 174.1175 *174.1216* 174.1216@1.3358086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 174.1216 *174.1245* C5 H14 N6 O 2038 2244 2049 2114 1665 1 2528 2415 2264 1711 2851 2744 1 1 2251 2202 2180 1092 1950 2258 2204 5139 2063 1480 2673 2476 1 2608 2706 2438 2791 1 2068 2676 1 2223 1 1 3422 1 2015 1 1 1 1 1 1616 1045 1 1 6270 6432 1 1 2179 1756 1 1729 3492 2163 1 1 1 1513 1 2132 2006 1 1922 1 1 1 2219 1 1813 1 1 1 4510 4088 1892 1117 1 1 1 1 1 2002 8389 9747 174.1245 *174.1278* 174.1278@1.1476665 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 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 1 174.1278 *174.1324* 174.1324@1.2075675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38163 3004 1 1 1 1 6188 7960 3243 1 1 1 2011 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1751 1 1 1407 1 1 1 1 1 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.1324 *174.1356* 174.1356@1.1901603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 174.1356 *175.0131* 175.0131@1.2234397 1 1 1 1 1 1 1 1 3005 3560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3259 3257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0131 *175.0581* 175.0581@5.816132 1 1 1391 1 1251 1263 1709 1294 1 1 1357 2123 1 1 1 1 1 1 1167 1 1 1 1 1 1 1 1355 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1 1 1379 1066 1 1 1335 1495 1500 1 1271 1067 1 1 1 1 2502 2643 1 1 2021 2142 1 1 1730 1940 1742 1725 2276 2539 1768 1529 2055 2961 3180 2898 1 1467 1905 1773 1 1868 4381 2857 1 1 175.0581 *175.0595* Guanidinosuccinic Acid 1 1 1 1684 1304 1385 1364 1605 1 1 1948 1640 1 1 1 1 1 1153 1 1 1561 1210 1 1 1119 1 1312 1497 1 1 1630 1 1 1 1 1061 1 1 1 1 1 1 1678 1342 1105 1 1421 1181 1 1 1630 2015 1703 1376 1598 1479 1 1180 1 1 2174 1834 1 1824 2024 1737 1 1 1507 1408 1516 1635 2390 2248 1266 1706 2415 2064 1 1433 2148 1281 2074 1 1292 1978 3211 3879 1 1345 HMDB03157 C03139 175.0595 *175.0631* 175.0631@1.1355362 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0631 *175.0639* 175.0639@1.1426476 1 1 1 1 1 17164 1624 1903 1 1 1679 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1326 1212 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 1 175.0639 *175.0655* 175.0655@2.0999324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2190 1 1 1 1 1 1 1 1 1 1 175.0655 *175.0742* 175.0742@2.8763971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0742 *175.0782* 175.0782@2.8964741 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 1 1 1 1 1291 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1749 2174 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.0782 *175.0831* 175.0831@2.912751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 2199 1 1 1 1 1 1 1 1 7336 8451 1 1 1 1 2131 1 1483 1 1 1 175.0831 *175.0836* 175.0836@2.1998982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18837 18645 1 1 1 1 1 1 1 1 1 1 175.0836 *175.085* 175.085@1.6154279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.085 *175.0856* 175.0856@1.3233888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3511 3210 1 1 1 1 1103 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 2717 2698 1 1 8626 8008 1 1586 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 1 175.0856 *175.1002* 175.1002@1.2057656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.1002 *175.1198* 175.1198@4.9421997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 175.1198 *175.1211* 175.1211@4.998913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1466 1 1 1 1 1 1 1126 1180 1096 1 1 1 1 1 1 1 1 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 1820 3147 1 1 1 1 1 1 1 1 1 1 1608 2165 1 1 1 1 1 1 1 1 1 1 175.1211 *175.1319* 175.1319@6.6082535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 175.1319 *176.0383* 176.0383@1.4234822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0383 *176.0477* 10-hydroxy-8E-Decene-2,4,6-triynoic acid 2124 2386 1 2218 1598 1909 2482 2523 2820 3183 2422 2595 2337 2188 1561 1694 1604 1406 1981 2171 3573 3169 5343 5862 2696 1 3115 3424 3009 2682 2618 2775 2623 2141 1359 1304 1621 2269 2723 3094 2530 2624 2203 2625 1936 1836 1746 1498 2639 2706 3929 3981 3788 3664 2472 2455 3871 3605 2270 2003 2378 2571 2283 2412 2578 2405 2614 2728 1896 1777 1 1 2171 2299 2469 2565 2832 2876 3554 3432 4180 4484 2884 3080 4689 5522 3563 3897 3267 3044 176.0477 *176.0689* 176.0689@2.4605815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 176.0689 *176.0696* 176.0696@2.329984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2132 1 1 1 1 176.0696 *176.0765* 176.0765@2.2193007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 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 1 176.0765 *176.0947* 176.0947@2.9330254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22289 23391 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0947 *176.0953* 176.0953@1.4397469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5378 2927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0953 *176.0955* 176.0955@2.8276262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7347 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 1 176.0955 *176.0957* 176.0957@2.1101632 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 13989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4799569 4776110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618087 619350 1 1 330171 329755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0957 *176.0958* 176.0958@1.5398185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6197 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0958 *176.0979* 176.0979@2.0389814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16536 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.0979 *176.1012* 176.1012@1.83366 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1012 *176.1021* 176.1021@2.1551502 1 1715 1 1 2197 2077 1 1 1 1048 2698 3424 1 1 1 1 3016 1094 1 1 1 1 1 1 1 1 1 1 1 2379 1807 1490 1 1 1 1 1 1 1 1 1261 1 2310 1 1 1 1 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 1 1 1 1 1 1 6023 13570 1 1 1 1 1 1 1 1 1 1 176.1021 *176.1021* 176.1021@3.1409543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 3608 1 1 1 1 1 1 1 1 1 1 176.1021 *176.1029* 176.1029@1.151588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1029 *176.103* 176.103@2.6276696 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 4912 1 1 1 1 1 1 1 1 1 1 176.103 *176.1031* 176.1031@3.1720974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 176.1031 *176.1032* 6,8-dihydroxy-octanoic acid 2685 2095 1 2929 1 2258 2965 3428 2845 2722 3586 3434 1 1 1858 2421 4612 1 1 2910 3327 2175 1878 1 1 2519 2736 1 1 3406 2613 1730 1 1 1 1 3736 1 1 1 1 1398 2140 2982 1 1 1 1246 1 2245 1 1 1 1 1 1 1 2480 1 1 1976 1 1822 2470 2572 2345 1 1 1 1 1 1 1 1712 1 1539 1 2608 3478 2213 1766 2946 1 1 1 1 2711 1 1 1 176.1032 *176.1045* 176.1045@3.5297701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 3378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 176.1045 *176.1047* 176.1047@2.1482296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3018 3273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1047 *176.1162* 176.1162@1.1368994 1 1 1702 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.1162 *176.1195* 176.1195@1.1416206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 176.1195 *176.2059* 176.2059@2.1074255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11290 11849 1 1 4967 4246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.2059 *176.9561* 176.9561@2.1259162 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 176.9561 *177.0284* 177.0284@1.322645 1665 1664 1 1 4326 3795 1507 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 4206 4238 1 1 1 1 1 1 1 1 2680 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 1 1 1 1 1 1 1 3634 3333 1393 1 1 1 177.0284 *177.0337* 177.0337@1.3219182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 177.0337 *177.0764* 177.0764@1.5201409 1 1 1 1 1 1 4064 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 1 177.0764 *177.0768* 177.0768@1.4863864 1 1 1 1 1 1 2103 5681 1 1 3793 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2018 1 1 1 1 1 1 1 1 1 1 1698 1033 1 1 1 1 3297 3193 3216 3808 1 1 5282 4310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0768 *177.0771* 177.0771@1.2359029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0771 *177.0786* 177.0786@6.9770412 1 1 1 1 1 1 1484 1492 1416 1535 1 1 1 1 1 1 1723 1542 1624 1700 1 1 1 1 1 1 1735 1793 1 1 1843 1866 1 1 2236 2691 1 1 1 1 1 1 1361 1 1158 1544 1205 1 1 1 3437 3519 1661 1473 1 1 1616 1482 1 1 1074 1245 1292 1043 1177 1372 1 1 1822 1647 1 1104 1822 1880 1767 1792 1 1 3322 3130 1 1 1 1 2836 3377 4038 4319 1 1322 177.0786 *177.0792* C3 H11 N7 S 1 1 1 1 1958 1825 2898 2326 1 2544 4116 4274 4551 4237 1 1 1 1 2448 2557 1 1 1559 1868 1 1 1 1247 1312 1914 1 1 2361 1947 4194 4004 1344 1 2073 1912 2462 2761 1478 1153 1 1530 1541 1658 1662 1686 1 1 5066 5792 1 2195 2214 2894 1643 1598 1241 1060 1 1 3631 4102 1 1 4183 3186 4154 4767 3502 3823 3592 3928 3981 4332 2472 2243 1893 1815 2446 1474 1 1 3873 3680 1 1 177.0792 *177.0822* 177.0822@2.536817 1245 1 3157 3294 3489 5467 1814 1 1 1 2061 1407 1 1 1 1 4826 5547 1 3256 4956 5350 1 1 1 1 1 1965 1 1309 1 1 1 1 1 1 1 1 1 1 1 1 2467 1 2757 3638 2629 1 3660 3872 1867 3260 3124 2623 1 1 3190 4154 1 1 2152 5213 4484 2801 5518 4627 2071 2157 1 1 3512 2965 1 1 6751 7026 2615 2731 1 1 6931 6398 1793 1871 1 1 1 1 6999 7121 177.0822 *177.0837* 177.0837@2.582857 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 2568 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 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 1 1 1 1 1 1 1 1 1 1 1 177.0837 *177.0894* 177.0894@1.2299906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.0894 *177.1147* 177.1147@1.1405431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2045 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.1147 *177.1268* 177.1268@4.5981956 1 1 1 1 1073 1254 1528 1575 5957 5281 1 1 1 1 1447 1395 1 1 1335 1387 1240 1 2830 3337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 2447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4480 4413 1 1 1 1 1084 1403 1 1410 1246 1 1 1 5331 5293 7758 8505 1628 1623 1 1 1 1 1 1 177.1268 *177.1348* 177.1348@5.7150087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1131 1 1 1 1 1 1 1 1 1 1 177.1348 *177.2105* 177.2105@2.1349225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.2105 *177.2106* 177.2106@2.0858893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177.2106 *178.022* 178.022@1.2984709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.022 *178.0377* C8 H6 N2 O3 18228 18159 23493 23895 15783 15626 19251 18967 19102 19416 27602 28661 14456 15152 21943 20218 19529 20292 23217 23652 27565 26979 15238 15414 12513 13664 25489 25107 11395 11400 34900 34189 19561 26175 21137 22403 24477 24401 21316 21460 20067 18880 19361 18855 17628 17784 20015 19944 23976 25274 20473 22357 20700 20713 13344 14141 19463 20571 13242 14230 29648 29547 27652 26058 26224 26949 49302 49881 26912 26848 38876 37551 15069 16304 25383 25746 23915 24136 23749 24009 25655 19158 20741 21819 37469 38274 30681 31300 20545 22223 178.0377 *178.0381* 178.0381@2.2219865 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6630 1 1 1 1 1 1 1315 1 178.0381 *178.0733* 178.0733@2.6623392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 178.0733 *178.0739* 178.0739@2.5305345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25793 24106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11033 1 1 1 1 1 1 1 2318 1 178.0739 *178.0794* 178.0794@1.1168185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4057 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 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3459 3544 1 1 1 1 1 1 1 1 1 1 3644 3994 4211 3894 3591 3119 1 1 178.0794 *178.0807* 178.0807@1.1132643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 2648 1 1 1 1 1 1 1 1 1 2985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2921 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.0807 *178.0933* 178.0933@1.2037168 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 1326 1 1 1 1 1 1 1 1 1 1 1 178.0933 *178.0993* 178.0993@1.2103884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 178.0993 *178.1003* 178.1003@2.0937328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1003 *178.1032* 178.1032@1.2089022 1 1 1 1 1 1 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 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2591 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1032 *178.1041* 178.1041@3.247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3074 1 1 1 1 1 1 1 1 1 1 178.1041 *178.1105* 178.1105@7.2587404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7127 6446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1105 *178.1109* 178.1109@4.2178707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 178.1109 *178.1189* C7 H18 N2 O S 1 3796 1 2345 3157 1997 1 2255 2227 2865 1 3360 2261 2797 1 1974 2590 1574 1 2125 1 1 1 1 2594 3285 2442 2371 2935 1 1 1 1 1 1868 2559 1 2166 1 1 1 1505 1019 2207 1999 2302 1253 1356 1867 1957 1 1 3230 2381 2272 2618 1337 2410 1 1 1 2630 1 1 2318 2365 1940 1 2573 2272 1 1 1633 2270 2427 1447 1 1 2575 1695 1 1 1 1 1 1736 1363 4397 1192 1 178.1189 *178.1195* C8 H18 O4 10177 10395 8168 8995 8785 9618 9969 9794 10569 10445 9145 9490 12015 10243 18708 15589 8977 10121 12693 13757 13294 11112 11364 12299 13106 13569 10197 10091 11807 10581 5935 6442 11984 14114 10473 11232 7705 9899 7982 8661 7150 9812 8382 8685 8335 7777 7089 6965 7899 6792 13466 14954 10473 8981 10474 10074 9204 8763 7630 7095 6613 6069 7254 7641 10103 9346 10630 11333 5319 6974 3999 5731 7705 7349 5915 6781 5269 5249 7597 7419 6036 7418 9144 8455 1 11462 11105 9549 5552 5111 178.1195 *178.1198* 178.1198@1.314975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1285 1 1 1 1 1 1 1 1 1 1 1 178.1198 *179.0413* 179.0413@1.2999008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0413 *179.0527* 179.0527@2.192963 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0527 *179.0597* 179.0597@3.0455923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20902 11453 1 1 1 1 1 1 1 1 1 1 179.0597 *179.0622* 179.0622@2.177248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0622 *179.0666* 179.0666@1.2485291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 179.0666 *179.0756* 179.0756@1.2256174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 1 1 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 1 179.0756 *179.0784* 179.0784@2.0368426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1299 1 4505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0784 *179.0793* 179.0793@2.8270333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0793 *179.0794* 179.0794@2.3635387 1 1 21292 17018 1 1 1 1 1 1 44219 1 44631 38753 41120 1 1 1 1 19629 1 1 1 1 1 1 1 1 1 1 129296 127266 75951 60847 1 1 1 1 1 1 1 18097 1 1 1 1 1 1 1 1 62928 1 1 35292 1 1 1 1 1 1 1 1 1 1 1 1 1111 1 73472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24207 179.0794 *179.0795* Glucosamine 154338 158190 49342 71924 143845 81039 187626 190001 173231 166351 148790 1 104851 159187 134816 120803 108416 233214 1 1 182236 152457 155445 33278 81467 164267 179877 200214 244389 190876 79505 175299 1 1 168166 115336 419001 107048 1 46219 153645 166734 184518 179998 1 1 461948 216629 125186 71939 108841 466021 193558 240800 59510 113610 1 166355 1 1 1 39418 185525 1 184097 152885 100280 206769 287188 181888 166969 253664 219579 88927 1 65826 249723 1 76485 179489 225720 19703 1 26637 88697 198262 57026 1 1 59269 HMDB01514 C00329 179.0795 *179.0795* 179.0795@2.605676 1 116706 1 1 1 1 146709 1 1 1 1 1 44701 1 37467 1 125546 187753 1 39721 119015 1 215388 108890 1 1 1 165076 153063 200051 65129 1 1 1 118872 221781 1 1 1 1 1 74228 1 1 1 1 1 236173 1 197086 48703 1 1 45414 163660 1 1 1 1 1 1 302346 260031 1 1 1 245587 1 9830 1 214374 1 117502 126281 1 195899 1 1 1 1 150213 75491 1 247953 1 151250 1 1 1 132166 179.0795 *179.0796* 179.0796@2.7746139 1 1 1 1 33650 1 1 1 1 1 1 1 1 1 137320 1 1 1 1 1 1 1 63166 1 1 1 1 65904 1 1 1 1 1 1 158494 14390 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 16339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64780 1 1 1 1 23944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24307 1 1 1 1 179.0796 *179.0805* 179.0805@1.4790256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 179.0805 *179.0818* 179.0818@3.4169526 1 1 1 1 1 1 1431 1591 1 1 1 2415 1163 1 1 1185 1 1 1996 2195 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1665 1 1 1 1 1698 1914 1 1 1 1 1 1 1604 1853 2183 1 1 1912 1 1 1 1 1 1 2030 1 1 1 2143 2528 2519 2160 1 1 1 2886 1 1 1993 1 1 1 1 1 1 1565 1782 1 2711 2089 1738 2218 1 1 179.0818 *179.0863* 179.0863@1.5710741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 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 1728 1976 1 1 1 1 1 1 1 1 1 179.0863 *179.0921* 179.0921@1.6577141 1 1 1 1 1 1 4123 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 2421 1 1 2866 1 1 1 1450 1 1 1 1 1 1 1 1 1 2295 1573 1 1 1 1 1 1 1 1 1 1 179.0921 *179.0921* 179.0921@1.2912036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1049 1 1 1 1 1 1 1647 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0921 *179.0928* 179.0928@1.4497378 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0928 *179.0932* 179.0932@1.6948984 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0932 *179.0938* 179.0938@6.901787 1 1 1 1 1236 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.0938 *179.0958* 179.0958@1.2576121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3767 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 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1019 1 1 2148 2436 1 1 1 1 1 1 1 1 1 1 179.0958 *179.1033* 179.1033@1.2218877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2089 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 1702 1838 1 1 179.1033 *179.1094* 179.1094@1.2244384 1 1 1 1 1 1 1821 1 1473 1 1 1557 1 2092 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 2195 1 1 1 1 1 1952 1 1 1257 1 1 1 1 1 1 1 1 1 1447 1507 1 1 1712 1 1 2272 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 1 179.1094 *179.1124* 179.1124@1.2293789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1 1 1 1 1 1049 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 1 1 1 1 1 1 1 1 1 179.1124 *179.1179* 179.1179@1.2241248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.1179 *179.1443* 179.1443@1.1871657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 179.1443 *179.1512* 179.1512@1.1790246 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.1512 *179.1668* 179.1668@4.26216 1 9584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.1668 *179.1919* 179.1919@2.7767777 1 1 1 1 1 1 1 1 1074 3017 1 2899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 1107 1 1 1 1 1 1 1 1 1091 1 1 1 1 3510 1 1118 1 1 1 1 2341 1033 1 1 2109 1146 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1193 1 1 1768 1 1 1 1 1 1 1 1 1 1 1 1 179.1919 *179.1931* 179.1931@2.7345572 1 1 1 1 1892 1 1 1 1261 1 1 1 2477 1 1 1 1094 1 1 1 1004 1210 1 1 1 1 1 1 1 1010 1 1335 1 1 1 1519 1 1 1293 2625 1 1023 3292 1 1874 1 1405 1162 1042 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 179.1931 *179.1934* 179.1934@2.671807 2305 1 1114 1650 1048 1284 1146 1 1157 1111 1031 1102 1413 1 1756 1164 1091 1 1 1444 1074 3327 2622 1763 1070 1307 1433 1385 1166 1224 2307 1273 1214 1208 2925 1441 1 1 3374 1045 2793 1126 1549 1 1341 1 1117 1400 1672 3367 1798 3577 1432 1151 3413 1 1 1400 1033 3707 1225 1 2473 1 1 1 1 2372 1 1006 1214 1272 1 2966 1129 1166 1 1278 1 1 1150 1 1324 3913 1 1 3259 2663 1628 1192 179.1934 *179.1935* 179.1935@2.7049112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 179.1935 *180.0188* C7 H4 N2 O4 100802 101817 78123 77392 84454 64150 92875 93257 144745 146196 77726 79036 107747 106191 118283 117755 54253 54510 103260 107055 87675 86654 97511 97707 76738 78127 204802 210067 96631 99990 146790 144838 102073 104074 95588 91551 87891 88712 118461 123753 98239 96815 106620 108577 84534 85273 126052 124155 92449 95160 112130 117230 91908 92554 106975 104218 144833 149073 130366 129098 56056 52866 145802 141298 133883 133327 70841 75704 101679 97867 81123 81842 74245 75798 89947 90684 49575 56915 80330 79506 26985 27276 80070 78675 70541 68831 60756 62309 35397 35521 180.0188 *180.0192* 180.0192@1.2484896 1 1 1 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 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2468 1 1 1 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5467 1 1 4987 1 1 1 1 1524 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 180.0192 *180.0489* C4 H12 N4 S2 16170 13636 21333 22368 1 1 20403 22250 16629 15923 42985 43513 10653 15572 20954 16645 22531 17631 25304 25494 29320 23150 1 1 15065 16764 47183 49214 15166 12683 25394 33904 23173 23147 16879 13305 1 16621 15520 11287 16142 15409 20444 19354 1 1 20347 23493 19540 18105 1 1 1 1 1 1 20143 18992 1 15125 1 1 34675 33704 1 1 25134 36509 26402 26052 1 1 19315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0489 *180.0536* 180.0536@2.83712 1 1 1 1 18052 1 1 1 1 1 1 1 1 1 1 1 1 10737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12421 1 1 1 1 1 1 1 12025 1 1 1 1 1 1 1 14333 10901 1 1 1 1 13831 1 1 1 1 1 20799 15923 13466 1 1 1 1 1 1 1 1 14528 1 1 1 1 1 1 1 1 1 1 14200 1 1 1 180.0536 *180.0574* 180.0574@2.8316371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14672 1 1 180.0574 *180.0608* 180.0608@2.855739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9273 1 1 1 2364 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 6162 1 1 7402 7655 1 1 1 11328 180.0608 *180.0611* 180.0611@2.1770127 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 3016 1952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0611 *180.0643* myo-Inositol + 2.9682543 1 1 1 1 5158 4078 5425 5394 3998 3472 11712 9571 3072 2304 1942 1 1 1 3847 3938 1926 2689 1 1 1 1 2893 1 1 1 1 3723 3324 1 3001 1860 1 1 3542 1 4047 3594 1 1 1 1 1 1 1 1 1510 2111 6542 6219 4962 1 1971 4108 1248 1 18331 15673 1 1 13598 19074 4070 3076 12684 10980 28035 27602 1686 3509 9875 8496 35985 39958 6384 8586 12112 9975 6097 4797 52531 54616 20437 22009 3325 3085 C00137 180.0643 *180.0647* D-Glucose 158976 147904 1 1 209949 207202 525665 525326 576664 597046 345661 355979 769359 765435 391433 394393 140828 136937 428236 433263 115549 112663 430668 428219 121093 116636 260178 264434 344890 351123 428216 417390 252268 246887 318825 318871 300597 305273 374908 374201 916010 912613 46208 43563 108367 104859 434167 431537 127247 125153 285031 276586 1039777 1022989 67416 66890 102999 105385 373042 378490 197109 199137 17474 17320 433715 447089 158328 159999 491441 490452 396362 402600 573194 565414 474844 460928 670683 666593 445532 447313 333332 332736 113394 112633 372948 360470 240150 244688 216776 224118 HMDB00122 C00031 180.0647 *180.0652* Theobromine 1 1 1 1 20176 19341 9259 8962 11694 10748 9748 9250 22658 22230 8368 7984 1 1 8174 8109 6478 7312 16759 18596 1 1 1 1 12581 12627 2269 3338 11416 13122 8859 8959 4315 5189 9129 7101 11172 14886 1 1 3222 4793 1 1 1507 1691 7089 6825 23159 24651 1 3364 4722 4776 11481 11605 6015 8331 1 1 18348 17416 1 1020 10101 9050 12861 12503 25970 22807 20077 20226 14434 18022 6668 10302 6845 5914 3403 4110 27580 25936 6391 7589 5737 5833 HMDB02825 C07480 180.0652 *180.0662* 180.0662@2.8415062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5805 1 1 1 1 1 1 1 1 1 6122 1 5631 1 1 1 1 1 1 1 180.0662 *180.0703* 180.0703@1.3514521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0703 *180.0718* 180.0718@2.867202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2957 2416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5025 1 1 7801 1 1 1 1 1 1 1 1 1 1 1 1 10818 1 1 1 4743 1 1 1 1 4977 3534 6076 7855 1 1 1 1 1 1 1 1 1 1 180.0718 *180.0766* 180.0766@1.2913519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 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 1 1 1 1 1 1 1928 1 1 1 1 1 1 1 1 1 1 180.0766 *180.0797* 180.0797@1.6409696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 180.0797 *180.08* 180.08@2.3036945 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.08 *180.0821* 180.0821@2.7396975 1 1 1 3395 1 12266 1 10117 1 1 16742 9269 1 25712 1 1 1 1 1 1 1 1 1 1 1 15498 28566 1 1 26373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 1 1 1 28433 1 1 5670 9821 14999 4625 5468 1 1 1 1 1 7955 1 1 5900 1 4358 1 1 1 1 1 1 16459 6770 5081 1 1 1 1 1 22060 16627 1 1 1 4899 1 1 1 180.0821 *180.0824* 180.0824@2.3765788 1420 1 1 2171 1 4298 1 1 3358 4598 7344 1201 3804 2198 1 1 6362 1 1 1 1 1 7657 1 1 1 1 1 4787 1400 1 1 2413 1 1 1 1 1 1 2528 1 1 1 1 1 1 1 1 1 1 1 1 1 2430 1 4141 4161 1 1 1401 1 1 1 1934 3647 1 1331 1 1 1 1 1 2674 6413 1 1 1 1 1611 1 1825 1 1 1 1 1 1 1 1 1 180.0824 *180.0824* 180.0824@2.5875616 2256 1 1 9414 12915 14981 1 1 3651 5825 11214 9239 16835 1 1 1 1 1 1 1 1 1 2954 1 1 1 1 1 1427 1 1 1 1 1 1 1 22657 1 10795 1 1 1 1 1 11101 18567 1 1 1 1 1 13900 21567 1 1 8043 3107 1 14300 1 1 1 1 11354 12505 1 9579 1 1 17502 2446 1 4128 1 1 7506 1 1 1 1 1 1 16797 1 1 17200 1 1 1 1 180.0824 *180.0832* 180.0832@1.194368 1 1 1 1 1 1 1 1 1 1 1937 1 1956 1 1 1 1 1 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 1 1 1 1 1 3930 2411 1 1 1 1 1218 1532 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1239 1314 1739 1 1 1 1 1 1 1 1 1 1 1 180.0832 *180.0855* 180.0855@1.1903973 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 1868 1 1 1 1 1 1 1 1380 1583 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1305 2247 1 1 180.0855 *180.0873* 180.0873@1.6683438 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0873 *180.0887* 180.0887@1.2976075 1 1169 1 1 2248 2051 1 1790 1 1634 1 1828 1030 1 1 1 1 1 1664 1 1 1 1 1639 1 1 1 1 1199 1019 1 1 2001 1406 1 1810 1 1 1807 1434 1375 1382 1 1470 1 1 1788 1 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 2425 2304 1 1 2375 1 1787 1818 1714 1800 2067 2061 2364 1762 1 1 1 1 1 1 2339 2358 1727 1 1 1 180.0887 *180.0926* 180.0926@1.1614232 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0926 *180.0947* 180.0947@2.0204563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5313 2115 1 1 1 1 1 1 1 1 1 1 180.0947 *180.0963* 180.0963@2.045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3695 1 1 1 1 1 1 1 1 1 1 180.0963 *180.1016* 180.1016@1.1469706 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1016 *180.1067* 180.1067@1.2045956 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1067 *180.1111* 180.1111@1.134447 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 1449 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 1 180.1111 *180.1166* 180.1166@1.0927778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1166 *180.1205* 180.1205@1.272994 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2141 1 1 1 1 1 1 1 1 1 1564 1 1 1099 1 1 1 1 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1205 *180.1226* 180.1226@1.254191 1 1 1 1 1957 1770 1841 1 1 1 1 1 1 1 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 1756 1 1 1 1 1 1 3592 1 1355 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 1 180.1226 *180.1288* 180.1288@1.1460847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1506 1 1 1 1 1662 1 1 1423 1 1 1554 1 2807 1 1 1 1425 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1744 1353 2459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1402 1 1 2624 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 180.1288 *180.1347* 180.1347@1.197735 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 1 1 1 1 1 1 1 1 1 1 1 180.1347 *180.1362* 180.1362@1.1879195 1 1 1 1 1 1 1 2058 2306 3194 1 3163 1203 1 1400 1577 1 1 1640 1305 1 1 1 1823 1 1 9358 8211 1384 1 1771 1 1 1 1 1026 1 1 1 1 1606 1 1 2820 1 1 1 1 1 1 1657 1 1 1 1 2081 1 1 1 1 1 1 1 1905 1 1 1 1 1 1 1224 1 1 1 1 1 1 1 1698 1236 1 1 1669 1 1 1 1293 1 1 1 180.1362 *180.1425* 180.1425@1.1937656 1 1 1465 1646 1 1 1 1 2204 1 2169 1 1 1 1 1 1 1 1 1 1 1 1477 1 1386 1 1 1 1 1 1 1 1 1 1 1 1605 2206 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 1946 1 1 1454 1 1 1 1 1 1 180.1425 *180.145* 180.145@1.2048153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.145 *180.1786* 180.1786@1.4342127 1143 1 1 1 1588 1 5625 7545 9424 8675 2970 4559 10805 12081 3003 3334 1 1 5247 5140 1 1 6256 5053 1 1 2658 2393 3880 3516 3287 4960 1 2248 2195 1358 2855 1249 3981 1 12998 16076 1 1 1 1 3883 3425 1 1 1 2246 15166 14999 1 1 1 1 3550 1 1271 1100 1 1 4358 3396 1 1034 4975 5107 3474 3768 6273 6892 2512 4039 5765 8169 4473 3300 1285 1 1 1 1 1 1 1963 1 1 180.1786 *180.1787* 180.1787@1.4931313 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1 1 1 1 1 1 1 1 1 180.1787 *180.2204* 180.2204@1.4552369 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.2204 *180.2232* 180.2232@1.4343109 1 1 1 1 1 1 1 2204 2895 3139 1058 1 4247 3974 1 1 1 1 1 1340 1 1 1 1493 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 4216 4013 1 1 1 1 1 1520 1 1 1 1 3724 5998 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 1212 1 1 1 2556 1798 1 1848 1564 1946 1282 1453 1 1 1 1 1 1 1 1 1 1 180.2232 *181.0507* 181.0507@6.746624 1 1 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1432 1325 1580 1381 1 1 1 1 2335 2410 1 1 1 1 1 1 4216 3970 3073 2991 2164 2464 3957 3851 1303 1378 1 1 1 1 1 1203 1343 1506 2809 2755 2923 3011 1 1 1 1 1 1 1 1 1 1 1 1 3226 3039 1 1 1 1 1 1 1 1 1 1 1 1 2406 2380 4577 4448 1 1 6894 7137 3526 3418 181.0507 *181.0562* 181.0562@1.1549973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0562 *181.0619* 181.0619@2.8373504 1 1 5812 7652 1 1 3139 1 1 3875 1 1 3988 1 1 4509 4003 1 5299 5497 1 7289 1 1 1 1 1 1 1 1 8235 1 10110 11655 1 1 1 1 1 4050 4366 4100 1 1 1 1 4366 1 7280 7478 1805 1 1 1 2114 1 6479 5389 1 1 3101 1753 1 1 1 3854 1 1 1 5861 1 1 3494 3971 6985 7113 1 1 1 1 1 1 1 1 1 1 1884 1537 4101 3265 181.0619 *181.0673* 181.0673@2.816333 1 3482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 2902 1 1 1 1 1 1 1 1 1 1 1 1 2991 1 1 1 1 1 1 1 2739 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 181.0673 *181.0705* 181.0705@1.5336586 1 1 1 1 1 1 4507 1 1 1 5723 1 1 1 2764 1 1 1 1 1 1 3377 1 1 1 1 1 4931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 2208 1 1 1 1 1 1 1854 2173 5287 1 3025 1 1 1 8225 1 1 1 1 1 1 1 10658 1 1 11261 1 1 1 1 1 4338 1 3343 1 11622 1 1 1 1 181.0705 *181.0711* 181.0711@1.197031 1 1 1 1 3770 3302 1087 1 1 1 1 1 1 1455 1 1 1 1492 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1727 1 1 1 1 1 1 1 1 1 1410 1 1 1 1 1 1 1 1 1 1 4140 4719 181.0711 *181.0711* 181.0711@2.8454943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 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 1 181.0711 *181.0718* 181.0718@6.5565586 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 181.0718 *181.0738* 181.0738@1.601831 2978 3194 5098 1 1 1 1296 1 6259 4944 5645 6824 1698 2702 5974 1 1 2540 1 1 2130 1 1 1 1 1 2511 5508 1 1 1 1 5382 3962 5924 1932 2026 1 3232 1 1 5697 3435 1684 3268 2169 1614 1 1 1799 1 1 1 1 1580 3167 3687 3143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3379 1 1 2814 1 1 1 3614 1 1 1 1 1 1703 1 181.0738 *181.0744* 181.0744@1.5838033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0744 *181.0748* Tyrosine 1839 2431 1 1 2325 2180 2779 1 1783 1756 1 1 1 1 2395 2105 1 1 2338 1 1918 1 2235 1794 2174 1991 1623 1920 1512 1589 1 2419 2111 2221 1991 1685 1435 2129 1 1 1 4004 2887 2421 1411 1550 1816 1574 2000 2036 1 4802 1 1 3204 3051 1 1 2124 1748 1 4011 3162 2471 6027 1 1861 1412 1 3009 4275 1 1 1 3120 3340 7789 1 1 5285 1 1 1 1 4032 3773 1 9592 2593 2746 HMDB00158 C00082 181.0748 *181.0795* 181.0795@2.7740002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0795 *181.0797* 181.0797@1.6631471 1 1 1 1 1 1 1 2543 1 1 1813 1706 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 6995 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 2245 1 1 2132 1 1311 1 1 1 1 1 1 1 1518 1303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0797 *181.0841* 181.0841@2.6552696 1 1 1 1817 1 1 1 1 3089 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 2752 1 1 1 1 1 1 2356 1 1 1 1 1 1 1 1 3064 1 1 1172 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0841 *181.0846* 181.0846@2.3988314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 181.0846 *181.0848* 181.0848@2.670768 1 1 2672 3091 1 1 1 1 2096 3539 1861 1 3504 1 1 1 1128 1 1 1696 1 1582 2085 1522 1 1 1 1 2258 1 1527 1 1 1528 1 1 1 1 1 2220 1984 1 1708 1754 2306 1 1 1472 1827 1 1 1 1 2068 1 1700 1781 1 1 1065 2232 1 1 5110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 1 1 2037 1 1 1 1 1 1 1 181.0848 *181.0889* 181.0889@2.4538734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 2895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0889 *181.0891* 181.0891@4.567153 1 1 1 1 1 1 1 1 1 1 1 1 8085 6072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.0891 *181.0935* 181.0935@2.4617932 1 1 2055 1 1942 2468 2923 3311 1 2375 4078 4095 2554 1345 1 1 2425 2920 2680 2709 2032 1 2407 1833 1 1 1929 1 1 1 5482 5729 1 1 2010 2389 2918 2412 4498 3632 4925 5089 3582 3048 1862 1 1 1 3316 1536 4414 5044 1 4436 1457 3291 3512 1 2185 2887 3253 4153 2385 2601 4154 3375 2413 4891 4259 5422 4377 4954 1 1 2469 3821 1 3371 3783 1 2291 3485 1 1415 7201 5842 4223 3502 3314 2577 181.0935 *181.0943* C6 H15 N O5 28528 28402 23231 25038 10355 9870 11315 13067 31768 31839 23691 25751 21048 21960 40341 38434 23930 25018 21009 21099 23106 22755 22134 21634 28841 24285 30711 1 18332 20205 24890 26209 3798 4255 19971 15639 32122 31653 26811 28056 17000 18076 8441 9106 23079 28399 24152 5454 1 26490 20774 19874 29798 26802 7694 36696 24155 24874 24997 23596 46200 46151 26056 24181 32840 34231 30173 26542 33582 36862 70405 68749 12205 16187 25502 20667 30587 29229 23607 24162 38248 37357 17972 12893 21190 21704 32450 32072 20708 20078 181.0943 *181.095* 181.095@2.1098447 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6353 1 1 1 1 1 1 1 1 1 3573 1 1 1 1 1 1 1 3417 6094 1 6923 1 1 1 6918 7397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2411 1 1 5610 9961 10584 4101 1 1 1 1 3937 5771 5709 1 1 1 1 181.095 *181.1028* 181.1028@1.2104893 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 181.1028 *181.1065* 181.1065@1.208263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5163 1 1 1 1 4038 1 3233 1 1 1 1 1 1 1 1 1 1 1 1 1 181.1065 *181.1145* 181.1145@1.2068993 1 1 1 1 1 1 1 1 3668 3969 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 3562 1 1 1 5312 4744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.1145 *181.1197* 181.1197@1.2249718 1 1 1 1 1 1 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 181.1197 *181.1369* 181.1369@1.224919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 3154 1 1 1 1 1 1 1548 1 1 1 181.1369 *181.1461* C11 H19 N O 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 1 1 1 4342 4139 11800 12205 1 1 1 1 6922 5831 5197 4882 3187 2896 2890 2935 3088 2409 1 1 17388 17769 1 1 1 1 1 1 1 1 5643 5582 9520 10171 1 1 1 1 1 1 1 1 1 1 1 1 1 4862 3667 3578 1 1 1 1 1677 1598 1 1 1 1 9509 10394 11125 9096 1 1 1 2192 6041 5354 181.1461 *181.1819* 181.1819@3.3788977 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.1819 *181.1823* 181.1823@3.5539143 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1062 1 1 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 1581 1084 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.1823 *181.1824* 181.1824@3.993751 1 1 4232 1 1543 1 1708 1 1 1 2264 1 3432 1 1 3541 1 1 1 1 1 1 2978 1 1 1 1260 1781 3188 1 1 1 4179 1232 1 1 2600 1 1 3102 1246 1 1912 1 2103 1174 1 2704 1185 1411 1666 2459 1 3163 1 1 2198 1 2460 1 2316 1 1 1524 1523 1 2804 2979 1 1 2824 1 1 1 1 1 2505 1 1677 1 4720 3176 1 3069 2750 2546 1 1 1 2547 181.1824 *181.1825* 181.1825@4.2609987 1 3252 2780 1 4622 6340 1 1 1 1 1 1 1 4166 1 10219 1 1879 1 1 4021 1 1 1 1 1 2445 2701 1 1 2217 1 3776 4243 1 1 1 1 1 1 2957 1 1 1 2237 1 1 1 1 2236 1791 2477 1 2191 1 1 1 1990 1 1 1 1 1109 7927 1589 2463 1 1 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1657 2933 1652 1 4599 1 1 181.1825 *181.1826* 181.1826@2.8671541 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3622 1857 1 2078 1 1774 1 2260 1 1694 1 181.1826 *181.1827* 181.1827@4.170926 1862 1 1 1 3752 3994 1 1 1 3036 1 1 1 2919 1 1 1 1 1 1 1 1 4512 1 1 1 1429 3490 1 1 1 1 1653 1666 4242 1 1819 1 3503 1 1 1 1 1 3889 1340 1 1 1074 1473 2245 1979 1 1 2040 2771 1 1 1211 1 1180 1 1 1 1724 1 1 3199 1 1 1 1 2243 1 1 1624 7121 1 3345 1 4499 4709 3173 1153 1055 1 1 1 1 3647 181.1827 *181.1827* 181.1827@4.304978 1 1120 4714 1 1951 1546 1 2665 9627 1 1 7944 1 4112 1 1 1 1 1 1 3454 1 1 1 1 1 3252 3105 1 1135 1 1 5025 1 4973 5299 1 1 1965 1 1 1 1 1 1524 1 1 1 1 2565 2827 1361 1 1 5235 3986 1 1 2904 1 2957 1 1218 1 2047 2693 8806 1 1 1 1 3032 1 1 1 4747 1 1 3051 1 6129 5470 1 3054 5681 1889 1 2181 2376 3714 181.1827 *181.1827* 181.1827@4.296352 1 1 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 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 3540 1 1 1 1 1 1 181.1827 *181.1828* 181.1828@3.4338217 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.1828 *181.1829* 181.1829@4.080141 6542 4769 2840 3182 1623 2074 2009 3834 2479 4765 3850 3040 2798 2012 1 2078 1 4458 1 1 2974 2584 2331 1950 1 2357 2550 2353 2872 8990 2614 4062 1569 2137 3719 3495 2311 1 2367 2294 1924 1 2363 1 1356 2410 2659 1917 1670 2073 1867 2028 1057 1689 2248 1531 1550 2751 1441 3685 1738 1584 4127 1998 4567 1523 2022 1319 1 1760 1881 2080 1149 1 4087 2303 2436 1870 2183 1506 1690 2253 1771 1826 2221 2115 2537 2615 1771 2133 181.1829 *181.1837* 181.1837@2.792546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 181.1837 *181.9525* 181.9525@2.0168087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9525 *181.954* 181.954@2.0712502 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 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 1 181.954 *181.9543* 181.9543@1.2463961 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 1324 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1674 1 2565 1 1 1 1 1 1 1 1 1 1374 1 1242 1 1 1 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181.9543 *182.0475* 182.0475@2.3309877 1 1 1 1 1 1 1 1 1 1 2235 2428 1832 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2777 1 1 1 1 1 1 1 1 1254 1307 1 1 1 1 1 1 1 1 1 1 1 1 2090 1961 1048 1 1 1 182.0475 *182.0482* 182.0482@2.8409047 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0482 *182.0514* 182.0514@2.3308628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0514 *182.0591* 182.0591@2.8258407 1 1 1 1 1 1 1 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0591 *182.0599* 182.0599@2.337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 182.0599 *182.0675* 182.0675@4.4312563 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 1 1 1 1 1293 1 1134 1164 1015 1 1 1 1175 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3576 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 1881 1 1 1240 1 1 1 1 1 1 1 1 1 1 182.0675 *182.0677* 182.0677@3.718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 182.0677 *182.0688* 182.0688@2.8088052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0688 *182.0699* 182.0699@2.181408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1749 1 1 1 1 1 1 1 1 1 1 182.0699 *182.0723* 182.0723@1.4377373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 182.0723 *182.0736* 182.0736@4.235124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 2006 1492 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 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1257 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2567 3158 182.0736 *182.074* 182.074@1.0531636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.074 *182.0758* 182.0758@2.7957659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 182.0758 *182.079* Mannitol 1969 2440 47046 1 121001 121194 7827 8178 2465 62739 3491 3272 1834 1835 2083 1771 3598 3774 2569 1216 141393 136178 3988 4012 53137 2996 65777 56138 1 1 1556 1235 1982 1 63286 67182 5722 3186 4302 5028 2857 1 66846 2083 1 1 4890 4273 1 1 85985 10679 5846 4651 1 3225 3114 2850 2723 3014 116713 117514 2768 1 89570 8837 3459 1449 1918 3137 174527 12343 1828 3500 5922 5969 12327 125740 192401 186187 10955 125458 83383 1787 140613 2833 84080 7813 172781 168835 HMDB00765 C00392 182.079 *182.0792* 182.0792@3.3510838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2330 1 1 1 1 3047 1066 1 1 1 1 1 1 1 1 1 5252 1 11103 1 1 1 1 182.0792 *182.0796* 182.0796@2.7820687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1 1094 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 3219 1 1 1 1 2267 1 1 1 1 1 1 1 1 1854 1 1 3002 1 1 1 1 1 2252 182.0796 *182.0811* 182.0811@1.4425051 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0811 *182.0824* 182.0824@4.568815 1 1 1 1 1 1 1 1 1 1 1 1 1 1550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.0824 *182.0838* 182.0838@1.1757281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6920 9132 1 1 1 1 1 1 1 1 1 1 182.0838 *182.092* 182.092@1.1640708 3421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 2224 1 1 1 1 4741 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 4009 2450 1 1 2887 3063 1 2169 1 1 2971 1 2377 1 2435 2617 2390 2148 1 1 1 1 2404 1 3186 3173 1 1 1 1 182.092 *182.0941* 5-oxo-7-decynoic acid 1 3222 3328 4326 4789 3382 1 3617 2558 3251 3156 2808 2805 3751 3182 4067 2878 2191 4646 5285 3931 1 1 1 1 2837 3649 3094 2607 1 3597 1384 3209 2830 2826 3466 2610 3338 2606 2886 3308 3551 3844 2301 2164 2489 2679 2451 4161 3727 3217 3375 3356 5465 3863 4052 3725 3429 4039 3317 1 1 2098 2848 1 1 3591 1 1 2817 1 2887 1 2891 1 1 1 1 1 1 2777 1 1 2415 1 1 4646 4984 3634 1910 182.0941 *182.0943* 182.0943@1.6269383 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1427 1597 1 1 1 1 1 1 1 1 1 1 182.0943 *182.0987* 182.0987@1.6288054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2103 1 1 1 1 1 1 1 1 1 1 1 1 182.0987 *182.1003* 182.1003@2.8913496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 182.1003 *182.1042* 182.1042@1.2223802 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 1393 1 1 1 1 1 1 3976 1 1 1 1 1 1 1 1 1 1 1 182.1042 *182.1049* Ne-Methyl-L-lysine 5198 4081 4067 3812 9911 10219 4372 3705 1 1 6347 5403 4291 4774 6999 6180 1611 4394 6903 9259 26189 25860 2219 1 1 1501 18439 18070 1 1 18301 19970 17191 16517 3482 1 7710 6585 8799 7494 11190 11097 4237 3980 8654 9932 9861 9707 10177 8743 2833 3642 2707 4048 4222 4185 5072 5701 1 1 13677 12828 9178 8008 9820 9641 30372 19910 9760 9652 1900 1388 3029 2303 2443 7963 1985 1 1743 1 2064 1845 2569 1840 2871 2781 5948 5888 1 3429 C02728 182.1049 *182.1053* 182.1053@2.914427 1 1410 1 1 1 1 1 1123 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10662 1 1 1 1 1 1 5050 1 1 1 1 1 1 1 1 1 4861 5415 1 1 1 3232 182.1053 *182.1081* 182.1081@1.2140187 1 1 1 1 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 4534 1 1 1 1 1 1 1 1 1 1973 1 1 1 1 1 182.1081 *182.1159* 182.1159@1.2097391 1 1 1 1 1 2013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2302 4403 1 1695 1 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 2462 1 1 1 2262 1 1 1 1 1 2285 1 1 1 1 182.1159 *182.1181* 182.1181@1.1994592 1 1 1 1 1 1 1 2147 1 2444 1 1 1663 1 1 1 1 1374 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 2406 1 1 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 2055 1 1 1 1 1 1 1 1 1 1 1 1 182.1181 *182.1214* 182.1214@1.2096033 1841 1 1 1 1 1 1 1 2147 1 3680 4200 1 1 6370 1566 1 1 2119 1377 4344 1 1482 1671 2199 1924 1 1 1758 1 1 5193 1 1 3000 3643 1 1 1743 1778 2405 1800 1969 2879 1 1 1 1 5011 1 2353 1924 1 1 1 2387 1 1 1 1 1 1 5136 1 1 1 8594 7402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3504 1 1 1 2799 1 1 1 182.1214 *182.1277* 182.1277@1.0842681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 182.1277 *182.1305* 182.1305@1.2337433 1 1 8766 10700 1 2127 1 1 1 1 1 1 1 1 1 1952 1 1 2026 1 1 1 1 1 1 1 1 1 1 1 2446 1 20139 9493 1 1 16659 18447 1 1 1 1 1 1 72797 76945 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 11026 1 1 1 1 3287 1 1 1 1 1 1 1 1 1005 1 1 2427 17179 2722 13493 1 1 1242 8831 7662 1058 182.1305 *182.1356* 182.1356@1.3104113 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2222 2803 1 1 1 1 1 1 1054 1 1 1 1505 1 1 1 1 1774 1265 1632 1 1 1 1 1 1217 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2573 1 1 2719 2508 1 1 1 1 1 1 2862 3000 1 1 1 1 1 1 1 1 182.1356 *182.1394* 182.1394@1.302179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 182.1394 *183.039* 183.039@1.882909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.039 *183.0393* C5 H5 N5 O3 11253 15012 19090 13329 33180 20136 43041 18640 9011 6613 19504 44507 5724 7795 9969 15251 15033 23098 16056 20402 8552 42918 12933 3220 3688 16023 32639 14455 6375 14653 15621 15023 66281 34959 20636 4415 30468 15263 6924 9894 26248 8777 33221 13543 6832 2899 11113 12386 1 19107 21568 12031 5630 4152 8759 3840 1609 1678 10159 5552 36170 34049 26143 5850 14535 57205 11217 13800 15941 14534 9685 14469 29441 10180 1 4286 16365 45608 8076 12355 16785 9886 17847 17053 57626 31487 40133 72012 26494 5825 183.0393 *183.0393* 183.0393@2.230693 1 1 1 2219 1 1 4489 1191 1 1 2153 1 1 1187 1589 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 2078 1 3350 1 1 1 1 1 1 1 1 1 1 1 1 5221 1 1 1 1 3602 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1085 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1451 1 1 1 1 183.0393 *183.0394* 183.0394@1.6191578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0394 *183.0396* C5 H5 N5 O3 + 2.069888 1 1 6147 1402 5275 5701 2600 4026 5023 1 8940 1 2918 1359 3743 3127 2882 3798 4837 3703 3357 4577 1 1194 1871 1 4232 1 1 1 3910 5119 5327 5556 1606 4776 2523 6471 5041 4816 2509 3165 4317 5174 1 1 1483 4543 4109 5472 1273 1543 4880 6366 1 1 1 1 1 1 4973 15030 2141 4770 2852 7457 2207 4363 2613 3107 4612 7086 5431 1 5058 1234 4545 7215 1326 1872 1 7069 1 8630 1 12703 1 1 4331 1 183.0396 *183.0397* C5 H5 N5 O3 + 2.1794953 2492 1 1 1086 1317 1 7255 1752 1609 4097 2098 5766 1 1159 1305 4664 4472 1 1 3964 5965 1 1 1 1 1 1 1 1 1 1067 1070 3266 1400 1 1 7985 1550 1 1 1343 2294 1768 1291 1 1 1214 1346 1 3008 4460 3366 1 1 2449 1 1 1 1 1 5529 1287 3337 1145 6046 1492 2100 1 5138 1188 1 1 1673 1 1 6313 2776 1 1 1610 1028 1 1 2110 1 4325 1 1 1889 1 183.0397 *183.0398* 183.0398@1.8052261 1 1 1 1 1 1 1 1 1 1 3556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1711 1492 1 1 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0398 *183.0401* 183.0401@2.0428061 1 1 1 1 1 1 1 1 1 1 1753 1 1 2899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0401 *183.0405* 183.0405@1.6384338 1 1 1 1 3454 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1303 1 1 1 1 1 1 1 1 1247 1 6164 1 2724 1 4839 1 1 1306 1 3226 1053 2915 1 1 1 1635 1 1 1 1 1 1 1 2084 1 1 1 4206 1 1 1 1 1 1 1 1 4327 13454 1 1 1 1 1 1 1 1 1 1 183.0405 *183.0412* 183.0412@2.9014988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 183.0412 *183.0453* 183.0453@4.7217755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1131 1220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0453 *183.0514* 183.0514@1.4227111 1824 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 1 1 1 1 1 1 1 1 1 1 1 1 6381 4995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0514 *183.0531* 183.0531@2.9909725 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1558 1 1 1553 1 1 1 1 1 1 1869 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 1125 5949 1 183.0531 *183.0532* 183.0532@3.1745977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 183.0532 *183.0559* 183.0559@3.31428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 183.0559 *183.0874* 183.0874@2.016274 1 1 1 1 1 1 1 1 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 1 1 1 1 2092 1 1 1 1 1 1 1 1 1 1 183.0874 *183.0886* 183.0886@1.955711 1 1 1 1 1 1 1 1 2242 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 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 1 183.0886 *183.0892* 183.0892@2.9403484 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0892 *183.0893* 183.0893@2.5292044 1 1 1 1 2742 1 1 1 2179 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 1846 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 4996 2139 1 2192 1827 1794 1 1 1 1 1 1 183.0893 *183.0897* 183.0897@1.4841495 1 1 1 1 1 1 1 1 1 1 1069 1 1270 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0897 *183.0898* 183.0898@2.5391397 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 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3115 1 1 1 1 1 1 1 1 1 1 183.0898 *183.0922* 183.0922@2.8998377 1 1 2012 1880 1 1 1 1 1 1 1 1 1 1 1 1 3110 3279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.0922 *183.0998* 183.0998@3.4564505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5103 1 1 1 1 1 1 1 1 1 1 183.0998 *183.101* N,N-dimethylhistidine 1996 1708 2112 1616 1512 2213 4220 4720 1795 1798 2495 2289 8434 8183 15367 15153 6820 6972 1721 1651 2231 2276 1676 2111 1 1 1 1 1836 1763 3427 3246 6311 5808 3723 3976 2729 2915 4539 3927 22865 22952 4002 4035 2668 2521 2476 3224 3135 2969 15914 16979 5812 6106 8957 8610 2050 1861 7158 7375 17333 16471 25295 24600 5429 6024 14639 14570 2364 2513 16727 16970 7918 6674 33108 33212 19087 18704 10413 9995 15393 15331 17750 17206 6498 7063 11862 12200 7535 8233 183.101 *183.1072* 183.1072@2.2984347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 2278 1 1 1 1 1 1 1 1 1 1 1 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 3086 1 1 1 1 1 1 1 1 1 1 1 1 2158 1 1 1 1 1 1 4032 1 1901 1 1 1 1 1 1862 1 1 1 183.1072 *183.1074* 183.1074@1.2224736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1074 *183.1086* 183.1086@2.3009295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1090 1 1 1 1 183.1086 *183.1121* 183.1121@1.2242215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1121 *183.1131* 183.1131@1.2663785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1965 1560 1 1 1 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1131 *183.1197* 183.1197@1.2731088 1 1 1 1 1 1 1 1 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 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1711 1 2992 1 1 183.1197 *183.1242* 183.1242@1.2710238 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3244 1 1 1 1215 1 1 1 1 1 4094 3008 1 1 1 1 1 1868 1 1 1057 1 3232 3309 1 1 1 1 1 1179 1 1 1 1 1 1 1 1417 1 1 1 1640 1 1 1 2431 1 3020 1 1 1 1 1 1 1 1 1 3287 1299 1588 1 1 1 1 1 1 1 1 183.1242 *183.131* 183.131@1.2109165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6268 1 1 1 1 1 1 1 1 1 1 1 1 1 10717 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 1 183.131 *183.1385* 183.1385@1.2105224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183.1385 *183.149* 183.149@1.2083415 1 1 1 1078 1 1 1 1 1 1 1 2236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1 1 1 183.149 *183.1552* 183.1552@1.2091722 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 2523 3568 1 1 1 1 1 1 1 1 1648 1756 1 1 1 1 1 1 2971 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 1 183.1552 *184.0195* 184.0195@6.43933 1 1 3073 3130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22239 21807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0195 *184.0243* 184.0243@2.0844183 1 1 1 1 2333 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 1139 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 1114 1 1 1 1152 1 3668 1 1 1770 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 184.0243 *184.0249* C5 H4 N4 O4 1 1 1 2238 1 1404 3404 1 1 1 2261 4157 5962 2422 5209 1 1 1 4037 4013 2045 3590 1 1 1 1 1 6803 1 1 1 1 3874 5566 1 1411 4812 4541 1 1 1 3692 2437 1 1 1 1 1422 2234 3816 2721 1 1 6282 1 1 1853 1 1 1 7105 7587 1 1 7559 8102 2177 3589 6913 1 7269 7819 1 2898 1 1 5411 11312 1987 3542 4573 1 6144 1 9709 7555 2753 5327 3727 1 184.0249 *184.0254* 184.0254@2.408249 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 1167 1 1 1 1 1 1 1 1 1 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 1 184.0254 *184.0262* C5 H5 Cl N6 1 1 1 1 2356 1976 1 3414 1 1 5520 5314 1984 2326 2213 1 2665 2761 2671 3019 1213 2173 1325 1 1 1181 2379 3862 2173 1090 1490 3006 2968 3432 1 2521 5639 1074 1651 2639 1632 1403 2773 3999 1078 1 1 3678 2937 5679 1 2232 2258 2277 1334 1 1 2385 1 1 5539 7134 2864 1599 5209 6575 2286 3496 3369 5693 1898 4542 1607 3307 1799 1555 1829 8748 1 1247 1 6151 5337 5489 6579 10516 1349 4545 2767 2562 184.0262 *184.0268* 184.0268@2.9193084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1026 1 1856 1388 1837 1 1 1 184.0268 *184.0298* 184.0298@1.4718758 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1 3942 1 2985 1 1 1 1 1 1 1 1 6499 1 2766 3031 4598 5693 1 1 1 1 1 1602 4547 1 1 1 6086 1 1 1 1 2647 2765 1 1 1 4952 1 1 1956 1 1 2024 1 1 1 5051 5206 1 1 5065 1 1 1 1 4147 6118 1 1406 1 4298 7149 1 1 1 8922 1 10878 1 1 19661 1 1 1 184.0298 *184.0298* 184.0298@1.506397 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0298 *184.0304* 184.0304@1.4939806 1 1 1 1 1 1 1 4521 2229 4306 1 1 1 1742 1770 1 1 1 2077 1 2415 1 1 1 2842 2283 1 1 1 1 1 1 1 2341 2953 3007 3769 1 1 1131 3539 1450 1 1 1 1 7747 3245 1801 1 1 1 1 3443 1 1 1 1004 1 1 5262 1 1 1 1 1 19646 6647 1 7231 5871 1323 1 3822 3376 4324 1 1 1268 1 5442 1 1 1 1620 1 1 19983 1 1455 184.0304 *184.0318* 184.0318@2.3053045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0318 *184.0323* 184.0323@2.1760926 1 1 1 1 1 2175 1 1660 1 1 1 1 1 1 1 1013 1 1 1 1 2047 3217 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1780 1 1075 1 1 1 1 1 1 1 1 1081 1 1764 3197 1 1 2590 1 1 1 1 1748 1 1 1 1602 1852 1 1 1 1 1 2081 1 1698 1542 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 184.0323 *184.0364* 184.0364@2.190518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0364 *184.0414* 184.0414@2.2331302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1430 1 1 1 1 1 1 184.0414 *184.0558* 184.0558@2.2975805 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 1981 1 1 1 6189 1 1 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 1 1 1 1 1 1 1151 1 1024 1 1 1 1 1 1 6496 5680 1 1 184.0558 *184.0611* 184.0611@2.2727683 1 1 1 1 5188 4868 1 1 1 3346 12481 12672 1 3213 5085 1 1 1 1 1 2395 4482 1 1 1 1 1 1 1897 1 1 1 5485 1 1 1 1 1 1 3456 1 1 1 1 1 1 1 1 3815 3390 1 1 1 9906 1 1 1 2499 1 1 10194 12412 1 1 8801 7983 1 1 1 1 8570 9613 8326 2066 3016 1 10805 8479 1 1 4334 5083 1 1 17942 20652 1 1 2461 3989 184.0611 *184.0621* 184.0621@2.265986 1 1 1 1 1 1 5273 5035 8170 1 1 1 9153 6225 1 5334 1 1 4284 5577 1 1 4260 4874 1 1 7686 6100 1 1 1 1 1 1 3203 3522 1 1 6690 1 4609 2198 1 1 1 1 1 1 1 1 1 1 9273 1 1 1 8502 7294 4685 4349 1 1 1 1 1 1 9569 9743 16907 16262 1 1 1 6135 7304 10990 1 1 5070 7226 1 1 1 1 1 1 1 1 1937 1 184.0621 *184.0676* 184.0676@2.2441537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5303 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 2608 1 1 1 1 1 1 1 1 1 1 1 184.0676 *184.0729* 184.0729@1.6331819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 184.0729 *184.0741* 184.0741@1.0227203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0741 *184.0777* 184.0777@2.2473516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 1 1 1 1 1 1 1 4546 12363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0777 *184.0835* Hydroxylysine 1 2562 2714 2448 1 1 1 1599 5507 6077 5604 4065 5067 1 1 1 2137 1935 1 1 1 1 2441 1 1 1 4008 3847 1 1 7133 1978 4760 5365 1 2872 1068 1 1379 1 4695 3935 1838 1 1 2315 3237 1 1 1592 1 1 1 1 1 1 1697 1 1 1 8011 7368 3248 2325 1200 9558 1 1 3597 1 3829 1 1 1 1 1 4432 3455 1 3406 2694 1 1811 1 1335 4491 3087 3501 1554 2304 C01211 184.0835 *184.0837* Barbital 2723 2266 1 1 3334 3476 3969 1847 1 1 2367 2236 1 1 1 1 2652 1 3693 3917 1 1 1 1647 1 1 3037 2689 1 1 2111 1 1 1 2590 1 1 1 2619 4614 1820 3073 1 1 2107 1 2761 3114 2156 1 1 1 4214 4344 1 1 4143 1 1738 2106 1 1 2064 2631 7750 1 3145 2878 5176 8773 1 3292 4316 3715 2840 1 1 1 14086 10998 1 1 1 2285 3837 1 1 1 1086 1 184.0837 *184.0886* 184.0886@1.8927802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2126 2379 1 1 1 1 1 1 1 1 1 1 1 2906 1 1 1 1 1 1 1769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2273 1844 1 1 1 1 1 1 2545 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 1 1 184.0886 *184.0948* 184.0948@1.899555 1 1 1 1 1 1 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 1 1 1 1 1 1 1 1 2552 1 1567 1 1 1 1401 1 1 1597 1 1 1 1 1 1 1 3101 1 1 1 1 1 1999 1 1 1 1 1 1 1 1 1444 1399 1 1 1 1 1 2793 1 1 2100 1 1 1 1 1 1 1958 1 1 1 1 3257 3998 1 1 1 1 184.0948 *184.0967* 184.0967@1.7596288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 1 1 1 1 1 184.0967 *184.1011* 184.1011@2.0409083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 184.1011 *184.1037* 184.1037@1.1060392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5518 4041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1037 *184.1043* 184.1043@4.088153 1 1 2758 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3049 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 1 1 1 1 1 184.1043 *184.1091* 9-oxo-2E-decenoic acid 1393 3560 1181 1 1 1 1 1090 3128 2536 2043 2535 1448 1655 1 1 1 2853 1 1 3557 1655 1 4113 4042 1 1 5343 1975 1887 1 1 1 1298 1 1 1 1 3031 1 1 1 1 6192 1 1 1 2898 1635 2075 2526 2737 1 1176 3958 2819 2394 1 1113 1159 1 1 1 3026 1 1 1 3149 1 1 1 1 2836 1 3224 2444 2196 1522 1 5002 1 1 1 1 1 3031 1 1642 1 1 184.1091 *184.1103* 184.1103@1.2080518 1 1 1 1 1 1 1 1 1689 1 1 1 2179 1669 1 1 1 1 1 1 1 2432 1 1 1 1 1 1 1260 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1 1 1 1 1 1900 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 2284 1698 1 1 1 1 1 1 184.1103 *184.1109* 184.1109@1.368253 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1109 *184.1111* 9-oxo-2E-decenoic acid + 1.1382291 3534 2328 1 2589 1 1 1527 3333 1503 1311 1854 1 2649 2920 4250 5311 1660 2795 2477 1614 2033 1413 3408 1254 1 2870 1735 1 2924 2294 1893 1 3158 3230 1400 4318 1 1 1 1 2188 1 1 1 4433 1 1488 1 1341 2259 1495 3065 1527 2439 1 1107 3843 1 2271 1 1217 2623 2735 1951 2231 1338 1954 1317 1 1 1 1 1 1 1447 1 1847 1 7022 1615 2552 1737 3509 3647 1255 3266 1508 1 1 1856 184.1111 *184.1113* 184.1113@1.8911613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 184.1113 *184.1139* 184.1139@1.8879436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2903 1 1 1 1 1 1 1 1 1 1 1 1 4441 2253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1139 *184.1175* 184.1175@1.2358115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 184.1175 *184.1196* 184.1196@3.0479052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2559 1 1 184.1196 *184.1197* 184.1197@1.2762977 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 1 1 1 1 1 1 1 1 1 1 14323 13532 1878 1 1 1 1 1330 1 1 1 1 184.1197 *184.1198* 184.1198@1.8396461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10027 9996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1198 *184.1209* 184.1209@3.0208724 1 1 1 1 1 1 1 1 1 1 22651 1 1 1 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 2933 17410 1 1 1 1 1365 1 1 1213 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 1777 1 1 1 1 1 67029 1 1 14513 1 1 1 56314 2216 1 184.1209 *184.1213* C9 H16 N2 O2 479547 483545 367494 368522 305453 305485 216829 222112 67953 68513 669047 671936 483240 473921 641101 642100 337292 330178 660092 681405 1398474 1402487 388059 391220 458659 456955 1191040 1199482 214204 202026 907742 899904 774385 751532 416626 403698 604848 613588 557409 557862 1096118 1098294 607577 599873 641612 636617 537260 538536 807666 798279 623367 637550 488049 482992 741254 752042 651412 652985 124189 121033 631928 622898 554879 572170 594964 592743 1419269 1418473 486990 516147 339948 336953 380776 377584 484538 486913 251659 245358 421165 412096 420213 482244 516571 510056 354035 360109 453443 437087 571390 576854 184.1213 *184.1274* 184.1274@1.2217631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1274 *184.1733* 184.1733@1.0826781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.1733 *184.1807* 184.1807@1.0863268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1238 1 1 1 1 1 1 1 1 1 1544 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 1050 1 2089 1904 1660 1695 1 1 1 1 1576 1560 184.1807 *184.1816* 184.1816@1.0880904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 184.1816 *184.194* 184.194@4.0365996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2393 2590 1 1 3144 3515 1 1 1 1 1 1 2105 2272 1 1 1 1 1 1 2211 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 1 1 1 1 1 1 1 1 1 1114 1 1 1 184.194 *185.0314* 185.0314@1.4607395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0314 *185.0608* 185.0608@3.9704866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35722 34298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12243 13190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0608 *185.0611* 185.0611@3.737767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4422 3068 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0611 *185.0618* 185.0618@3.7643814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0618 *185.0625* 185.0625@4.341538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2269 2420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0625 *185.0684* 185.0684@1.9502887 1 1 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2403 1 1 1 1 1 1 1 1 1 1 1858 1918 1 1 1 1 1 1 1 2595 1 1 185.0684 *185.0694* 185.0694@3.241502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3635 1 1 1 1 1 1 1 2678 1 1 1 1 1953 2342 1743 1 1 3304 185.0694 *185.0695* 185.0695@2.3014522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 185.0695 *185.0743* 185.0743@1.9738675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2049 2124 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.0743 *185.0802* 185.0802@6.460091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5936 6931 1 1 1 1 1 1 1 1 1 1 185.0802 *185.0804* 185.0804@1.9200253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6800 1 1 1 1 1 1 1 1 1 1 2655 1728 1 1 1 1 1317 1 1 1 1 1 9897 21228 1 1 1 1 1 1 1 1 1 1 185.0804 *185.081* 185.081@1.8770208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10570 1 1 1 1 1 1 1 1 1 1 1 185.081 *185.0861* 185.0861@2.106716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2533 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 3450 1 1 1 1 1 1 1 1 1 1 2287 5402 1 1 3936 5335 1 1 1 1 1 1 1 1 1942 2136 1 1 1 1 1730 2886 1 1 1 1 1 1 1 1 1 1 4765 7817 4993 1505 1 1 185.0861 *185.1028* 185.1028@1.2886704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.1028 *185.1052* Ecgonine 3153 2908 2977 3030 1892 1893 6157 6612 3981 4219 4494 3864 1961 2067 3151 2942 3772 4072 2166 2015 1967 1947 2258 2609 2971 2929 5547 6267 1733 2089 6518 5715 2146 1923 1552 1456 2905 3117 1898 2207 2921 3095 4015 3789 1742 2201 4208 4638 2494 1961 3238 3302 3006 3773 3768 3370 2412 2894 1458 1243 4866 4351 6832 6611 5858 6061 3748 3685 5064 5614 3926 4464 6826 7178 5798 5842 3435 3143 4369 3608 2459 2681 3714 3567 3220 3077 11207 11380 3339 3275 185.1052 *185.1069* 185.1069@5.695301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1012 1 1 185.1069 *185.1085* 185.1085@1.2774798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2173 1 1 1 1276 1 1 1 1019 1529 1 1 2726 1 1 1 1 1 1 1 1 1 1 1463 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1673 1 4751 3542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 5054 1 1 185.1085 *185.111* 185.111@1.2606593 1 1447 1 1 1129 1 1335 1 1 1 1 1 1 1 1 1 1 1646 1 1 1 1 1 1283 1 1 1131 2069 1 1 1 1 1 1510 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1023 1 1 1596 1 2187 1 1 1448 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 1 185.111 *185.1187* 185.1187@1.3154782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.1187 *185.1237* 185.1237@2.934111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22722 1 1 1 1 1 20227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185.1237 *185.1316* 185.1316@1.2428563 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4299 1 1 1 1 185.1316 *185.1395* 185.1395@1.2024852 3296 2712 2997 2430 1807 2331 2229 2750 2923 1 3961 3729 2572 2910 1 3223 1648 1 1 3200 2990 3234 3145 3366 3287 5532 1 5279 3381 3042 2018 1 4965 4963 2733 2881 1 1 3192 3374 2845 2583 1 2917 1 1 2511 2383 1 2967 3196 2750 3404 1 1 3648 1 2678 2765 3097 1 1620 1 1 2701 2747 3658 1 2480 2466 2372 2564 2346 2696 2936 2910 2320 2189 3468 4066 1632 1427 3486 3399 1 1 3401 3649 1194 1154 185.1395 *185.2124* 185.2124@2.8687677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 1 1 1 1 1 1 1 1 3570 1 1 1 1 1 1 1 1 1 185.2124 *185.2131* 185.2131@2.8311298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1588 1 1 1214 1 1 1 1 1477 1 1 3689 2689 1 1 1 1 1 1 2162 2187 1339 2463 2579 1 2416 1800 1427 2278 1 2913 185.2131 *185.214* 185.214@3.92301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5389 3040 1 1 1 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 1286 1 185.214 *185.2146* 185.2146@3.8108296 1 1 1 1 1156 1 1 1929 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1042 1008 1 1 1 1119 1132 2442 1 1 1 1 1 1 1059 1037 1 1021 1 1 1356 1 2724 3125 1761 1322 2994 6057 1 1442 2059 1 1 1 1 1042 1163 1013 1 1 1 1 1 1 1 1 1 1 2088 1 1 1 1 1 1 1588 1137 1 185.2146 *186.0499* 2-Deoxyglucose 16277 16367 18802 17866 12130 10475 11561 10570 18071 17907 16053 17104 11175 10248 16891 18532 14987 15612 12147 10443 13169 12821 4708 10926 16074 16278 17810 16920 10947 10669 14263 13837 5361 5672 13212 13914 3884 1 14461 16615 10356 10001 8276 8605 13098 13322 17833 16145 12142 11670 9627 10795 11215 10790 14513 14723 11757 12361 12821 11913 15523 17898 15182 14199 15436 14919 16015 1200 18780 1094 19353 18909 10848 11503 15992 14687 12574 13668 7017 8042 14333 13567 10268 8448 11280 1002 14374 13018 8884 8529 186.0499 *186.0503* 186.0503@2.0310516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5298 1 1 1 1 1 1 1 1 1 1 1 1 1 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 14512 1 16641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10667 1 1 1 1 186.0503 *186.0542* 186.0542@2.9422984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0542 *186.0557* 186.0557@3.0010264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0557 *186.0584* 186.0584@1.8195804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 186.0584 *186.0585* 186.0585@2.0671413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0585 *186.0614* 186.0614@3.0156045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97236 100489 1 1 1 1 1 1 1 1 1 1 186.0614 *186.0653* 186.0653@2.749699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4457 4085 1 1 1 1 1 1 1 1 1 1 186.0653 *186.0722* 186.0722@2.1006515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0722 *186.0895* 186.0895@1.63618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 186.0895 *186.0924* 186.0924@1.1531776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 2175 2612 1 3368 1 1 1 1 1 1 1 1 186.0924 *186.0995* 186.0995@1.0577648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0995 *186.1009* 186.1009@6.3640738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1514 1 1 1 1 1 1 1 1 1 1 186.1009 *186.1114* 186.1114@1.1206169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1 11557 11223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1114 *186.118* 186.118@1.0751289 1 1 6392 6959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3743 3766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2889 2771 1 1 1 1 1 1 1 1 1 1 2323 2523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.118 *186.1209* 186.1209@1.3735025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1209 *186.1251* 186.1251@1.6035212 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1251 *186.1254* 186.1254@2.949403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1254 *186.1284* 186.1284@2.0287583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 186.1284 *186.1292* 186.1292@1.2149243 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1926 1 2314 1 1 1 1 1 1 1 1 1 1 1154 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1 1 1 1 1 1 186.1292 *186.1308* 186.1308@1.2223446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 186.1308 *186.1315* 186.1315@1.2158192 1 1 1 1040 1 1 1 1 1581 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 1538 1845 1264 1072 1 1114 1 1 1 1 1 1 1 1 1 1 1 1 2169 1 1154 1593 1 1 1 1 1 1 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 1 186.1315 *186.1341* 186.1341@2.0568755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1341 *186.1349* 186.1349@2.1910996 1 1 1 1 1 1 1 1 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 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 6200 2813 1 1 1 1 1 1 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.1349 *186.1365* 186.1365@2.5469973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3529 3847 1 1 1 1 1952 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 1 186.1365 *187.0469* 187.0469@3.771128 1 1 1 1 4157 1 1 4642 1 4198 1 1 5310 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5301 1 1 1 1 1 5983 1 1 1 1 1 1 1 1 1 187.0469 *187.0555* 187.0555@2.3821425 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 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 3352 1535 4089 3293 187.0555 *187.0612* 187.0612@5.6389337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24512 1 1 1 1 1 1 1 1 1 1 13643 1 1 1 1 1 1 1 1 1 32175 1 1 1 187.0612 *187.0633* Indoleacrylic acid 5312 4848 2509 2199 1 1 8849 9086 3229 2805 1774 1781 3613 3268 23511 23405 7727 7372 28832 29780 5211 6790 6031 6063 1793 1668 5339 4761 5583 6314 1 1 6580 6769 1 1 12272 11444 1 1059 9659 8778 5637 5320 1 1 6074 6747 1087 1096 2104 2248 6782 6449 3970 3609 1 3299 5488 5754 1 2898 4553 3729 2183 2274 7013 6418 1 1 3021 3082 2926 2170 1930 2452 2217 2198 1 1 2840 2171 2727 1 1 1 7579 8320 1 1 HMDB00734 C00331 187.0633 *187.0642* Indoleacrylic acid + 5.5617023 1702 1 1 4276 2635 1 3072 2270 1 1 3949 4464 2952 1 4137 1 3446 3728 1 2999 8489 2310 1 2251 1 1 1 1840 1 1 3547 4010 3018 2038 1 1 1 1 3065 1 10110 3860 1 3183 1 2157 1 2306 1 1 1 1 1 3047 3044 1 3596 11832 1918 1 15374 15007 1 3159 1 3802 1 9496 1 2742 1 13846 4065 4635 1 1 2481 1 1 1 1 2030 17921 2393 1 1 4911 30950 1 1 HMDB00734 C00331 187.0642 *187.0919* 187.0919@1.2074817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.0919 *187.1015* 187.1015@1.1448925 1 1 5129 4773 1 4069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2783 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 2674 4704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1015 *187.1099* 187.1099@1.5261014 1 1 1 1 1 1 1 1 1 1 1362 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1099 *187.117* 187.117@1.2087905 1 1 1 1 1 1 4470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.117 *187.1187* 187.1187@1.4900304 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 1 1367 1 1 1 1 1 1 1 1 1 1 1 2937 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5078 23071 1 1 1 1 1 1 1 1 1 1 1 1941 1 1 1754 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 2871 1 1 1 1 1 1 1 1 1772 1 1 187.1187 *187.1205* 187.1205@7.304888 1609 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 2298 2371 1 1 2258 2338 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1493 1552 1 1 1 1 1 1 1 1 1767 2490 1 1 3388 2488 2149 1 1743 1582 2059 2179 1 1 1 1 2451 2445 1 1429 1 1 1048 1 1 1308 6800 6675 1 1 187.1205 *187.1209* 8-Amino-7-oxononanoate 21092 1 10321 11078 1 1 3460 3638 14526 14418 3001 11667 16028 3260 37764 35149 7700 1 47552 47969 13963 14593 10421 9930 9628 8937 25976 3152 16482 16987 13428 11764 221280 218698 2121 1 36352 35906 28320 29113 12387 13911 3388 9842 2551 2202 6931 1 5836 1 1 6975 1749 3256 12574 12155 4217 11077 27884 30610 9720 11449 12587 11073 10296 2312 143918 148291 15207 13374 1 10862 16220 14944 14328 13299 1 10709 14557 20715 1253 1 9756 1853 10242 1 36623 34725 12661 12326 C01092 187.1209 *187.1425* 187.1425@1.2124029 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 1 187.1425 *187.1501* 187.1501@1.2169044 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1572 1582 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 1808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1501 *187.1554* 187.1554@1.2283494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1300 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2475 5562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 187.1554 *187.1684* N1-Acetylspermidine 6866 6483 6270 6139 4923 5461 6919 6107 6125 6762 7337 7881 5850 5620 6794 6581 6988 7522 5627 5820 5833 5980 4990 4775 9486 8814 7480 7186 5756 5484 5056 5503 6611 6846 6292 6937 5451 5649 5413 5385 8401 7805 7375 7339 5065 5019 5382 5563 5125 4446 8502 9124 6962 6755 8117 8338 5887 5137 5920 5904 6633 6381 5921 6133 5923 5674 5353 5567 4785 4892 9233 9824 6181 6190 6557 7113 7548 7776 4477 4219 5694 5598 7600 8102 8370 8270 9192 8818 4445 4684 HMDB01276 C00612 187.1684 *188.0502* 188.0502@2.3868496 4383 5372 1 1 1 1 5847 1 1 1 3992 1 1 1 4833 1 5484 1 1 1 1 5490 4958 1 7109 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1 4620 1 3081 1 1 1 1 1 5409 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 5032 2419 1 1 1 1 1 4325 3506 1 1 1 1 1 7158 8291 1 10054 1 7256 1 1 1 1 188.0502 *188.0502* 188.0502@2.4097936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 188.0502 *188.0507* C8 H12 O3 S + 2.812511 2918 3164 2324 2513 1 2357 3972 3826 2909 2962 1525 2786 4113 2201 3016 2758 3178 2463 3948 3536 3788 2392 3862 2917 3191 3966 4106 4569 4921 4838 2462 2605 1970 2021 1267 2227 2236 1 2087 2030 3288 2847 2559 2617 2888 2657 3096 3413 4249 3809 1 1 1707 1540 2457 2206 3029 2796 3196 2931 1 1 2194 2207 1 1 1 1 2948 2898 1 1 2366 1 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 2067 188.0507 *188.0507* 188.0507@2.4487891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2102 1 1 1 4466 1 3201 1 1 1 1 1 1 1 1 5116 1 1 1 1 1 1 1 188.0507 *188.051* 188.051@2.8277261 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.051 *188.0522* C8 H12 O3 S 4010 2804 1 5374 1 10435 7939 1 1 11144 3349 9142 11398 3108 1669 5445 1813 9778 3193 2245 13670 4623 6042 11194 6619 13529 6435 15873 10502 10986 10064 10636 2061 1227 1 7458 1 1376 7234 2088 8705 2204 8341 3280 2792 2449 7035 9288 9864 10470 13182 3088 2787 1 2638 1916 4356 7414 5895 7044 13073 12034 1 4383 1 1 5761 4053 4406 6672 3881 2031 11963 2244 4458 1 4882 6121 15742 19167 2561 4582 10031 5351 1 3159 12505 15447 12935 2582 188.0522 *188.0582* 188.0582@2.3114386 1 1 1 1439 1 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1379 1 2292 1 1 1 1 1 1 1547 1 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2690 1 1 1 1 1 1 4337 1 1 1 1 1 1 2341 1 1 1 1 1 188.0582 *188.0623* 188.0623@2.2434764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1876 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 5156 1 5338 1 1 1 1 1 1 1 1 1 1 188.0623 *188.0668* 188.0668@2.2880015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4997 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0668 *188.0669* 188.0669@4.1055603 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0669 *188.0768* 188.0768@1.1377541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 188.0768 *188.079* 188.079@1.6440876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47222 41354 1 1 1 1 1 1 1 1 1 1 188.079 *188.0805* 188.0805@1.565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2663 1 1 1 1 1 1 1 1 1 1 188.0805 *188.0865* 188.0865@3.321161 1 1 1 1 1 2673 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 1479 1168 1804 1 1 1 1 1 1 1 2194 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1 1 2289 2262 2829 1 1 1 1 1 1 1 1 2958 1 188.0865 *188.0915* 188.0915@1.1349722 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.0915 *188.1101* 188.1101@2.3010883 1413 4215 1 1 1318 1 1 1 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 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 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1101 *188.1133* 188.1133@1.2085514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1133 *188.1145* 188.1145@2.2867627 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1145 *188.1179* 188.1179@1.2116933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 188.1179 *189.0097* 189.0097@0.7867308 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1948 2273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0097 *189.0434* 189.0434@2.1055164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15373 14956 1 1 1 1 1 1 1 1 10092 13457 6662 1 32330 33409 1 1 24541 24998 1 1 1 1 19816 19686 1 1 1 1 1 1 18041 18312 1 1 1 1 1 1 16749 15567 5124 1 1 1 1 1 1 1 189.0434 *189.0449* 189.0449@2.1523035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0449 *189.0473* 189.0473@2.101657 1 1 1 1 5976 1 1 1 1 1 1 1 1 1 1 1 12790 4722 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 5223 1 1 1 1 1 1 1 1 1 7151 1 1 1 1 1 1 1 1 5126 4532 1 1 1 1 1 1 1 1 1 1 18347 15167 1 1 5904 1 1 1 1 6296 1 1 8937 8959 6215 1 189.0473 *189.0538* 189.0538@2.1067805 1 1 1 1 1 5692 2685 2872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 1 2239 1 1 1022 1 1 1 1 1 4683 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 5227 1 1 1 1 1 1 1 2013 1 5482 1 1 1 1 1 2937 3188 1 5813 1 1 1 1 1 1 1 1 1 5061 189.0538 *189.0611* 189.0611@2.0916736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4795 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 2653 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 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 189.0611 *189.0641* Glutarylglycine 4021 3725 4859 4570 5399 4792 4948 5124 5397 5915 4956 5844 7545 8770 4605 4576 4642 4438 6313 6957 1 4901 7192 6707 3215 3965 4941 5491 5488 6008 7041 7489 7646 7669 6103 6408 8838 9898 7818 7822 5742 5979 5930 6489 7043 7323 6159 6150 5582 5988 4624 5059 5250 6073 5680 5435 4318 4475 6411 7356 5088 5426 5492 5732 4833 4641 5003 5428 6686 6722 8795 8148 4662 5389 5806 5667 5228 6135 4971 5369 6983 7533 5759 5669 6505 6576 4283 4820 7079 7614 HMDB00590 189.0641 *189.0708* 189.0708@2.0657368 2229 1 1 1 1 1 1 1 1 1 1371 1 1 1 1046 1 1 1 1 1 1 1 1187 1 1069 1370 1 1 1115 1 1 1 1 1 1 1310 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 1 1 1 1140 1 1 1 1 1 1 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0708 *189.0752* Gly Gly Gly 1 1 7228 6949 1 1 3682 4210 9554 8714 1 1096 13227 2554 11353 3003 1 2059 4072 2649 7607 8554 1 1096 1 1 13513 13761 1 1 6733 6369 1 3858 1 1 4958 5440 1 5970 1 1 1 1 1 1 5443 5109 2843 9750 1 1930 1 1 1 1 1 1 1 1 8370 1 1 1 2104 1218 19517 9279 2551 1 2152 1 1 1 2901 2597 1119 9754 1 1 1 1 1 1 7910 7502 10703 1043 1070 8941 189.0752 *189.0764* 189.0764@2.1212769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 1 1 189.0764 *189.0768* 189.0768@2.1022592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0768 *189.0793* 189.0793@1.2070355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30987 29288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0793 *189.0804* 189.0804@1.4937828 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 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0804 *189.0827* 189.0827@2.1631725 1 1 1 1 1 2439 1207 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1429 1 1 1 1 1 1 1 1 1218 7526 1 1 1 2000 1 1 1 1 1 1 3077 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10706 8085 1 1 4073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7269 1 1 6468 189.0827 *189.0829* 189.0829@2.1926355 1 1 1 1225 3288 1 1 3192 1 1 1820 1630 2019 2439 1 2285 1 1 6747 4441 7810 7306 2748 1760 1 1 4091 3124 1 1 1 1 8387 5877 2119 6263 4847 4510 1 1 1 1 1 1 3647 4814 2002 1277 3763 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1382 27372 26453 1 1 1 1 1 1 4142 3614 1 1 1 1185 1 1 1 1 4387 8738 1 1513 1 1 189.0829 *189.0882* 189.0882@2.2432213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 189.0882 *189.0886* 189.0886@1.676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 189.0886 *189.0964* 189.0964@2.4412224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2656 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.0964 *189.1003* 189.1003@1.2763066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1003 *189.1109* 189.1109@1.2079625 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1109 *189.1124* 189.1124@5.8735137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1280 1 1 1 1 1 1 1 1 1 1 189.1124 *189.1149* 189.1149@1.0719382 1 1 2093 5609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2324 2344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1149 *189.115* 189.115@1.1660686 1 1 6409 4389 1445 2971 1 1 1 1 1 1 1 4474 2766 1 1 1 1 1 1 1 1 1 7436 2606 1 1 1 1 3348 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 1 1 6710 1 1 1 1 1 1 17531 6872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.115 *189.1173* 189.1173@1.2128559 1 1 5517 6242 1302 1 1 1 1 1 1583 1805 2061 1 1 1 1 1 1 1 1 1 1 1 3027 2993 1469 1278 1 1 3530 1 1 1 1 1 1 1 1 1 1 1 2157 2058 1 1 1 1 1 1 1 1 1 1 1 1 1947 2079 1132 1201 1 1 1 1 1071 1 1 1 1292 1 3604 3137 1 1 1 1 1 1 1 1 1 1 5563 1 1 1 1 1 1 1 189.1173 *189.1335* 189.1335@3.1998525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1335 *189.1341* 189.1341@3.6881666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189.1341 *189.1353* 189.1353@1.4524895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 189.1353 *189.9052* 189.9052@5.5623035 1 1 1 1 1 1 1 1136 1 1 1 1 1011 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 1170 1109 1 1 1 1 1 1 1 1 1282 1177 1 1 1044 1 1 1 1 1 1 1 1 1 1091 1312 1 1 1 1 1170 1423 1 1 1 1 1277 1281 1473 1558 1259 1250 1275 1281 1197 1582 1160 1093 1 1216 189.9052 *190.0248* 190.0248@1.2781659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1255 1 1 190.0248 *190.0338* 190.0338@6.823634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 1404 1 1186 1 1 1 1 1 1 1949 1784 1 1 1 1 1 1 1 1 2247 1765 1 1 1 1 1872 2267 1591 1934 1744 2189 1467 1 1641 1584 3739 2580 1723 1 190.0338 *190.0388* 190.0388@2.1960807 1 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 1 190.0388 *190.0394* C14 H6 O 4091 3638 6170 5686 3638 4266 3961 4444 1740 4323 6755 7216 3373 3536 4624 4885 5580 4363 6054 5673 6195 7025 2239 3871 3336 2639 5556 6710 2385 3241 8499 9073 5626 5905 5190 5332 5203 5677 5526 4538 5161 5604 4855 4402 3876 4420 4476 4812 4398 6365 5692 5735 5456 4793 4720 4034 4844 4637 4491 4517 6776 7808 6639 6796 6763 6778 11859 12789 6929 7174 10417 10859 4535 5300 7324 7433 6587 5833 4845 6605 7321 7284 5348 5812 9206 9905 8492 9104 5103 5948 190.0394 *190.0428* 190.0428@2.2079344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 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 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 1 190.0428 *190.0486* 190.0486@3.015011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0486 *190.0492* 190.0492@3.127987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3980 5450 1 1 1 1 1 1 1 1 1 1 1 1 4615 3071 1 1 1 1 190.0492 *190.0518* 190.0518@3.0843544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2625 1137 1 1 1 1 1 1 1952 1910 1 1 1 1 1 1 1 1 1 1 190.0518 *190.0561* 190.0561@1.3376817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1954 1938 1 1 1 1 1 1 1 1 1 1 190.0561 *190.0578* 190.0578@1.2066754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0578 *190.0579* 190.0579@2.0879579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0579 *190.0642* 190.0642@2.0735419 1 1 1 1 1 1 1 1 1 1 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 5529 1 1917 1 1 1 1 1 1 1 1 2080 1 1 1 9141 1 1 1 1 1 1 2043 1 1 1 1 1 1 1 1 1 8428 1 1 1 1 1 3113 1 1 6299 4112 1 3919 1 1 3556 1 3655 1 190.0642 *190.0651* C8 H14 O3 S 17514 6339 14702 6647 4868 1 1 1 8581 9491 9538 12460 6381 6433 9911 11731 5412 12008 9413 21908 10628 10810 24850 19746 4558 5445 18174 6560 4378 15393 9283 5245 1 1 2586 6728 5276 16859 12488 1674 4404 2832 1 2126 4432 5904 1291 13145 8113 6405 17284 5563 6264 5356 1 5650 3404 9093 4906 5466 7497 6871 3497 1748 1 6047 1 1 14146 14480 9928 2566 1 2103 2337 7216 18851 3945 4607 1346 3048 5713 1 1539 1 1 1986 18269 2806 12018 190.0651 *190.0679* 190.0679@2.0585923 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 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6601 5884 1 1 1 1 1 1 1 1 1 1 1 2567 1 1 1 1 1 2424 1 1 1 1 190.0679 *190.0696* 190.0696@3.0678787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1940 1770 1 1 1 1 1 1 1 1 1 1 190.0696 *190.0749* 190.0749@1.9792258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 2325 1 1 1 1 1 1 1 1 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 2838 1 1971 1 1100 3193 3405 1 1 1 1 1 1 1 1 1 1 2065 1496 1 2259 1702 2248 1 1 1 2282 1 1948 190.0749 *190.0854* 190.0854@1.2836399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2794 13177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0854 *190.0954* 190.0954@2.1979666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0954 *190.11* 190.11@6.579176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.11 *190.114* 190.114@1.2103508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3593 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.114 *190.1204* C9 H18 O4 2720 3978 3902 3095 3560 2438 3227 2723 2908 3216 2855 2694 3183 3469 3117 3030 1887 2206 2651 3371 2966 2717 2808 3075 5508 3874 2957 2994 2614 2663 2395 2201 3239 3171 2771 2936 2951 2365 2725 2953 2408 1 2251 2816 2674 3030 2195 2472 2570 2372 3481 3535 3048 2644 2415 2176 2662 3053 3863 2636 1 1 2341 2881 3399 3205 2612 3298 1 1 2077 1 2466 2505 3292 2353 1731 1846 3868 8065 1968 1723 2336 2836 2619 1935 2710 2535 2495 2128 190.1204 *190.1274* 190.1274@2.9065447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1251 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1274 *190.1398* 190.1398@1.1027904 5504 1 7340 7760 2433 1 1 1 1 1 2493 2350 1 1 2188 1 2132 2347 1934 2461 1 1 1 1 1 1 5622 2003 1 1 1 1 1 1 1 7795 1 1 6979 2511 1 1 2424 2385 1 5891 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 1 190.1398 *190.1443* C7 H18 N4 O2 1 2433 1 1 1 2413 2454 2475 2677 2532 1 1 3014 1567 1 2105 1 1 1 1 1838 1995 1 2577 2822 2753 1 1 1 2338 3435 2231 2322 1 2502 1 2481 1 1 1 2866 1316 1 1 1524 1 1 1 1 2314 2368 2566 1 1 2617 2433 2290 2462 1 1835 1 1 2768 2268 1 2389 2569 1 1805 1 3051 1 2104 1 1 1 2304 1 1 1 1 1 1 1 1 1 2535 2778 2408 1 190.1443 *190.1475* 190.1475@1.1143643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2890 2899 1 1 1 1 1 1 190.1475 *190.1483* 190.1483@1.1178302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 1 1 1 1 1 1 1 3407 2814 1 1 1 1 1 2479 1 1 1 3151 1 1 2712 2634 1 2935 3869 3412 3161 2793 1 1 2974 2959 1 1 1 1 190.1483 *190.1608* 190.1608@1.1036125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1608 *190.1674* 190.1674@1.066752 1 1 1 1 1 1 1 1484 1 1 1011 1462 1142 1 1 1 1 1 1 1 1548 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.1674 *191.0623* 191.0623@1.1728295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1433 1 1 1 1 191.0623 *191.0631* 191.0631@2.030884 1 1 1 1 1 1 2197 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 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0631 *191.0636* 191.0636@3.7541246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0636 *191.0684* 191.0684@2.1761816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 191.0684 *191.069* 191.069@1.1754638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 191.069 *191.0783* 191.0783@1.2098298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 2657 1 1 1 1 1 1 191.0783 *191.0797* 191.0797@2.1744685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0797 *191.0856* 191.0856@1.6905706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37544 25316 1 1 1 1 1 1 1 1 1 1 191.0856 *191.09* 191.09@1.799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 191.09 *191.0918* 191.0918@2.2233813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 191.0918 *191.0925* 191.0925@1.2003379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0925 *191.0969* 191.0969@2.27535 1 1 1 1455 11037 2024 1 1 1 1 1 1 1 1 1 1 1 1 1462 3524 1408 1310 1 3748 1 1 1392 5299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2488 1811 1 1251 1 10565 12794 1 1 1 2458 1 1 4175 4492 1 1 1 1 2805 1 1 1613 1 2761 1 1 1 2648 1 1 2729 1 1 1 1 1 4887 1 1 1 1 1 1 2101 1 1 191.0969 *191.0974* 191.0974@1.2079211 1 1 1 1 1 1 1 1248 1570 1 1 1 2071 2104 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 1 1 1 1 1 1 1 2427 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 3402 1 1 1 1 1 1 1 1 1 1 1 1 1 3621 3136 1 1 1 1 1952 1 1 1 1 1 1 1246 1 1 1 1 191.0974 *191.0976* 191.0976@2.280995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.0976 *191.098* 191.098@2.2683957 1 1 2028 1096 3910 9097 2243 1909 1 1 1 1 1 1 1 1 4335 4008 2961 1 2689 2821 4096 1 2228 1 5444 2129 1 1 1 1 5732 5010 1 1 1 1 1 1 1 1 2080 1006 1 1 1528 2058 4607 3077 1322 1 1 1342 1 2275 1293 1422 1 1278 6955 5196 1781 3275 4871 5402 1 1 1 1 4124 1545 1 1 1741 3337 1 1 1 1 1 4805 1 1 1 1 3493 4360 6727 9036 191.098 *191.105* 191.105@1.7957684 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.105 *191.1067* 191.1067@1.2089757 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 2030 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 1 1531 2477 2202 2062 1 1 1 1 1 3336 1 1 1 1 1846 1623 1 1 1 1 1 1 1 1 1 1 1 1448 1 2378 1 1 1 1 1 1 1 1 1 1 191.1067 *191.1108* 191.1108@1.2089784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1401 1 1 1 4125 1 3413 1 1 5356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2023 1071 1 1 191.1108 *191.1247* 191.1247@1.2158786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.1247 *191.1259* 191.1259@1.189529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 191.1259 *191.1337* C9 H21 N O S 2747 4163 2445 19336 3286 3990 4161 3660 4552 3246 4764 3156 3977 3109 2947 3196 2481 2167 3507 3640 4664 4842 4592 5413 5410 4052 3579 5119 4427 3683 4091 2599 2563 4198 2263 1 2271 2300 2818 3687 2298 3200 3079 2610 1766 2160 5327 4780 2591 1645 5443 5406 6478 5993 4085 5699 4340 3421 4162 2873 3863 3113 2524 2577 3636 4576 3919 2554 2081 1644 2724 2460 2940 2719 158268 155594 3561 3210 5716 6057 2729 3563 4073 3393 3296 3201 3529 5222 3202 3316 191.1337 *191.1381* 191.1381@1.1139278 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 191.1381 *191.1521* 191.1521@4.6103735 3090 1 1 1 1 1 1 1 1 1 1 1 1 1 3722 1 1 1 1 1 1 1 1022 1 1 1233 1 1 1 1 20632 1 1 1 1 1 1 1 1 1 1 1 1 1 18096 1 1 1 1 1 1 1 1 1 1 1 1 4689 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 2650 1 1 1 1 1 191.1521 *191.1522* C9 H21 N O3 52541 54382 55519 55274 56916 56863 46135 45371 55014 55794 37218 39265 44904 47153 64847 60761 49230 46644 50969 51988 43148 42117 43085 43118 40460 40091 110074 113616 101144 100754 30479 48840 61620 61616 43044 41075 49951 51367 43423 44427 54883 53511 94779 97565 68750 71180 47767 48818 49190 45910 48090 47606 46173 43288 50960 51797 67455 64837 66521 65380 41937 40926 56557 58938 59786 59132 54305 53356 46257 49284 67090 66866 34375 34457 41574 43039 61166 58739 59998 61249 46078 45467 52095 50695 42077 41501 36724 34856 47675 48330 191.1522 *191.1522* C9 H21 N O3 + 4.6589885 12967 16044 19243 19508 16718 16475 13509 13232 16270 16031 12522 11753 14478 14126 15593 19571 13523 14427 14274 12863 12842 11880 12900 12431 11844 11712 29711 30241 25872 28151 14276 15142 18902 17776 10966 11669 14175 14929 12552 12046 14351 15443 22964 22689 3962 21625 14740 15106 13881 13932 13724 13663 13421 13376 16023 15184 19819 20436 19042 19004 12731 12693 17901 17446 16545 16294 16087 14864 14694 15252 20652 21901 11117 10951 13133 12696 15997 16303 20935 20502 13557 13145 15500 15737 10092 11391 9706 8706 14536 14081 191.1522 *192.0633* 192.0633@2.04552 2783 2405 1 1054 1 1 3455 3321 1 1 1 1 1092 1340 1 1 1 1 1 1 1 1 1 3658 4516 4477 1 1 2165 2217 3979 3624 1 1 2178 1 7131 7197 1 1 1 1 1 1 3602 3487 3177 1 1 1 1 1 1 1 1 1 2417 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 1 192.0633 *192.0645* 192.0645@2.9620333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4743 1 1 1 1 1 1 1 1 1 24676 25458 1 1 1 1 4412 9731 1 1 12340 11670 1 1 12470 11379 1 4422 1 1 192.0645 *192.0659* 192.0659@2.6641464 4599 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 2997 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2961 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 2816 2104 1 1 2430 1 1 1 2171 1 1 192.0659 *192.0676* 192.0676@2.933188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5031 5927 1 1 1 1 1 1 1 1 2090 6077 1 1 2474 3017 1 1 1 1 1 1 1 1 1 1 5634 1 9078 10384 1 1 7366 7645 1 1 6448 1 2559 1 192.0676 *192.0738* 192.0738@2.795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 192.0738 *192.0763* 192.0763@3.1771674 1 1 1 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 6707 6684 2282 1 1 1 5172 1 2700 1 1 1 1 192.0763 *192.077* 192.077@2.0419075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 1 1 192.077 *192.0817* 192.0817@1.6710159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 125309 131406 1 1 1 1 1 1 1 1 1 1 192.0817 *192.0821* 192.0821@2.112858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 192.0821 *192.0831* 192.0831@2.1464143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2526 1 1 1 1 1 1 1 1 1 1 192.0831 *192.0881* 192.0881@1.6646585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1 1 1637 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 1 192.0881 *192.0894* 192.0894@2.924541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19440 21603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0894 *192.0895* 192.0895@1.8850727 1 1 1 1 1 1 1 1 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 23359 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0895 *192.0897* 192.0897@1.9666648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37557 14024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0897 *192.0898* 192.0898@2.19649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5118391 5066092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265326 264185 1 1 63338 63788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0898 *192.0899* 192.0899@4.3132977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10927 11297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0899 *192.0934* 192.0934@2.96711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 2162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0934 *192.0963* 192.0963@1.1003965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 5695 5335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.0963 *192.1041* 192.1041@1.1034237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 192.1041 *192.1261* 192.1261@1.4846742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1261 *192.1315* 192.1315@5.8086195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1315 *192.1317* 192.1317@1.118382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1844 1 1 1 192.1317 *192.1326* 192.1326@1.3341758 1 1 1 1 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 1 1 1 1 1 1955 1 3371 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1326 *192.1356* C5 H16 N6 O2 5799 3123 1 2351 2953 34099 2105 3069 2646 1957 1 4028 4877 3485 4186 2815 3440 1 28432 29403 1177 3122 1 2352 4115 3132 1 2625 1736 2607 1704 2487 2190 2288 38978 5343 2402 1358 1 1 4507 2855 1794 1307 1 1 1 2457 1 2063 18052 31244 1 1 1 1 1 1954 1976 3041 1 1 1 3545 1956 3864 2672 3754 1394 1 1 1 1 1 1 1 1481 1 3946 3238 1 12948 1 1 13385 1 1 2059 40092 55550 192.1356 *192.1359* C10 H16 N4 39185 37576 31937 32311 37383 1788 38662 39730 34431 34322 26809 26415 23418 41976 41571 40925 30466 29918 1678 1337 38669 43504 21036 20499 45770 1206 31156 33081 39058 37239 14152 13770 33590 21111 1151 1401 28454 17057 28751 29595 14381 15065 25479 25711 22343 21651 10238 24620 22808 20685 294431 253081 16067 16062 25135 25835 14074 15873 39280 1137 10768 10632 24179 23938 24660 25278 23956 15370 13397 14723 9781 9135 12623 11992 12786 12409 16036 18959 34408 54016 11978 1804 13834 14105 1314 12935 13872 14789 414680 410879 192.1359 *192.1361* 192.1361@1.2321881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42127 1 1 1 1 1 1 1 1 1 37692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1361 *192.1426* 192.1426@1.1716561 1 1 1 1 1 1 1508 1 1 1 13450 15078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1426 *192.1487* 192.1487@1.1845373 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4607 5255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1487 *192.9987* 192.9987@4.0426016 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1149 1 1502 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1451 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 1 192.9987 *193.023* 193.023@1.7650818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.023 *193.0479* 193.0479@3.1645799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1236 1 1 1 1 1 1 1599 1499 1 1 1 1 193.0479 *193.0735* 193.0735@3.1775463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13964 16496 1 1 1 1 1 1 1 1 1 1 193.0735 *193.0749* 193.0749@1.1449605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 193.0749 *193.0753* 193.0753@1.4283588 1 1 1 1 1 1 4813 4463 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4295 4117 1 1 1 1 5557 5711 5286 5492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0753 *193.0795* 193.0795@1.1866151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3648 3675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 193.0795 *193.0804* 193.0804@1.4448954 1 1 1 1 1 1 1 1 1 1 3481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 193.0804 *193.0812* C4 H11 N5 O4 43464 42533 45675 45841 41698 42808 43957 44471 42999 47431 44957 43259 43395 42831 46355 40276 44572 43309 40533 45120 43184 44431 42621 36280 40135 40344 42401 42944 38448 40012 44940 45362 48976 48784 42589 42554 39000 39361 46049 47141 44933 44468 43673 45166 43856 45089 40989 42858 33275 36907 50696 53110 47896 47565 52707 51127 48030 49348 41346 36295 69732 69761 55671 54164 65155 64119 60372 60207 49415 48668 63339 66702 51450 48419 56391 58783 61789 62569 62148 57120 65603 66279 62956 63600 64451 61645 63948 68688 62212 55339 193.0812 *193.0815* 193.0815@5.683286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0815 *193.0888* 193.0888@1.2120188 1 1 1 1 1432 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.0888 *193.0913* 193.0913@3.1412745 1 1 1 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 2430 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2609 2523 193.0913 *193.0931* 193.0931@1.2116207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1861 1630 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 1 193.0931 *193.0954* 193.0954@2.5012567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1597 1841 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 1 1 1 1 193.0954 *193.1007* 193.1007@1.2086759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1820 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 2604 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.1007 *193.1095* 193.1095@1.226473 1 1 1 1 1 1 1 1 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 6818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 4127 1 1 1 1 1 1 1 1 1 1 2307 1 24132 1 1 1 1 1 1 1 1 1 1 193.1095 *193.115* 193.115@1.2238079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1295 1 1 1 1 1901 1 1 1 1 1 1 1 1 1 3198 3276 1 1 193.115 *193.1245* 193.1245@1.2483295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 2576 1 1 1 1 1 2174 1384 1 1 1 1 1 1336 1 1 1545 1 1 1 1 2672 1 1 1 1 1 1 1 1 1 1974 2089 1 1 1 1 1 1 1 1 1 1 1 1 2612 1 1 1 2111 1 1 1 1 193.1245 *193.1259* 193.1259@1.2295834 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 1640 1 1 1 3605 2770 1 1 1 1 1 1 1 1539 2898 1 1 1 1 1 1 1 1 1 1730 1351 1 1 1 1774 1 1 2083 1321 1 1 1 1 1 1 2135 1 2623 1999 1446 1 1 1 1 1 193.1259 *193.1342* 193.1342@1.2225813 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.1342 *193.2108* 193.2108@2.1863823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10090 10338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.2108 *193.2109* 193.2109@2.2294254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3898 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 1 193.2109 *193.8679* 193.8679@2.1869588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.8679 *193.9668* 193.9668@2.1848047 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 193.9668 *194.069* 194.069@2.414909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.069 *194.0702* 2-Pyridylacetylglycine 1 2106 1 1 1 1 10164 10199 1 1 1 12690 2572 1 7918 8631 2352 1 4278 13756 1 1 9896 1 1 1 3233 1 6412 5986 1 13214 3082 2756 1944 1 16992 16314 1 1 1 1 6561 1 1 6984 14461 15994 12285 11517 1 1 3365 4998 1 1 1 1 11315 2138 16079 2386 11378 2415 1 1 14475 18139 4070 13344 1905 3068 1 7998 1 1 2496 1 1 1 1 1 1 1 13683 1 1 3177 11133 11062 194.0702 *194.0798* 194.0798@3.25402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91766 91019 1 1 1 1 1 1 1 1 1 1 194.0798 *194.0809* Caffeine 1 1 1 1 791334 856063 278715 275034 729012 792340 463260 469243 1660485 1590491 302598 309719 1 1 255553 248548 319660 304452 569478 545775 1 1 1 1 520199 548200 53397 47170 449323 437428 272066 268685 107358 111257 241853 252336 566530 586639 1 1 316603 329510 1 1 31686 32089 186301 183590 1154589 1236939 279706 280299 452175 459769 491551 497307 121741 112133 1 1 517093 521247 1 1 258639 244696 635897 614817 560203 546593 840152 827395 570412 469381 672692 676713 397354 392799 238127 241744 692387 721193 385334 409317 362899 351454 HMDB01847 C07481 194.0809 *194.0852* 194.0852@1.3467805 1 8282 1 1 1 1 1 1 1 1 1 1 1 18973 38947 33998 1 1 11856 30357 1 33484 1 1 1 1 1 1 1 1 1 1 26502 1 19105 1 1 1 1 1 1 1 8814 9555 1 1 11559 1 1 1 1 1 1 1 11002 37048 1 28416 1 1 1 1 1 1 1 35222 11651 12851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29533 1 1 1 1 1 1 1 194.0852 *194.089* 194.089@1.3257804 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 7506 5831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13143 1 1 19532 22870 1 1 1 1 1 1 1 1 1 13799 1 1 1 1 1 1 1 1 5796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.089 *194.1034* 194.1034@2.4160275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 194.1034 *194.1035* 194.1035@1.4140698 1 1 1 1 1 1 1 1 1 1 1 5802 1 1 1 1 1 1 1 1 1 1 1 1 1 5393 1 1 1 1 1 1 1 1 1 1 1 1 1 4545 1 1 1 1 1 1 1 1 1 1 1 3588 1 1 1 1 1 1 4117 5387 1 1 1 1 1 1 1 1 1 1 1 1 1 3793 1 4451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1035 *194.1062* 194.1062@1.4484657 1 1 1 1 3985 1 8692 4670 1 1 4881 1 1 1 10384 1 1 1 1 7413 1 4796 1 1 1 1 1 1 4041 1 9879 1 5959 4672 1 1 1 1 4853 1 1 1 1 1 1 4227 1 1 1 1 5370 1 1 14723 1 15105 1 1 1 1 6179 1 1 1 1 1 1 1 6762 1 1 1 1 1 3301 1 1 1 1 1 1 2643 4160 1 1 1 1 3277 1 1 194.1062 *194.1065* 194.1065@2.931264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91553 86023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1065 *194.1074* 3-Hydroxy-N-glycyl-2,6-xylidine (3-Hydroxyglycinexylidide) 28059 27302 16205 12807 60840 58373 39284 41870 31790 32331 44906 47885 27721 28005 1 1 26830 26857 22411 26166 26731 29216 38274 37433 18385 16632 38001 37901 40281 38726 34704 32401 30734 29746 49119 49540 58404 61909 52095 55146 25322 26323 38794 31071 17456 15175 40698 42820 50925 50764 49814 55973 51605 57459 52505 57976 28813 28778 22981 1 46284 45211 37190 33259 51530 48905 37693 35794 70114 68438 25741 27819 33594 34188 35413 35068 36574 32970 16950 15546 62327 56519 42059 35602 48143 45623 36229 37168 10032 14245 194.1074 *194.1108* 194.1108@2.9438932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.1108 *194.1109* 194.1109@1.6037291 1 1 1 1 3668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 194.1109 *194.1134* 194.1134@1.5265368 1 1 1 1 4727 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 6501 1 1 1 6852 1 1 1 1 1 1 1 6184 1 1 1 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 1 1 1 1 1 1 9274 4685 1 194.1134 *194.114* 194.114@1.7942345 1 1 1 1 1 1 1 1 1 1 1 4712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45851 1 1 1 1 1 1 37865 19536 194.114 *194.1147* 194.1147@2.8613424 1 1 1 1 1 1 1 1 9809 1 6114 1 8165 1 1 1 1 4370 1 1 2312 1 1 1 1 4791 6973 1 1 1 1 1 1 1 3483 1 1 1 5711 1 1 3913 1 10155 1 1 1 1 1 1 1 1 1 1 8643 1 1 1 1 1 4761 1 1 1 1 1 4455 1 5934 15428 1 1 1 5456 1 1 1 1 1 2202 1 1 1 3798 1 1 1 1 1 1 194.1147 *194.1147* 194.1147@2.9881635 1 1 1 1 1 1 1 1 1 1 1 1 3442 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 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 2248 1 1 1 1 1 1 1 1 1 1 1 30178 2896 1 3257 1 5742 1 1 1 1 1 1 194.1147 *194.1149* 194.1149@0.89098835 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 3506 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2988 1 1 1 1 4642 1 1 1 1 194.1149 *194.1149* 194.1149@0.63841534 1 1 1 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 4898 1 1 9249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5075 1 1 1 2842 1 1 1 1 1 1 1 1 1 194.1149 *194.115* 194.115@3.07588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 194.115 *194.1151* 194.1151@2.1179833 4832 1 1 1 1 1 3396 1 1 1 2750 3869 2840 10075 1774 1 1 4169 1 1 1 3393 1 3470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2379 1 1 1 6600 1 1 5338 1 1 1 1 1 1 3863 1 1 1 1 4177 1 6909 1 1 1 4172 1 3315 1 1 1 1 1 1 1 4789 4082 1 1 4675 8739 1 1 1 1 1 1 1 1 1 1 1 194.1151 *194.1152* C8 H18 O5 213736 196230 155908 159360 173697 176060 141715 139825 143268 149525 182387 182297 123755 135839 156598 151251 348237 354047 166067 161793 206483 212120 129481 131715 201137 209206 176669 162906 196341 199775 195427 195398 105449 107428 119887 119431 164338 165049 203734 208237 150774 149108 178980 176311 207656 187161 125939 118025 179272 179059 72720 114808 133341 132407 147043 143730 208544 206250 199566 195075 195999 205075 189974 187293 156817 155177 143990 143797 173346 177059 126935 126719 147596 141313 144937 147336 155292 167325 1358466 1351791 173927 122231 97710 113908 123288 121735 191111 195714 58224 74136 194.1152 *194.1153* 194.1153@1.2047325 1 1 1 1 1 11145 15599 1 9020 1 12351 13406 1 16827 1 1 1 1 12549 1 12676 1 1 14710 1 1 1 1 4689 1 1 8961 1 13898 12134 1 9493 1 4118 1 8583 1 1 1 1 15131 6259 1 1 4261 20507 11162 1 12380 1 14116 1 12568 6359 1 3837 5234 1 1 1 9555 1 1 1 11335 16392 1 8511 1 24990 1 1 1 12371 1 5836 5517 1 7013 1 8981 13436 1 1 1 194.1153 *194.1155* 194.1155@4.072212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3460 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 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 1 194.1155 *194.1156* 194.1156@3.1969767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6774 1 1 1 1 1 1 194.1156 *194.1156* 194.1156@2.0808222 1 1 1 1 1 1 1 1 1 1 1 1 4614 1 1 1 1 2411 1 1 1 1 1 3783 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2879 1 1 1 1 1 1 1 1 1 1 1 1 194.1156 *194.1169* 194.1169@1.132285 1 1 1 1 1 1 1 1 7123 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7761 1 1 1 1 1 1 8321 1 1 1 1 1 1 1 1 1 1 1 1 3130 1 1 1 1 194.1169 *194.1176* 194.1176@1.1117868 1 1 1 1 1 8681 1 1 1 1 1 10385 1 5756 1 1 1 1 8829 1 1 1 1 5553 1 1 1 1 1 1 1 9676 9330 4299 1 1 1 1 1934 1 9181 1 1 1 1 1 1 1 1 1 1 1 4854 9407 1 1 1 12031 1 1 13408 1 1 1 15017 1 1 1 1 1 1 1 2379 1 2320 1 1 1 15163 1 1 1 1 11856 1 6008 4529 1 1 1 194.1176 *194.196* 194.196@1.2845331 1 1 1 1 1 1 4364 4306 1 1 8918 8309 1 1 5576 5879 1 1 3517 1 5970 5818 1 12112 1 1 1 1 11719 10876 1 1 8938 8301 1 3972 1 1 3888 1 1 1 1 1 6308 6048 1 1 1 1 1 1 2713 1 4829 4913 9671 9750 9806 10724 1 1 1 1 10717 11406 1 1 1 4175 1 1 11821 11714 1 1 1 13529 1 1 7234 7432 3818 1 1 1 6555 6084 6517 5786 194.196 *194.2338* 194.2338@1.7838548 1319 1493 1 1 1 1 1 1 1 1 1 1522 1 1 1 1 3797 2990 1114 1 1 1 1 1 1 1 1 1 1735 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1161 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.2338 *194.2434* 194.2434@1.2828914 1 1 1 1 1 1 1470 1488 1 1 1 1 1 1 1 1972 1 1 1 1371 1755 1 1 1 1 1 1 1 1 1 1 1 1 2789 1 1113 1 1 1 1 1 1 1 1 1581 1954 1 1 1 1 1 1 1 1 1667 1 1 1 1 3223 1 1 1 1 1 3452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2144 2348 1 1135 1 1 1 1 1 1 194.2434 *194.8967* 194.8967@1.2868594 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.8967 *194.9057* 194.9057@1.2876756 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.9057 *194.9574* 194.9574@1.2848598 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.9574 *195.0857* 195.0857@1.3659838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3299 1 1 1 1 1 1 1 1 1 3472 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 3745 195.0857 *195.0884* 195.0884@1.3673096 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 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 1 1 1 1 2591 1 1 1 1649 1 1 195.0884 *195.0893* 195.0893@1.9670818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1738 1 1 1 1 1 1 1 195.0893 *195.0915* 195.0915@1.5433998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 2682 2618 1 1 1 1 1 1 1 1 1 1 1 1 2282 2604 1 2987 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 1887 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3456 3644 1 1 195.0915 *195.0954* 195.0954@1.5436848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3423 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 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 1973 3338 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 195.0954 *195.0961* 195.0961@2.5050805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0961 *195.0963* 195.0963@1.2763193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.0963 *195.0966* 195.0966@1.9165218 1 1 1 1 1 1 4278 3005 1 1 1 1 3444 1 1 1 3338 3408 1 1 1757 1456 1 1 1 1 1 3121 1 1 1 1 1 1 1 1 11617 5455 1 1 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 3358 2531 5214 5187 1564 2627 1682 1 1 1 1 1 1 1 1 3182 4303 1698 4433 1 1 1 1 1 195.0966 *195.0983* 195.0983@1.9230781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 195.0983 *195.1* 195.1@1.8943385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 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 3665 3368 1 2366 1 1 1 1 1 1 1 1 1 1 1 1788 1 1 1 1 195.1 *195.1007* 195.1007@1.5656085 1 1 1 1 1 1 1 1 1 1 1 1 2934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1007 *195.1011* 195.1011@1.5049908 1 1 1 1 1 1 1 1 1 1 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 2360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 3676 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 195.1011 *195.1084* 195.1084@1.2175276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1084 *195.1103* 195.1103@1.7323475 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 2173 1 1 1 1 1 1 1 1 5948 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3339 1 1 1 1323 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 195.1103 *195.1107* 195.1107@2.1567678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1107 *195.1107* 195.1107@1.7733024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3329 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1755 1 1 1 195.1107 *195.1131* 195.1131@1.212494 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 1 1 4455 1 1 1 1 1 1 1 1 1 1 1 4013 6034 1 1 1 1 1 1 1 1 1 1 1 1 195.1131 *195.1158* 195.1158@1.8465543 3537 1 1870 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 1940 1 1 1 1 1 1 1 1 2428 2148 1 1 1 1 1 1 1 1 1 1 2792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2895 1 1 1 1 1 1 1 1 1 1 1 1670 195.1158 *195.1165* 195.1165@1.2115715 1 1 1 1 1 1 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 2379 1 1 1 1 1 2759 1 1 2849 1 1 1 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 1 1 1 1 195.1165 *195.121* 195.121@2.8466234 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.121 *195.1264* 195.1264@1.2181599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 2363 1 1 1409 1 1 1 1 1 1 1 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 2544 1 1 1 1 1 195.1264 *195.1299* 195.1299@1.2314026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 195.1299 *195.1315* 195.1315@1.2302201 1 1 1 1 1324 1 1 1 1 1508 1 1220 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1885 1 1 1 1 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2092 1967 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 1580 1 1 1 1 1 1 1 195.1315 *195.1382* 195.1382@1.2338545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 195.1382 *195.1423* 195.1423@1.2320938 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1423 *195.1592* 195.1592@4.7694407 1 1339 2259 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 1480 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.1592 *195.2017* 195.2017@1.2876756 1 1 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 1 195.2017 *195.9741* 195.9741@0.7548245 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9741 *195.9799* 195.9799@0.7578989 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.9799 *196.0836* 196.0836@3.1865416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2489 1 1 1 1 1 1 1 1 1 1 196.0836 *196.0855* 196.0855@3.267031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2586 1 1 1 1 1 1 1 1 1 1 1 196.0855 *196.0889* 196.0889@2.0788815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 196.0889 *196.1076* 196.1076@1.482 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 196.1076 *196.1094* 196.1094@1.561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 196.1094 *196.1155* 196.1155@1.3004816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10328 11870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1155 *196.1163* 196.1163@1.5332682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1163 *196.1179* 196.1179@2.9022264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3449 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 1 196.1179 *196.1189* 196.1189@1.8100699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 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 1652 1 1 1 1 1 1 1 1 1 1 1 196.1189 *196.12* C6 H12 N8 1 1499 2434 1927 28805 1484 19314 2842 24019 21201 10100 17740 12102 10157 1 16676 19833 20125 2519 28912 1 12889 1 1 1 1037 1 1 1 1 1 24177 12689 2530 20931 22964 1 1 1 42524 21870 21627 13572 14032 1 1 1 1 6992 1346 1691 1801 1627 2017 1 1 2533 2813 6951 2099 24057 23315 8918 1 1 15322 1 1 1 33631 11999 13333 19681 21290 33880 1 1 23342 11806 12589 1 1 2142 17393 14202 16575 15288 2373 1 2303 196.12 *196.12* 196.12@1.5677829 1 1 1 1 4290 2946 1 1012 1 1823 1630 1 1 2297 1 1 1 1 2122 2959 1 1 1 1 1 1 1 1 1 1 5189 1 1417 1 2586 1 1 1 1 1 1 1287 1 1 1094 1 1 1 1 1 1 1 2541 2628 1 1 1 1 1 1 2973 1 1 1 1 1652 10880 2140 1 1 1 1 1 1257 3766 1 1 1 1 1 1 1 5787 1 4673 1 1 1088 1 1 196.12 *196.1204* 196.1204@1.4337119 4565 4566 9160 6879 15385 16230 7999 1508 8893 6876 1039 1060 10092 13056 13923 2140 3077 4489 1231 8391 10677 2639 19135 3566 10894 8805 5210 5223 4416 11553 17172 15653 7431 7211 10538 7401 3952 3280 13162 7079 8327 9073 1456 3929 4853 9052 4199 19143 1054 8310 5376 5943 11434 1369 3587 4092 4704 6946 2470 3239 1427 10416 1975 8828 10806 13060 3788 8082 20018 23931 4248 6149 4721 8148 16942 17832 8750 12025 7923 6001 11802 14677 1155 4693 21752 16969 3827 4943 5320 5043 196.1204 *196.1208* C10 H16 N2 O2 19620 17700 1 1 1 25852 1 18611 1 1 14613 10535 1 1351 1 1324 1 1 28703 1 1 1 1 15936 1 1 27846 32115 11092 3981 27038 5048 1 15469 1 1 13931 14776 40495 1 1 1 1 1 10395 2509 48005 48183 28424 27845 25504 24404 1 9092 13228 15305 9531 5455 1 6113 11868 1 1 1 14076 1 21008 20371 30849 1 1 1 1 1 1 34955 24646 1 1 1 26073 28893 17712 1 1 1 1 13800 14284 12276 196.1208 *196.1213* 196.1213@1.4531307 1 1 1 1 1 1 1 9379 1 1 1 1 1 1 1 1 1 1 5995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1213 *196.1279* 196.1279@1.2140775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2292 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 196.1279 *196.1312* 196.1312@8.471873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 196.1312 *196.1348* 196.1348@1.1932583 1 1 1 1 2635 2144 1 1 1 1 1 1 1919 3616 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 1 1 1 1 1 1 2213 1960 1 1 2005 1 1992 1 1 1 1 1 2139 2059 1 1 1296 1759 1718 2461 1 1 1 1 1 1 1 2832 1 1 1 1 1 1 1 1 1 1 196.1348 *196.1411* 196.1411@1.0862043 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 1654 2676 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1155 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 1678 1 1 1 1 1075 1 1 1 1 1 1 196.1411 *196.1418* 196.1418@1.2041006 1 1 1 1 1 1 2036 3047 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 1 1 1 1 1 1 1 1 1 3311 1 1 1 1 1 1 1 1 1601 1 2561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4052 1 1 1 1 1 1600 1 1 1 1 1 196.1418 *196.1448* 196.1448@1.0817473 1 1 1721 1 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 2861 2584 1 1 1 1 1 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 1 1 196.1448 *196.1454* 4-dodecynoic acid 16418 1600 30944 25603 1 1 1 1 1 2362 77066 74930 1 1 2429 11058 1 1 1 1 1 10623 16888 2718 31235 1 84082 85813 2462 1 1138 2606 19701 18137 27306 27225 66207 69497 1 1 3842 24009 20011 16297 147481 144266 12947 16690 1 9787 15634 13091 1 1 38326 36563 1 1 1 1 1 1 13132 1 1 1 14349 12248 1 1621 1 1 1 1 1 1 1 1 1 1 17400 2854 1 26797 1 1 24903 1 1 1 196.1454 *196.1564* 196.1564@4.3494425 1 1 2555 2255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1376 1 1 1 1 1507 1425 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1576 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1063 1778 1877 1 1 1 1 1 1 1043 1064 1 1 1 1 1 1 1 1 1 1 196.1564 *197.0243* 197.0243@3.5672624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0243 *197.0316* 197.0316@1.4607364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0316 *197.0453* 197.0453@6.561007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1036 1 1 2219 2124 1 1 197.0453 *197.0464* 197.0464@1.2345436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0464 *197.0509* 197.0509@1.3002768 1 1 10111 10849 1 1 1 1 1 1 1 1 4716 3792 1 1 17551 17482 1 1 6547 6644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4189 3973 1 1 1 1 5465 5721 1 1 1 1 9883 9344 1 1 33117 35178 1 1 1 1 1 1 1 1 1 1 4785 4599 1 1 1 1 1 1 1 1 8124 8004 1 1 1 1 1 1 3792 3515 197.0509 *197.0514* 197.0514@0.8108452 1 1 1 1 1 1 2587 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0514 *197.0535* 197.0535@1.5471613 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0535 *197.0659* 197.0659@1.5829939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0659 *197.0694* L-DOPA + 1.5934027 1 1 1 1203 1 7743 2439 13212 2039 2100 1 1 3194 16701 2504 1 6899 1 2265 2177 5191 1 1982 2261 1 5605 7110 1 10795 1948 1836 2424 1 1045 2138 1971 3081 17480 17953 17777 1 1 1838 9051 11150 11426 2844 3688 5426 1 1264 5607 2755 1 5914 1 1276 1 10610 1 2966 2621 1 5849 1 1639 1679 2237 3328 1 15786 16513 1412 1679 1 1432 2768 2642 6204 6393 12204 2396 6375 6746 2758 2493 1 1 9961 12757 HMDB00181 C00355 197.0694 *197.0744* 197.0744@2.182147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0744 *197.0766* 197.0766@1.5951012 1 1 1 1 1285 1 1 1 1 1 1363 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1536 1 1 1 1 1777 1 1 1 1 1 1 1 1570 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 3341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0766 *197.0798* 197.0798@7.2312346 1 1 1 1 1 1 1 1 1 1 1 1 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 1560 1 1 1 1 1 1 1 1 1 1 1 1 1438 1803 2043 1914 1 1 1 1 1 1 2153 2194 1 1 1 1 1 1 1 1060 1787 2053 1 1 1 1 2388 2801 3082 3297 5757 5612 1924 2283 1905 1517 2200 1855 2405 2337 197.0798 *197.0838* 197.0838@2.2079823 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 1 1 1 1 1 1 1 1 1 1 1 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0838 *197.0899* 197.0899@2.3927827 53404 1 1 46922 5505 1 1 1 1 58263 57212 56317 37834 52084 10150 39556 1 69959 20998 1 1 76951 55710 1 1 63426 73891 20783 36785 1 1 1 1 22732 48811 2902 49888 58967 36313 1 1 72963 1 71033 48875 24200 57974 75496 45266 27492 28715 1 1 1 1 1 1 61253 55354 66298 1 1 48357 1 1 16407 26339 1 48060 1 1 1 1 1 1 1 1 89420 1 1 68859 1 1 1 82891 1 1 1 85585 1 197.0899 *197.0901* C6 H15 N O6 76415 97731 115959 286930 153822 136596 696420 125046 122816 240253 374560 113304 92726 65199 262015 133813 96709 112573 103318 143727 585862 571618 75312 87051 247548 200901 662413 373058 148880 1 115934 86736 99934 574932 161262 112688 231536 108619 117287 136594 114553 100000 784726 93535 90888 113726 139026 1 110887 110781 263435 1 392107 1 255858 109785 62008 242389 152750 329470 1 1 145726 72738 1 1 56924 1 126063 214911 255261 89167 149873 156611 29722 122931 127788 1 1 2413 128223 1 1 1 1 1098 1 1 181663 428893 197.0901 *197.0905* 197.0905@2.6177905 1 1 1 548006 32321 1 1 979803 1 1 1 954447 613823 900824 487001 1 1 916950 644760 542075 633734 1004029 643317 1 917117 1 697901 1 787129 1 1 1 1 1 900725 76203 784640 1 1 707725 1 1064954 678424 1 1 546004 6986 1 334218 1005851 19890 1 1287089 1 1058860 840468 1186011 1 714561 1 1 1 1 1 1 30380 1 1 823619 1 1 1 1194666 1 1089863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290125 197.0905 *197.0905* C6 H15 N O6 + 2.7799056 1 455176 1 240908 490450 582498 1 603894 493951 371177 1 1 495083 559990 308385 448250 1 569580 550271 473162 1 1 545142 546452 512913 1 1 1 1 1 545491 628344 501061 1 641175 620626 1 496699 575325 495627 534382 541512 1 1 595283 609386 706778 1 511322 460673 1 1 1 1 227033 509099 580150 383160 489284 53943 1 1 440717 1 1 1 1 1 608200 515663 1 708562 547718 280567 276338 1 677089 1 1 1 1 1 1 1 1 1 1 1 608721 1 197.0905 *197.0906* 197.0906@2.7102227 1 1 1 256828 702466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017912 1 1 1 1 1 1 1 1 1 1 1 1 212267 1 1273179 1 1 1 277451 1 1 1 1 445937 1 1 1 1 1 1991219 1 1 341049 1 1 1 1 1 459232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.0906 *197.0912* 197.0912@2.039514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 2068 3433 1 1 1 1 1 1415 1 1 1 1 197.0912 *197.0978* 197.0978@1.2430922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 197.0978 *197.1151* 197.1151@1.5445611 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 197.1151 *197.1166* C9 H15 N3 O2 1897 2329 2388 2235 3058 1872 2154 2175 2049 1853 1 3005 2564 2858 1667 2161 1 1 1 3826 1 1 2004 1983 2245 1696 2269 2560 2169 2998 2039 2078 1 1 3623 3243 2038 1 2849 2656 1 1 1 2896 2239 2261 2375 3221 1542 1 2440 2717 1718 1689 1 1652 1755 1 1 1 2880 3642 2426 2037 3624 2512 2879 2184 2326 2636 5502 6027 1 2171 2429 3044 8182 8088 2768 3935 2560 4015 3622 4107 4516 4420 7247 7334 3421 3049 197.1166 *197.121* 197.121@1.3946447 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.121 *197.1356* 197.1356@1.359038 1 1 1 1 1 1367 1 1 1 1 1 1 1326 1 1 1 1 1 1 1 1 1 1 1 1 1818 1 1 3014 4447 1 1 3207 1 1 1 1 1 1 1 1652 2194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1615 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 2865 1 1 1673 1 1 1 1 1260 1 1 197.1356 *197.1383* 197.1383@1.3739333 1 1 1 2101 1 1 1 2304 1 1 1529 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 2420 1 1 1 1 1 3422 1 1 2072 2504 1 1 1 1 1 1 6609 3235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1383 *197.1513* 197.1513@1.2514526 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1513 *197.1615* 197.1615@1.2593801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1615 *197.1736* 197.1736@1.2432991 1 1 1 1 2494 1 1 1 1 1 1 4111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6120 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 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1736 *197.177* C12 H23 N O + 1.1949881 32498 32336 27508 26054 29120 23245 30476 31012 30366 30813 31934 23790 33348 33601 39733 39827 17874 19646 29123 30246 40237 41592 3718 45018 42765 39310 39514 43957 43624 45327 30835 28480 34764 33253 25129 25698 28432 29064 30226 29422 31164 28539 34511 40736 34362 35242 23678 24045 22801 24192 39708 41711 50094 48929 40389 40983 38086 39746 34874 34977 13066 13302 24285 23831 28378 27767 20785 20161 26501 18616 23986 15711 25213 25889 28237 34167 17434 23159 20544 21036 19781 19517 28873 31083 26149 31282 22321 27118 15409 14587 197.177 *197.1772* C12 H23 N O 6470 6899 6672 6991 6703 6683 6689 6727 6417 7238 7398 5854 6939 6596 6794 6731 6476 11210 6628 6789 6570 6548 7932 10842 6522 5791 7050 8349 6489 7191 7469 7066 6075 6433 9986 7042 6673 6902 7387 7094 7006 7179 6735 6586 5576 6868 5834 8477 8500 6238 6978 6650 6936 6784 6829 16952 5873 5548 6737 18785 5264 5370 6116 6307 7184 5789 6119 6085 5758 5909 8238 14745 6099 6333 6001 5778 5351 5626 6622 6081 6311 6539 7788 7086 5888 5676 6606 6645 6357 7034 197.1772 *197.1772* 197.1772@1.1688209 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1 1 1 1 1 42857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.1772 *197.2071* 197.2071@2.8074014 13776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10717 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 197.2071 *197.2074* 197.2074@2.7252975 11213 1 1 11787 1 1 1 1 1 1 14147 1 13190 1 10311 1 1 1 1 8924 1 11426 14001 1 22145 1 1 15184 1 1 1 1 1 1 1 1 1 16775 1 1 1 15719 16688 1 14874 1 16817 1 1 16171 21647 1 1 1 1 1 14271 1 9689 12198 1 1 1 1 1 7009 1 1 17090 27832 1 21074 1 23600 1 1 20049 19104 18039 1 1942 1265 19726 1 1 1 1 1 1 1 197.2074 *197.2075* 197.2075@2.7365124 4102 10289 12683 11481 15089 15150 36590 1 11383 13494 5694 37469 12648 13041 11387 10953 1 31998 14989 12096 14068 13509 12371 12571 16977 6324 15425 23606 14918 33075 1 17226 12141 1 17424 15687 1 21514 10025 13851 14739 10593 15467 15393 26189 38460 7752 44053 1384 13333 25063 1 47810 9872 11244 20069 21273 14887 12666 13629 18075 1 11293 1 1 15476 49810 47144 19964 16058 57941 31792 20818 5873 10677 17080 36062 36446 15135 45758 18777 23615 20231 54101 51845 19341 51455 50827 18459 23995 197.2075 *197.2075* 197.2075@2.728695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 197.2075 *198.056* 198.056@3.5889754 1 1 1 1 1 1 1 1 3031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 4783 1 1 1819 1723 1 1 1 1 3606 1 1 1 1 1 1 1 1540 2068 1 1 1 1 1 1 17988 17556 1 1 1 1 198.056 *198.0564* 198.0564@3.7705214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6697 1 1 1 1 198.0564 *198.0597* 198.0597@1.1928067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 198.0597 *198.0759* C7 H10 N4 O3 1 1 1 1 12390 11457 12124 11538 7979 7582 26536 29324 7205 8121 4275 1 1 1 8283 9676 4488 4230 1 2835 1 1 1 1 2603 4015 8276 3959 11161 12091 7287 3796 1 1962 6146 6562 7990 11025 1 1 1 1 1 1 1673 1810 1 1 13326 12715 1 1 7805 8307 1 1 39277 39745 1 1 38999 40656 9550 12413 33338 38122 42332 42421 10811 8746 27267 25752 55564 55355 9233 9317 13814 7854 6766 7132 78244 99710 27591 38637 3813 4323 198.0759 *198.0762* 198.0762@2.1900525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16184 18007 1 1 1 1 1 1 1 48922 1 1 1 1 83854 1 1 1 1 12765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8948 198.0762 *198.0779* 198.0779@2.304745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0779 *198.0811* 198.0811@2.9576707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2930 2798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0811 *198.0814* 198.0814@2.1555333 1 1 1 1 1 1 1 1 29360 24892 1 1 1 1 8714 1 1 23145 1 57829 1 1 1 1 1 1 32935 1 1 1 1 35862 1 1 1 1 3877 23658 1 1 1 1 1 1 1 1 1 48580 15693 14272 1736 1203 1 1 1 1 1 1 1 1 1 1 1 4736 1 1 1 1 1 16957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5831 198.0814 *198.0822* 198.0822@2.1508584 1 1 1 1 1 1 25482 21047 15837 1 1507 1 1 1 1 1 1 1 16414 19068 3654 1 1 1 1 2710 1 1 1 1 1 1 1 3730 1 1 2698 1 1 1 15810 1 1 1 1298 1 1 19572 5099 5592 1 2185 1 1 1 1 1 1 1 1 1 1 6330 1582 1 1 35103 33336 1 1 1 1 1 1 1 1 23277 13012 1 1 4566 5828 1 1 6218 7068 1 1 1 1 198.0822 *198.0854* 198.0854@2.1654658 1 1 1 1 1 1 1 15466 1 1 3034 8030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14456 1 1 1559 5150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8538 1 1 1 198.0854 *198.0888* 198.0888@2.216053 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 5980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20636 1 1 1 1 1 1 1 5382 1 1 1 1 1 1 1 1 1 1 1 7685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0888 *198.0895* 198.0895@1.1960746 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0895 *198.092* 198.092@2.1076608 1 1 1 1 1 1 11325 1 1 10023 18553 12009 2788 1 1 1 1 1 1 1 1786 1 2907 5294 1 1 1 1 1 1 1 1 17872 17470 1673 8063 1 1 7058 1 14811 7885 1 1 4085 2501 1 1 1 1 1 1 12766 17571 1 1 7006 5843 1 1 15786 13953 1 1660 1 1 11706 13029 1 44898 1 1 9490 8274 9229 7417 1 5186 1642 1 1 1 1 1 9989 4412 6582 4166 1 1 198.092 *198.0928* 198.0928@2.1365073 5538 4367 1 1 1 1 1 1 1 1 1 17627 11072 9586 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1119 1580 1 1 18841 15285 8362 7318 1 1 1 1 1 4716 2574 1677 1 1 1 1 1 1 1 1 1 15044 1 1 10528 9717 7746 4562 1 1 1146 1 1 11877 1 1 1 1 1 15294 1 1 8263 11206 1 1 7663 1 1 1 1 1 1 1 1 1 1 1 198.0928 *198.0933* C8 H14 N4 S 18482 1413 34779 57390 1 37298 29272 1 36083 33701 43795 1 1 1 1 28529 38521 1 1 1 2758 1 1 25838 1 127000 1 30451 1 1 52315 44809 35074 39064 1 1 1 32034 46660 35345 31595 1 75825 52556 41384 1 33916 59304 1 1 1 3070 1 59717 1 1 1 32667 1 34365 1 57247 1596 1 41356 1 1 1 1 55587 1 1 1 1 45372 1 1 1 1 23563 1 24266 4555 1 1 1 46041 1 49682 1 198.0933 *198.0933* 198.0933@2.6205864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19909 1 1 1 1 1 1 1 198.0933 *198.0935* 198.0935@2.7872822 1 1 42658 1 1 1 16242 1 11829 1 1 42885 1 1 1 1 27706 1 1 1 1 53172 1 1 1 1 1 1 1 1 1 1 1 1 30407 1 50588 1 1 1 1 1 1 41591 1 1 1 35237 1 1 1 57523 1 35899 1 1 1 1 1 1 1 53740 16562 1 19384 1 1 1 1 1 46586 1 1 1 1 1 1 49438 1 8971 1 49898 54196 1 1 1 54006 1 1 1 198.0935 *198.0952* 198.0952@2.1690383 1 1 3204 3862 6817 1 1 1 1 1 1 1 1 9964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20553 19625 1 1 1 1 1 14783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0952 *198.0978* 198.0978@2.0701373 5039 5181 4655 7131 9413 10143 1 1 1 1 1 1 8754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 2724 1 1 1 1 1 1 1 1 1 1 1 1 3907 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6333 6609 1 1 1 1 25414 17165 1 1 1 1 6197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.0978 *198.1003* C9 H14 N2 O3 4047 3925 1 1 13484 7764 2897 2909 1 1 3899 3508 2798 4645 5181 4325 3549 3854 5949 9424 52259 52077 1 1226 1639 3098 17272 11546 1 1 29496 24459 13228 21954 2847 3295 9136 7328 8439 8727 6653 6039 3008 1673 8155 10165 7915 10370 12913 14115 4951 3316 3155 4584 4366 4206 4345 3914 1 1 26296 17235 7455 7225 6614 10779 124222 117475 9790 11196 6695 5527 1766 2484 4948 6201 1830 1 2517 1376 3720 5981 1 4940 19006 21144 6060 6451 12539 8276 198.1003 *198.1003* 198.1003@1.6296493 1 1 1 1 2778 1 1 1 1 1 5016 4766 1 1 1 2116 1 1 1 1191 1 1 1544 1 1 1 1 6367 1 1 7792 9999 6273 1 2747 2350 2381 1 3690 1 2042 1731 1741 1 1 1 1982 1 1 1 1 1 3740 1 1 1820 2326 1 1 1 1 4346 2747 1 1 1 1 1 3463 4260 1 1275 1 1 1 1 1 2003 10429 3455 1042 2739 1 1 1 4962 2848 3678 1 4596 198.1003 *198.1025* 198.1025@1.6486553 1 1 1 1 1 3539 1 1 1 1 1 1 2249 1 1 1 1112 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3527 1 1651 1 1 3404 1 4643 5185 1 1 1 1 1 1 2612 2878 1 1 1 2244 1 2312 4000 1 1 1 1 1 1 3043 2004 1 1 1 1898 1 1 1 1 1 1 1 1 1 2496 1 1 1 198.1025 *198.1033* 198.1033@1.639919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2377 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1033 *198.1063* 198.1063@1.6560903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3887 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 1 198.1063 *198.1111* 198.1111@1.6676751 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1111 *198.112* 198.112@4.9391317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1 1 1 1 1 1 1 1 1 1 1 198.112 *198.1198* 198.1198@1.6814336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2748 3572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 198.1198 *198.123* 198.123@1.3839103 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.123 *198.127* 198.127@1.2733288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1568 1 1 1 1 1 1 1 1 198.127 *198.1289* 198.1289@2.8803968 1 1 1 1 1 1 1 1 1 1 1 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 1644 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3310 3414 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 1 198.1289 *198.1328* 198.1328@2.8889766 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 198.1328 *198.133* 198.133@1.7267492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2511 2273 1 1 1 1 2162 2018 2039 1727 1 1 1 1 1 1 1 1 1 1 1 1 1489 1507 6293 8153 1 1 1 1 1 1 1 1 1 1 1 1 4119 1 4826 4244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 1 1 1 198.133 *198.1337* 198.1337@1.727153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1337 *198.1355* 198.1355@1.7449251 1 1 1245 1 1 1 1 1 2476 1 1 1 1 1 1 1 1 1957 1 1 5123 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 2222 1 1 1 8852 1 1 2142 3098 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 7178 1 1 1 1 1 1 1 1 1 2990 1725 1 198.1355 *198.136* 198.136@1.2615509 1 1 1 1 1968 3338 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 2252 1 1 1 1101 2582 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 1 1 1577 2015 1 1 1 1 1806 1 1 1 2521 1335 1 1 1 1 198.136 *198.1401* 198.1401@1.2231631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1401 *198.1479* 198.1479@1.2110823 1 1 1 1 1 11173 1 1 1760 1084 1 1 7003 1 1 1 1128 1 1228 14567 1 1 1145 1 1 1 1 1 1 1053 1 1 1545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 4316 5172 2540 2430 1 1 1 1 1 1 1 1106 1 1 1 5293 1 1 1 1 1 1 1 1 1 1 1 4286 1 1 1050 1 1 1 3879 1 1 1 1 5409 2262 1 198.1479 *198.1494* 198.1494@7.1309266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1646 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1494 *198.1521* 198.1521@1.216771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1521 *198.1593* 198.1593@1.0713537 1371 1 1156 1 1334 1 2021 2112 1 2038 1204 1 1760 1 1 1 1 1 1 1 2202 1612 2403 2176 1 1396 1 1612 1 1656 1703 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1107 1 1 1 1631 1 2371 1059 1 1 1 1 1 1533 1623 1 1 1319 1 1151 1 1288 1490 1 1090 1 1 1 1 1 1238 11441 5569 1 1 1532 1422 1 1 1 1270 1 1 198.1593 *198.1622* 198.1622@1.1770139 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 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 198.1622 *198.1681* 198.1681@1.1963294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3726 1 1 1 198.1681 *198.1684* 198.1684@1.1462555 1 1 1 1 1 1 1 1 1 1 1 5419 1 1 1 1 1 1 1 1 1 1 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 1095 2954 1 1 1 1 1 1 1 1 1 198.1684 *198.1764* 198.1764@1.1884496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1 1 198.1764 *198.1788* 198.1788@1.1027292 2339 1 3472 2993 2550 2477 2158 2322 2746 1733 2926 2393 2090 2854 2833 2961 2780 1 2714 3009 2154 2337 1 1 2185 1682 4463 1 2306 2203 2393 2338 2727 2192 1 3216 2640 2520 1 2621 2096 2964 2440 1 2082 1 2622 1 1 2473 2738 1 1 1875 2288 2517 2432 1 2504 2437 1 1723 2580 1 1 2426 1 2651 1 2516 1 2456 1 2731 2088 2663 2903 1867 2461 2633 1 2831 2819 3084 2240 1 2614 2189 2686 2490 198.1788 *198.1812* 198.1812@1.1022949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2528 1 2143 1 1 1 1 1 1 1 1 1 1 1 1706 1 1 1 1 1 2226 1 1 3562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2735 1 1 1 1 198.1812 *199.0725* 199.0725@4.268061 1 1 2157 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1533 1 1 1 1 1 1 1 1 199.0725 *199.0796* 199.0796@2.1964042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 6943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0796 *199.0827* 199.0827@2.1208994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 3923 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0827 *199.0858* 199.0858@3.1931808 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0858 *199.0864* 199.0864@3.072467 1 1 1 1 1 1311 1 1 3338 2370 1 1 1 1 1 1 1 1 1 3950 1 1 1 1 1 1 1 1 1 1 1602 1 1730 2273 1 1 1 1 2142 2210 2704 1 1 1 1975 1 1 1611 1 1 2453 3229 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1 2362 2783 1 1 1 1 1 1 1 1 7962 11418 11982 12915 8719 6474 1 1 1 1 1 1864 199.0864 *199.0865* 199.0865@3.9846516 1845 1 1 1963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 1072 1 1 1 1575 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0865 *199.0867* C9 H14 Cl N3 5182 1 1 1 6128 5262 5123 5640 6410 3528 3396 1 1 1 1344 7585 6903 2014 1 6847 2168 2003 2242 6796 1519 2709 1 6433 5097 1 2548 1099 1410 1 1 1 1 1 5929 3441 2356 1827 1 1262 1 1139 1 1 6978 1 4443 1724 3984 1 1 1 1 1572 1 1 4462 1722 1361 1 4176 1428 1667 1 1766 1982 1 2026 1 1 4104 2856 3949 6657 2382 7205 1826 2276 1142 1735 1 1 1503 1547 1 5540 199.0867 *199.0867* 199.0867@0.6656954 1 1 1 1 1728 1 1 2306 1 1 1 1 1 1 1577 1 1 4861 1 1 1 1 2611 1 1756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2259 5425 1 1 1 1 1 1 1 1 1 1 3235 1 1 1 1 1 1 2001 1 1 1 1 1 1 199.0867 *199.0869* 199.0869@0.8939864 1255 1 1 1 3588 1 1 1602 1892 1 1 1 1 1 3278 1 4333 1 1 1 1 1 2934 2048 1 1 1 3187 1 1303 1 1 1 1 1 1 1 3647 1 3611 1 1 1 1 1 1 1 1901 1 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 2027 1 1 1079 1 1 1 1 1 1 1 1468 1839 1 5359 1 1980 1 1253 1 1 1 1 1 1337 199.0869 *199.0871* 199.0871@3.8897333 3262 4277 1 1622 1059 2269 1 1 1 2681 2643 1 1976 2251 1 1 1 1120 1 2014 1 1 5238 4076 6425 2525 2764 2603 1 2241 1233 2057 1 1 1167 1 4622 1 1945 1 1 5107 1 3129 3861 1 1012 1 1239 1908 4671 4464 1119 5923 2958 2686 1 1 3112 4950 1 1 1458 3010 1 1 1 1 1 1 6186 1 4730 1 1672 3220 1520 1 1 1721 2516 3469 1 1 1 1 1346 1 3893 2517 199.0871 *199.0872* 199.0872@0.86918306 1 1 1 1 1 1 1 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 2048 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2358 199.0872 *199.0874* 199.0874@3.26472 1 1 1 1 1 1 1 1 1 1531 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0874 *199.0875* 199.0875@3.9573228 3856 1 2220 3781 1 1864 1732 1 1 1665 1 2056 2375 1 1 3522 1 1 1 4571 5606 1 1 1349 1 1 2946 1 1 2576 1 2907 1 3712 3672 6188 2059 4387 1976 5917 1186 1 1 1 2412 6182 1 1 2865 3459 1570 1062 1262 1 2033 3152 1 1 2389 1 1 1 1 2192 1 3148 1769 1 1 1 1 5243 2013 1 3321 3049 1 1 1233 2837 2299 1 6011 1 1 5765 4429 1 1 2596 199.0875 *199.0887* 199.0887@2.1399503 1 1 1 1 1 1 1 1 1 1720 1 1 1 1 1 1 1 1 1 3668 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 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 1738 1 6273 6735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0887 *199.0901* 199.0901@2.0845454 2965 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 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 3971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1184 5141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.0901 *199.0933* 199.0933@3.3831995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2201 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 199.0933 *199.0948* 199.0948@2.7934034 1 1 1 1 1 1 1 1 1 1 11504 1 1 1 1 1 1 1 1 1 6373 9495 1 2285 1 1 1 1 1 5631 1 1 1 1 10492 1 1 1 1 1 1 1 10266 1 1 1 1 1 1 1 1 1 1210 2482 1 1 1 1 1 1 1 1378 1 6802 1 1328 1 1 1 1 2811 1 1 1 1 1 1 1 7536 1 1 1 1 1 1 1 1 13489 1 9242 199.0948 *199.0949* 199.0949@2.642238 1 1 3256 1 1 1 1 1 1 1 1 1 12712 1 1 1 1 1 1 1 7733 8622 1 8683 1 1 1 1 1 6626 4226 4661 1 1 8048 1 1 1 1 1 9703 3241 1 1 1 1 1 1 1 1 1 16437 1 9158 1 1 1 1 1 6375 1 1 1 1 1 1 1 1 1 1 1 1 5064 1 1 1 9538 1 6840 1 1 9329 11618 1 15099 1 1 8364 1 1 199.0949 *199.095* 199.095@2.7838864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1373 1 1 199.095 *199.1* 199.1@1.606396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 199.1 *199.1118* 199.1118@1.4702845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 199.1118 *199.1335* 199.1335@4.8036118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3157 2507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.1335 *199.1576* C11 H21 N O2 6269 6804 1 1 5298 3965 5160 4464 5987 8426 13726 11854 7942 6812 6949 7115 4279 5273 6583 6662 7554 6587 6419 5896 7635 8824 16464 17525 7631 7634 5781 6198 1 13633 10723 10277 1 1 7238 9333 8791 9216 10310 11055 1 1 7092 7087 5902 8088 6636 7289 5195 4879 10453 10091 6266 7613 6815 4963 3740 3912 7428 1 4727 4726 9065 9437 4738 4952 4764 4778 6431 6318 5804 4339 5926 5954 8278 9194 6523 1 10578 1 5171 4953 12627 9108 1 3131 199.1576 *199.1927* dodecanamide 6895 7479 5638 5954 7185 6773 7475 7335 7779 7149 8083 9049 7904 7468 8692 8328 5547 5955 6953 6739 8710 10965 12431 12575 9702 9504 11979 11036 11304 12051 5695 4602 8618 8948 6926 7351 6244 6292 7193 7216 8378 8315 8485 8810 6763 7760 4501 4770 4780 5583 8805 8628 12191 12774 10000 11186 9875 9327 8280 8318 5756 5541 4538 5045 6627 6426 6277 6750 3651 4384 3650 3970 5408 5950 6137 5695 5189 4383 6099 5786 9748 9345 8286 9583 6348 6105 7050 7083 6334 6244 199.1927 *199.2287* 199.2287@3.9819593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.2287 *200.0648* 200.0648@1.2399738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0648 *200.0812* 200.0812@2.3273516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19776 19228 1 1 1 1 1 1 1 1 1 1 200.0812 *200.0822* 200.0822@2.421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6569 1 1 1 1 1 1 1 1 1 1 200.0822 *200.0834* 200.0834@2.8321724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 2538 1 1 1 1 1 1 1 1 1 1 200.0834 *200.0853* 200.0853@2.4400609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2235 1832 1 1 1 1 1 1 1 1719 1 1 1 1 1 1511 1 1 1 1199 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 2098 2189 1 1 1 1 1 1 1371 1 2856 2047 1 1 1 1 1 1 2413 1 1 1 1 1 1 1 1 2022 1 1 1 1 1 1 1 1776 1 2061 200.0853 *200.0891* 200.0891@2.4288485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 200.0891 *200.0908* 200.0908@2.1242235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 200.0908 *200.0922* 200.0922@2.9179385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 1365 1391 1 1 1 1 1 1 1 1 1 1 200.0922 *200.093* 200.093@0.61392945 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.093 *200.0936* 200.0936@1.340706 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 1 1 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 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0936 *200.0937* 200.0937@0.64418817 1 1 1 1 1 1 3336 1 1 1 1 2251 1 1447 1 1 1 1 1 1 1 5360 1 1 1 1 1 1 1 1 2607 1 1 1 1416 1 1 1763 2152 1 1 1 2744 1 1 1 1 1 2598 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 1 1 1 4227 1 1 1621 1 1 1 1 200.0937 *200.0938* 200.0938@0.88843155 1 1 1 1 1 1 2182 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 1138 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 1671 1 1051 1 1 1826 1534 1 1 1 200.0938 *200.0945* 200.0945@3.8420932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 200.0945 *200.0946* Harmalol 1660 1471 1818 1 2958 3573 1065 2042 1803 1 4304 2764 2240 1040 3340 2448 1 1 1 1 1 1480 1517 1823 1 1 1 3118 1 1 2660 1 1 1 1387 1 3772 1381 1689 2793 1 1 1866 1363 1 1 1 1 3405 1862 1 1244 1 2454 1 1 1157 1683 1 1 1 1 2491 1424 1 1066 1 1 1651 3907 1 1 1 1 4095 1829 1104 1 1777 1218 2749 1 1903 1894 1732 1298 2388 1198 1 1 C06537 200.0946 *200.0948* 200.0948@2.1110594 1 1 2695 3506 1 1 1 1 1 1 1 2661 1 1522 1 1 1 1 1 1666 1108 1 1 1 1 1 1 1 1 1 2691 2268 1 1714 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2680 1 1 1 3589 1 1 1 1 1210 1 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0948 *200.0948* 200.0948@1.0164216 1 1 1 1 1 1230 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 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 1 2171 1 1 1 1 1 1 1 1 3311 1 1 1 1 1 1876 1 1 1 1076 1 1 1 200.0948 *200.0951* 200.0951@2.8559928 1 1 1 1 1 1 1083 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.0951 *200.096* Harmalol + 1.3159521 1 2594 5497 4117 2361 1340 1 1 1 1 1586 1 1512 3477 1 1 2690 1 1 1 3668 2544 3015 1 3291 1 1 3761 1 1 1352 1 4014 1220 2879 1747 1799 3311 1820 1 1 1 1 1 2394 1 1 1 1 1 1 1 1 2934 1 1 1 1 1726 1 1 1 1 1 3135 1930 1 1 1 1 3380 1 1 3027 1199 1278 1965 1 1 1 2774 1 1 1923 1423 1 1 1467 1911 2671 C06537 200.096 *200.0969* 200.0969@1.4999528 1 1 1 1 1 1 2314 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1188 1 1 1 1 1500 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 2401 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 5510 1 1 1 1 1 1 1 1 1 1 200.0969 *200.1018* 200.1018@2.108142 1 1 1 1 1 1 1 3725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1018 *200.1024* C10 H16 O4 1 3226 1624 1535 1 1 1 1 3484 2727 5203 1 1614 1947 1690 3469 2965 1969 1831 1 2087 1 1 1 1 1 1 1 1984 1376 1 1 1936 1 2510 1844 1 1 1 2090 1 1 1963 1 1 1 2131 1830 1971 1 2044 1 1 1 1579 1725 3087 7454 3963 1852 1557 1815 3027 1218 1814 1595 1 5954 2120 1 2052 2138 2452 1644 1509 1 2276 1988 5659 3866 1 1 1737 1749 1 1 2059 1739 1 1 200.1024 *200.1185* 200.1185@4.453448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 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 1 200.1185 *200.145* 200.145@2.1336129 1 1 1 1 1624 3920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.145 *200.1485* 200.1485@1.9433953 1 1 1 1 1 5831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5390 4253 1 1 1 1 1 1 2638 1731 1797 1601 1 1 13564 1 1 1447 1 1 1 1 1 1 1 1 1 1260 2811 2949 1 1 1 1 1777 1 1 1 1 1 1 1 1 1 1 1 1899 1 1 1 2991 2512 1 1 1 1 1 1 1 1 2395 1 200.1485 *200.1486* 200.1486@1.2094607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1924 1 1 200.1486 *200.1514* 200.1514@2.076401 1 1 1 1 7743 1 1 1 1 1 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 1516 1 1 1 14095 1 1 1 1 16682 17130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 200.1514 *200.1524* Ethambutol aldehyde 3800 3788 6570 7199 4358 3774 3959 4089 2974 2752 3787 3812 3311 3480 3637 3899 3358 3801 6373 6031 3155 3336 3527 3919 3238 3589 2077 2367 3554 3522 3372 3141 2622 2764 6430 5581 16038 16538 9663 9113 6918 6508 3018 3356 4368 3818 6828 6980 2944 3097 3243 3795 5879 6050 9242 9048 2302 2242 6980 7191 8022 8313 13465 13493 7753 7721 4553 4692 5124 4728 8584 8290 3089 2645 2293 2216 7225 7640 5755 4909 7993 7497 9487 9903 8343 8224 1859 1835 6758 7050 200.1524 *201.0414* 201.0414@3.059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 201.0414 *201.0616* 201.0616@4.3551273 1 1 1 1 1 1 3336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1126 1 1 1 5879 2522 1 1 1 1 1423 1662 1 1874 1 1 1 1479 2165 1427 2802 1311 1 1835 1 2150 1978 1 1 1 201.0616 *201.0619* 201.0619@4.2806034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2760 1 1 1 1 1 2212 1 1 1 1 1 1 201.0619 *201.0627* 201.0627@4.2113123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3633 1 1 1 1 1 1 1 1 1 1 1 1330 1 3393 1 1 1 1 201.0627 *201.0629* 201.0629@4.315745 1 1 1 1 1 1 2018 1 1 1 1089 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 1 4895 1 1 1 1010 1800 1 1 1 1 2336 1153 1 1 1058 1 1 1 1 1142 4077 1289 1 1 3234 3536 4147 1131 1 1 2236 2080 1823 1422 1177 2119 1 1811 1 3777 1 1660 1 1 201.0629 *201.0636* C8 H11 N O5 1282 1 1 1223 1997 1574 1307 1560 1 2313 2857 2233 1 1 2347 1646 1 3768 1 1 1 1 1364 1016 4272 1 1 3910 1 1 1 1 1 1 1 2016 1 1 1 1 1964 1 1 1 1802 1 2594 3018 1 1 2146 1269 2352 1 1 1 2366 1 1 1 3720 1 2244 1 1117 1210 2787 2064 1838 1 4872 4373 1237 1612 1 1 4100 2871 2624 1803 4391 4681 4455 1563 3003 3396 1280 1 1870 1376 201.0636 *201.0636* 201.0636@3.9723523 1 1 1 1 1303 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1079 2028 1 3023 1 1 1 1 1 1 1 1 1 1 1037 1798 1 1 2678 1 1 1 1400 1925 1 1 1 1 1 1 1 1 1 2677 1 1 2784 1 1565 2784 201.0636 *201.0836* 201.0836@1.0874001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 201.0836 *201.0864* 201.0864@2.1919026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2723 1 1 1 1 1 1 1 1 1 1 201.0864 *201.0979* 201.0979@1.33891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0979 *201.0991* 201.0991@2.547938 1 1 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 1 1 1 1 1 1 1 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 1889 1 1 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.0991 *201.0999* C9 H15 N O4 1 1 1 1 7669 7553 1 1 7050 2912 5817 5690 4017 3699 1734 1 5496 5084 5686 5743 3635 3733 1 1929 3849 4019 5723 7783 1 1 2937 2732 4642 3645 2109 1 1 1 7161 7140 2612 2848 1 3020 5615 4626 1 1 1 1 2137 4445 4849 4975 1 1 5197 5750 1 1 1 1 4378 4312 6195 6652 2674 1 2525 1 3935 2892 1977 2864 3775 2635 3428 3947 11803 13777 6532 6028 5647 5802 1 1 1 1 4119 4578 201.0999 *201.1019* 201.1019@1.8531951 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1019 *201.1039* 201.1039@1.3599305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1468 1 1 1 1 1111 1 1 1 1 1 201.1039 *201.1042* 201.1042@1.791293 1 1 1 1 1 1 1 1 1 1 3539 3002 1 2005 1 1 3410 1 1 1685 2370 1 1431 1 1 1 1 1 2708 1 1 1963 1 1 1 1 1 1 1 1 1 1 1 1967 1678 1 1 1 1 3047 1 1 1 1 2406 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7307 7731 1 1 1 1 1 1 2217 1397 1 1 201.1042 *201.1101* 201.1101@1.7005979 1 1 1 1 1 1 1 1715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2475 1 1 1 1 2371 1 1 2298 2430 1 1 1 1 1 1 1 1 1 1 201.1101 *201.1127* 201.1127@1.7605493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1127 *201.1144* C13 H15 N O 1 1 8536 9971 12375 11984 9501 9754 1 1 1 1 1 1 1 1 1 1 3977 4285 1 1 1 1 73467 72627 1 1 1 1 29239 28565 1 1 1 1 1439 1 1 1698 17481 17332 1 1 4396 3634 4031 3845 1 1 1 1 1 1 1 1 1 1 4286 5208 7960 8615 23974 25178 1 1 1 1 3822 3816 159907 164165 1 1 1816 1 3076 3245 1 1 1 1 1 1 1 1 1 1 1 1 201.1144 *201.1289* 201.1289@1.2432952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4120 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 201.1289 *201.1293* 201.1293@1.4319545 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1293 *201.1331* 201.1331@1.1072494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1286 1008 1 1 1767 1784 1276 1502 1 1 1216 1 1 1 1 1 1 1 1 1 1152 1022 1 1220 1 1 1701 1 1 1232 1 1440 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 1648 1 1 1 201.1331 *201.1466* 201.1466@1.2113101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1466 *201.1469* 201.1469@6.746654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1045 1184 1133 1 1 1 1 2342 1900 1 1 1 1 1 1 5026 4387 2599 2453 2245 2556 4777 3884 1 1387 1 1 1 1 1 1 1321 1 2067 2216 2616 2435 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 2195 2363 1 1 4517 5106 1954 1975 201.1469 *201.1538* 201.1538@2.0694873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1538 *201.1653* 201.1653@1.2166905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1152 1 1 1 1 1 1 1 1 1 2397 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1653 *201.1716* 201.1716@5.069561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.1716 *201.1723* 201.1723@1.217078 1 1 1 1 1 1 4021 1 1 1 3308 3432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4109 3899 1 1 1 1 1 1 1 1 5441 2540 1 1 1071 1 1 1 5312 5552 1 1 1 1 1 1 1 1 1699 1926 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 1550 1556 1 1 1 1 1 1 1 201.1723 *201.1733* 11-amino-undecanoic acid 16678 15638 1155 1050 1 1268 1365 1653 1 1 1 1 1098 1 1 1 1450 1617 1 1 1 1 3415 4228 1 1 1040 1066 1 1 3748 4313 20336 19825 1975 2026 1446 1286 5250 5862 1762 1692 1163 1 1959 2641 1705 1502 1640 1 1267 1232 2045 2110 1431 1716 1 1 1682 1786 235052 236048 316058 312543 141015 146140 181457 181603 69414 69159 49859 50534 61674 57900 128279 128350 105568 103328 151043 153851 95879 95844 42834 43423 79496 79634 127872 127732 87132 85471 201.1733 *201.2352* 201.2352@1.6544881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 201.2352 *202.0007* 202.0007@1.1943045 1 1 1 1 16763 16384 1 1 1 1 1 1 1 1 1 1 18194 16161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11867 11156 1 1 1 1 1 1 1 1 7082 1 1 1 8008 8169 1 1 1 1 1 1 14456 13866 202.0007 *202.0358* 202.0358@2.11354 1 1 1 1 1 1 1 1 1 1 2127 1946 1 1 1 1779 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 3172 1165 1 1956 1 1 1 1536 1 1 1 3969 1 1 1 1 1 1 2708 1 4025 1 1 1 1965 1 1 1 1 2783 1 1 6595 2653 1 2061 3575 1 1 1 1763 1 1 1 1 1 1 1 2874 5819 1 7258 1 3752 1 1 1 202.0358 *202.0427* 202.0427@2.0215554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2778 1 1 1 1 1 1 7170 1 1 1 2973 1 1 1 202.0427 *202.0438* C12 H10 O S 1080 12437 12180 7364 20388 4042 16861 18886 6027 5672 12097 9881 10098 4354 3030 8059 12077 1 1040 1 8630 2156 10103 9683 21412 10087 20618 2579 8479 10367 15923 12720 5089 1 1703 4037 7112 12152 2816 1 1 14557 6684 14807 2553 6859 1261 15946 9090 6789 6745 6471 4709 5679 4079 7198 13686 1 8031 8032 1 1 8087 1 1 8825 5718 8232 10459 3076 17375 11735 17579 7880 12525 3869 2857 9736 10126 15939 12222 12032 11790 12304 11273 12530 12835 13213 10485 5063 202.0438 *202.0445* 202.0445@2.3714945 10761 1 1 2618 1 16931 1 1 7996 1 1 1 1839 1280 1961 1 1 1 3677 1 7340 15218 1 1 1 10981 1 15385 1 1 1282 3322 5656 1 5082 1511 1528 1 9437 1 1 1 9166 1 1165 1 16638 1 1 1490 4379 3140 1 1 8794 1 1 1 1 1 1 1 1 1 1 9721 1 1 2169 6719 1 6064 1 12349 1 1 1 1 7966 1 1 1 1 1 1 2835 1 1 1 10138 202.0445 *202.0446* 202.0446@2.5175958 5424 1 1 1 1 1 1 1 1 1 1802 1 1 5804 5179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 1 1 12640 2910 1 1 1 1 1 1 5134 3577 1 1 1 1 1 1 3875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4420 1 1 1 1 1 1 1 1 1 5759 1 4570 1 1 1 1 1 1 1 1 1 202.0446 *202.0449* 202.0449@3.0248678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 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 10259 13594 1 14418 7945 1 1 1 1 1 202.0449 *202.045* 202.045@2.9221525 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 6203 1 86662 1 1 1 1 1 1 1 1 1334 1 1 1 1 1 1 1 1 1 1 1 1 1 23447 19291 57964 61495 1 1 1 1 5686 1 1 20720 7657 1 42374 35189 16264 20829 29909 1 1 1 60572 1 54762 15025 1 1 1 1 1 1 1 1 1 1 16842 1 1 7384 202.045 *202.0451* myo-Inositol 1841 2231 3962 3531 1 1460 2464 1 3402 2195 1486 2687 1 1127 1 1 1 1 4252 4335 1386 1 1 1 3564 1621 2759 1 1 1 7494 8142 3315 3088 2236 1886 1045 1755 3401 2124 1130 1684 1 1079 1 1 2935 4081 1 1 1 1902 1488 2487 1 1 4933 4897 1168 1 1 1 7452 4379 2595 2662 1 10076 2191 6248 2163 1 1 1 2252 1 2590 2612 13086 10460 3195 2605 1 1 4155 1 1 1 2844 3228 C00137 202.0451 *202.0453* a-Glucose 14303 179229 179040 184625 15188 120195 244651 235543 16558 6997 16886 21246 15838 17845 174683 16619 19132 219818 192976 16761 20584 18582 18587 17017 257694 256605 8297 10532 219237 19497 4118 212285 18337 18775 1977 234135 15132 247188 18767 130817 15587 17370 242645 11956 8823 196263 16069 243760 14160 125639 20355 10857 19365 19959 15627 11864 132865 119893 16287 15118 29798 12706 120335 16909 15458 6870 3692 22448 2684 4813 1 35731 127826 195066 16353 44024 20717 16906 26903 24826 7289 4301 8621 1 10030 24595 23150 1 69036 45379 HMDB03345 C00267 202.0453 *202.0453* 202.0453@2.7032063 1 1 1 1 1 1 1 1 1 1 1 1 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 9683 1 1 1 1 1 1 1 1 1 1 1 1 1 2210 1 1 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0453 *202.0453* myo-Inositol + 2.8432112 195946 1 1 1 259518 134065 1 1 203560 189154 225206 217753 183819 182970 1 179891 242296 1 1 181069 161126 161959 157420 144280 1 1 184003 92110 1 215702 182229 1 137852 142937 229514 1 241894 1 142761 1 146964 141558 1 221015 194230 1 246633 1 140370 1 12408 10967 1 1 74035 72859 1 1 118478 108332 1 1 1 114456 1 1 19741 13031 157029 180051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20906 C00137 202.0453 *202.0467* 202.0467@1.425169 1 7118 1 1 5658 1 1 1 1 1 10643 10645 1 1865 1 1 1 6994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2996 1 1 1 1282 1 1 1 3569 1 1153 1 1 1991 1 1 1 1 1 1 1 1 1492 1 1 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7731 8483 1 1 2641 3068 1 1 1 1 10283 1 202.0467 *202.0475* C8 H10 O6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 1 1 1 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 4987 3307 3464 2019 1 1 1 1 1 5070 5199 1 2614 1 1 1 3666 1 1 11912 12048 1 1 3426 1 8513 9311 8907 3326 10273 11050 8866 8689 6110 6566 5710 6071 4795 5042 202.0475 *202.0476* 202.0476@1.509337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 202.0476 *202.0484* 202.0484@4.168056 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2275 1 1 1 1 2223 1 1 1 1 202.0484 *202.0487* 202.0487@4.3436327 1 1 1 1 1 1489 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3037 1 1 1 1823 1 1 1 1 1841 1 1 1 1 202.0487 *202.0501* 202.0501@5.040666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1 4426 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0501 *202.0523* 202.0523@1.4004649 1 1916 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1821 2538 1 1 1 1 1 1 1 1 1 1 202.0523 *202.0578* 202.0578@1.994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3267 1 1 1 1 1 1 1 1 1 1 202.0578 *202.0629* 202.0629@1.487 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 202.0629 *202.0672* 202.0672@1.4862747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 202.0672 *202.068* 202.068@1.9829483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 202.068 *202.0794* 202.0794@1.1817948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 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 1 202.0794 *202.0835* 202.0835@1.1825359 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0835 *202.0886* C7 H14 N4 O S 1347 1261 1 1446 1 1138 1274 1483 1481 1560 1489 1313 1949 1614 1744 1 1321 1323 1207 1599 1446 1238 1478 1503 1 1 1262 1786 1 1104 1 1512 1427 1 1 1 1318 1234 1713 1380 1 1 1544 1667 1493 1367 1161 1266 1066 1383 1693 1 1 2024 2112 1845 1111 1416 1326 1439 1258 1 1 1 1 1127 1188 1 1210 1112 1 1 1 1 1 1060 1412 1 1552 1 1 1045 1 1 1463 1 1353 1 1 1012 202.0886 *202.0934* 202.0934@1.0686318 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 1570 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 1 202.0934 *202.0972* 202.0972@2.1611109 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0972 *202.0999* 202.0999@1.853189 1 1 1 1 2602 1 1 1 1 1 2894 1 1 1 1 1 1 1 1 1 1 1 2747 1 1 1 4976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2451 1 1 1 1 1 2996 2281 1 1 1 1 1 1 202.0999 *202.1002* C13 H14 O2 8546 7376 7099 7197 3640 2219 7072 7536 5927 1 5639 8932 8351 7764 6824 6058 13047 12701 10222 9194 10677 8857 4303 7005 8002 8167 4809 10982 11020 12262 7073 6984 5010 4984 4421 4560 6213 5993 7115 8013 7313 7938 5006 5824 6152 7018 1 4931 8608 9477 6523 6898 5874 6468 6819 6872 8668 7205 7819 7871 8023 7881 6061 6466 7664 7187 6602 7547 7189 7734 4523 1442 5635 4691 2126 4844 4992 7644 34114 32369 8815 8410 3791 4581 5602 5107 9828 9722 5684 5385 202.1002 *202.1077* 202.1077@1.8020236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 202.1077 *202.1105* 202.1105@3.1949177 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1105 *202.1269* 202.1269@1.2082243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 202.1269 *202.1309* 202.1309@3.9952807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3872 3873 1 1 1 1 1 1 1 1 1 1 202.1309 *202.1315* Ala Leu 2801 3152 3465 3367 3125 3452 4728 4228 2785 2669 4784 5467 4398 4259 3413 3612 3019 3347 7238 7605 3344 3858 3503 3354 5224 5510 3783 4388 2471 2513 5951 6910 5398 4918 4263 4958 6179 5894 6658 6160 7493 7837 3239 3608 3784 3374 3477 3785 2443 2690 7574 8218 4815 5321 3220 3146 3141 3570 3366 2609 8329 7879 4694 4065 7104 7134 6997 6829 5058 5867 18115 18541 2485 2383 4008 4102 10044 10520 9974 9330 9669 9149 4981 5254 11453 11039 9324 9769 6816 7257 202.1315 *202.1315* Ile Ala 1252 1268 1472 1259 1932 1770 2003 1925 1837 1580 1587 1791 1270 1427 1512 1624 1048 1676 2071 2240 1284 1 1888 1752 1658 1466 1340 1422 1 1 2786 3002 1452 1871 1843 1778 2407 2561 2804 2452 2546 2289 1649 1353 1503 1745 1848 2042 1 1 3227 3277 3104 3049 1662 1565 1146 1 1651 1903 3460 3373 2541 2546 2582 2525 1451 1639 2171 2333 7410 6650 1584 1192 1642 1741 5470 5226 3966 3977 6253 5187 3365 3586 5974 5563 2982 3375 3726 3212 202.1315 *202.1333* 202.1333@1.2087286 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1133 1 1 1 1 1 2839 1097 1 1 1 1 1 1 1452 1138 1 1 1 1 1180 1 1 1 1 1 15036 9343 1 1 1 1 1023 1 3008 1134 1 1 1 1 1180 1 1 1 1 1 1 2830 1027 4193 2659 1074 1878 1405 1 2112 3392 1 1 1 1 1 1888 1 2039 2178 1 1 1 1 3903 2923 1 1784 1 1 202.1333 *202.1366* C11 H22 O S 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5193 4464 1 1 1 1 1 1 2780 2908 2415 2502 1 2664 2143 2063 1 1 1 1 1 1 1 1 1 1 1 1 3926 4660 11035 13245 1 1932 1743 1581 1 1 1 1 1 1 1 1 1 1 2120 1 1 3553 2610 1817 3243 3141 1 1 1 1 2147 2359 3008 3579 1 1 3731 1 1836 2640 202.1366 *202.1414* 202.1414@1.2101952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1414 *202.1657* 202.1657@2.8324757 2573 1 1440 2234 3010 1607 1672 1423 2508 1 1 2451 2241 1118 1 1 1 1314 1124 1 1 1 1185 1 1 1 1 1 1 1 1 1056 1 1 1 3269 1 1786 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.1657 *202.167* C10 H22 N2 O2 1 1 1440 1436 1 1 1112 1 1193 1279 1 1 1 1 1 1 1062 1255 1 1060 1 1 1254 1176 1 1 1 1 1 1 1 1 1 1 1412 1068 2934 3119 1205 1423 1150 1108 1 1 1339 1314 1562 1 1 1 1 1 1624 1 1512 1723 1 1 1 1 1396 1158 3209 3147 1532 1584 1499 1132 1368 1438 2262 2273 1 1 1 1 1566 1903 1979 1530 1544 1446 1555 1620 1401 1651 1 1 1902 1530 202.167 *202.1761* 202.1761@5.0588493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1268 1 1 1 1 1 1 202.1761 *203.0479* 203.0479@2.9022832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 203.0479 *203.0486* 203.0486@2.7950552 1 1 1 1 1 1 5405 1 1 1 1 1 1 1 1 1 1 6322 1 1 1 1 1 1 5184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0486 *203.0494* 203.0494@2.8194525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0494 *203.0562* 203.0562@1.4164946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 203.0562 *203.0574* 203.0574@5.830762 1 1 1568 1 1 1 1 1 1 1 1 2338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 1 1 1 3319 3137 1 1 1 1 1 1 2839 2772 1 1 1 1 1 1 1 1 1 1 1 1 5278 1 1 1 203.0574 *203.0584* 203.0584@5.834281 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1073 1 1 1 1 1 1 1 1 2338 2429 1 1 1950 1 1 3876 1226 1 2802 3144 2238 2509 1 2189 1 1 1 1 203.0584 *203.0795* 203.0795@2.3162105 1 1 1 1 1 1 1 1 1 1 1 1 3650 1592 1 1 1 1 1 1 1 1 3783 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6595 6697 2550 2164 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3677 1448 1 1 1 1 1 1 1 1 1 1 3902 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 1 1 1 203.0795 *203.0797* 203.0797@2.3392005 1 1 1 1 1 1 1 1 1 1 1 1 1 2296 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.0797 *203.08* 203.08@3.229184 1 1 3694 2666 3795 3505 2890 4175 3414 2827 2922 3733 1906 3082 1709 1 4062 3417 4859 4024 3679 1394 3228 5040 1921 2847 3159 5109 1 1 4579 2774 3690 2908 2642 4197 6372 5855 5483 4214 3973 4396 2304 2739 3750 5039 1810 2950 1994 1927 6992 7560 6627 7823 2410 3196 1010 3663 3497 3924 5106 7966 1 3776 7233 4330 2561 2169 4904 3758 6099 5525 1682 2951 2352 1943 2209 5174 11183 1 2799 1 6212 4448 8967 1 1 7512 6668 6269 203.08 *203.0803* 203.0803@3.2904315 1 1 1 1 1 1 1 1 1 1925 1 1 1 1 1 1 1 1 1 1 1 3194 1349 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 1071 1 1 1403 1 1657 1 1 1 1301 1 1 1 1627 1 1 1 1 1410 1 1 1 1 5501 1 1 1 1 1 2842 1 1 1 3674 1 1 1 1 1 1 1 1 1 203.0803 *203.0823* 203.0823@1.3298111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 203.0823 *203.0839* 203.0839@1.8171085 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 2021 3795 4737 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 2799 1 1 1 1 2017 1 3582 1 1 1 1 1 1 1 1 1 1 2557 1 1 1 1 1 1 2569 3116 203.0839 *203.0883* 203.0883@1.80624 1 1 1 2201 1 1 1999 1725 1 1 1 1 1 1 1 1 1 1 2131 3993 1 1 1 2500 1 1 1 1 1 1 1 2052 1 1414 1 1 1 1886 2763 1 3396 2782 1580 1 1 2688 1 3371 1 1 1 1 2887 2748 1 1821 1962 1438 2854 2390 1498 1984 1 1 1 2487 1 1 1 2490 1 1 1755 1 1 1 1 2421 1 1 2047 1 1 1 2595 1 2338 1927 1 1 203.0883 *203.095* 203.095@1.791427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 5640 1 1 1 1 1 1 1 1 1 1 1 203.095 *203.0978* 203.0978@1.8245223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4878 11479 1 1 1 1 1 1 1 1 1 1 203.0978 *203.0999* 203.0999@1.2994472 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 1975 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 1 203.0999 *203.1015* 203.1015@1.3054954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2253 2168 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1015 *203.1143* 203.1143@1.6275936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5800 5589 1 1 1 1 1 1 1 1 1 1 203.1143 *203.1154* 203.1154@7.2760725 1253 1 1 1 1 1 1 1 1 1 1 1 24162 1 1 1 1 1430 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1154 *203.1161* L-Glutamic acid n-butyl ester 118454 116032 163642 163171 222726 226847 204834 207156 127404 129150 226042 228880 118731 142807 186274 189285 191798 194039 242398 242142 120421 119726 106405 105917 91314 90659 266153 265034 89712 88295 196711 196411 253770 251428 54958 52993 131356 133635 132799 136362 102385 103653 189217 188115 126523 122836 142829 142840 142981 144591 99634 97934 166926 164987 128698 123589 99728 101657 66233 65830 168702 168872 162470 162093 210008 210571 171412 169919 206610 207877 211684 213333 155784 159464 137938 139767 208796 209988 151037 152446 138363 140536 307314 303016 180471 176072 476004 480821 98400 97013 203.1161 *203.1178* 203.1178@1.2251779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 1 1 1812 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1178 *203.1259* 203.1259@5.867513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4914 5290 1 1 1 1 1 1 1 1 1 1 203.1259 *203.1261* 203.1261@1.2137299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1261 *203.1498* 203.1498@1.263605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2440 1741 1 1 1 1 1 1 1 1 1895 1878 1 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 203.1498 *203.2366* 203.2366@7.19662 1312 1586 1994 1 3336 2834 2539 3269 1 1575 3136 3372 1494 1445 2945 2411 2724 2750 3811 2883 1281 1545 1 1 1 1 4633 1 1 1 3056 2265 3968 3779 1 1 1 1 1 1317 1 1 2137 2634 1151 1196 1494 1 1822 1577 1 1 1 1 1392 1 1230 1 1 1 1 1710 1 1 1 2754 2122 1 3403 1 1 1 1757 1943 1316 1 2816 2212 1091 1 1 1439 4818 3861 2582 1 9501 7789 1 1 203.2366 *204.0444* 204.0444@1.452042 1 1 1 1 1 1 1 1 6818 1 1 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 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2462 2526 1 1 1 1 1 1 1 1 1 1 1 1 1790 1 1 1 1 1 1 1 11377 10522 1476 1 1 1 204.0444 *204.0486* 204.0486@1.4515054 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 204.0486 *204.0535* 204.0535@2.8201184 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 8876 1 1 1 1 1 1 1 2195 1 1 1 1 1 1 1 1 1 1 1 8467 1 1 1 1 3923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0535 *204.0602* 204.0602@3.6363347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 204.0602 *204.0609* C4 H8 N6 O4 43283 39660 1 45886 1 1 90906 89328 60641 1 61900 62843 35278 36117 34586 36715 51220 53238 47342 45608 1 1 50756 50569 1 50951 1 1 32893 30462 12940 11031 37787 40300 1 1 67252 66171 61726 60166 51204 46669 1 53228 24038 22924 64840 68985 16438 21811 1 82993 53244 51887 34065 34252 40378 42861 33548 34068 1 1 51525 51643 1 79305 50834 46652 51979 49220 2518 174423 71910 69482 71612 75968 120005 1 1 1 116720 1564 1 72836 1309 138456 1 76742 1 1 204.0609 *204.0611* 204.0611@3.499826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.0611 *204.0748* 204.0748@2.3523436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134045 137085 1 1 1 1 1 1 1 1 1 1 204.0748 *204.0749* 204.0749@2.58 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4405 1 1 1 1 1 1 1 1 1 1 204.0749 *204.0749* 204.0749@2.7467008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131940 130328 1 1 1 1 1 1 1 1 1 1 204.0749 *204.075* 204.075@2.1464162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39236 37306 1 1 1 1 1 1 1 1 1 1 204.075 *204.075* 204.075@2.5182843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22092 17436 1 1 1 1 1 1 1 1 1 1 204.075 *204.0757* 204.0757@2.9271345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5347 1 1 1 1 1 1 1 1 1 1 204.0757 *204.0789* LEVULINIC ACID, 3-BENZYLIDENYL- 18676 18604 15871 14640 20383 19285 20438 20486 19354 20988 14010 14745 28551 28746 20296 20521 10732 10437 22643 23017 20881 20990 26610 28363 20152 18346 21623 20734 24094 22688 14106 14476 15396 14699 13775 12301 14650 15628 14637 14246 10847 11726 14959 14708 12113 11433 11878 12476 11948 12699 14411 14578 21990 20851 11560 10931 15067 14480 14071 13374 12986 12426 11010 10930 11411 11332 10172 9741 8943 8843 6609 6737 11874 12195 13597 13845 10058 9459 10659 10437 14158 14673 8131 7715 12803 12907 11474 11787 13730 13001 204.0789 *204.0809* 204.0809@1.0684929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 204.0809 *204.0905* 204.0905@5.542045 1 1 2528 1 1 1513 1 1 1829 1346 1 1 1 2403 1 2703 1 1 2080 1 2284 1 1333 1 1616 1 1 1 1 1684 1 1 1 1 1 1423 1 1 1 2406 2369 1 2190 1 1683 1 2160 1 1608 1741 1595 2249 1 1 1 1936 1 1 1 1305 2052 1 2374 1 3168 1 1 1742 1966 1 1858 1493 1 1 1994 1876 1 1924 1016 1 1877 1 1 1 1338 1375 1 3517 1 1802 204.0905 *204.0969* 204.0969@1.356805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1642 204.0969 *204.1016* 204.1016@1.2517902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1835 1 1 1 2136 1 204.1016 *204.1066* 204.1066@1.2150283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 204.1066 *204.1159* 204.1159@1.1581968 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 1 1 1 1 1 1 1 3175 4525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.1159 *204.1237* 204.1237@1.2023867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 204.1237 *204.1301* 204.1301@1.1629167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 3974 1 1 1 1 1 1 1022 1 1 204.1301 *205.0208* 205.0208@1.5695688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 205.0208 *205.0212* C6 H7 N O7 14646 1 1 25473 1 1 1 38896 24428 26690 38844 1 30360 29376 28183 26874 1 1 32342 33172 28096 1 1 15076 15802 1 1 30731 17965 1 26310 27086 1 1 1 24752 29069 27340 22799 22948 1 26983 1 23863 1 8048 22184 23750 27073 26868 22419 22262 23007 22047 8326 9160 8172 9100 1 8105 49636 49989 1 23670 38104 1 22746 21875 34285 32056 43020 42201 1 35128 25178 26557 29285 1 10025 1 32386 33751 40833 42956 1 51421 1 1 1 22666 205.0212 *205.0601* 205.0601@1.6515849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2044 1 1 1 1 1 1 1 1 1 1 205.0601 *205.0665* 205.0665@3.343474 1 1 1 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 1188 1 1056 1 1 1 1 1 1272 1956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 205.0665 *205.0947* 205.0947@2.485478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 3113 2593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1857 1015 1306 2618 1 1 1 1 1 1 3821 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 1 1 1 2949 205.0947 *205.1027* 205.1027@1.2096943 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 1 205.1027 *205.1096* 205.1096@4.4389715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2751 2875 1 1 1 1 1 1 1 1 1 1 1 1 205.1096 *205.1112* 205.1112@2.0741363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 205.1112 *205.1134* 205.1134@1.2094815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1044 1 1 1 1 1 1 1 1 1 1 205.1134 *206.0048* C6 H6 O8 1 1197 1 1 1058 1314 4564 3921 3513 3015 3364 3383 1 4420 1 2834 1 1 3888 3624 1 1012 2030 2140 1 1 2933 2822 1 1669 3631 3601 1 1 2209 2331 1 1 2917 2377 4154 4655 1 1 1 1 3261 3520 1 1 2095 2257 4161 1 1 1 1 1 1201 1 3628 3821 1 1 1 1 1 1 1 3844 1 1 4654 4750 3132 2971 8207 1 1773 1 4182 4527 1 1910 1 5221 3377 3180 1 1 206.0048 *206.0436* 206.0436@3.1910944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0436 *206.0453* 206.0453@1.4439713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 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 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 4958 206.0453 *206.0519* 206.0519@1.3588545 1 1 1 1 1 1 1 1692 1 1 1 1 4732 4665 1 1 5388 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9237 8245 1 1 1 1 1 1 1 1 4831 1 1 1 1 1 1 1 1 1 1 1 10154 6870 206.0519 *206.0525* 206.0525@1.2197213 1 1 1 1 1 1 1804 2076 1 1 1 1 2883 2918 1 1 5122 4840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5975 6138 1 1 1 1 1 1 1 1 3798 3924 1 1 1 1 1 1 1 1 1 1 6600 6589 206.0525 *206.0532* 206.0532@1.2698889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 206.0532 *206.0603* 206.0603@2.3744543 1 1 1 1 1 1 1 4277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8095 7735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2987 4345 1 1 1 1 1 1 3128 1 1 1 1 1 1 2001 1 1 1 2709 1 3555 7744 1167 2137 206.0603 *206.0612* 206.0612@2.4157732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0612 *206.0713* 206.0713@2.337698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.0713 *206.0824* 206.0824@2.0341263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.0824 *206.0868* 206.0868@2.0423825 1 1 1 1 1 1 1 1 1 1 1 1 1 1315 1 3802 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 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 3613 1 1 1 1 1 1 1 1 1 1 206.0868 *206.0905* 206.0905@1.648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.0905 *206.1035* Phenylethylmalonamide (PEMA) 15795 16874 13236 12452 10685 8344 7105 7548 1 2399 1 22841 17322 16950 22898 22145 6325 13364 8543 1 46222 45382 12465 13862 16072 17832 38145 38637 8968 8815 28893 28161 1 25055 1 13025 21589 18043 13966 16893 6210 31677 6452 19479 20841 20805 17386 17836 24611 24523 6370 10388 1 9974 16874 4887 17557 8184 2065 4477 10383 8327 18961 19780 5076 10362 28749 28560 17447 17085 3604 3939 12905 12867 12215 1 2996 3892 5065 5498 5228 4607 6044 6113 2747 5006 6182 6109 12145 6203 C07499 206.1035 *206.1037* 206.1037@2.9363058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1037 *206.1044* 206.1044@2.9361572 1 1 1 1 1 1 1 1 3425 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 3334 2799 1 26009 1 1 1 1 1 1 1 1 1 2405 1 1 1 1 1 1 9125 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1732 1 1 1 1 1 206.1044 *206.1068* 206.1068@1.1863058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1250269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1068 *206.1073* 206.1073@1.184028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 3476692 2561497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1073 *206.1136* 206.1136@1.1380711 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1136 *206.1189* 206.1189@1.3283697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 206.1189 *206.1228* 206.1228@1.1497407 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1303 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1 1 206.1228 *206.125* 206.125@1.1713656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7995 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 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.125 *206.1384* 206.1384@4.1374884 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.1384 *206.1414* 206.1414@4.148261 1 1 1 1 1 1 4092 4346 1 1 1 1 1 1 7693 7187 3070 3954 1 1 1 1 1999 1856 1 1 1 1 1 1 101078 97262 1 1 1623 1835 1 1 1 1 1 1 1 1 1 1 1 1 3321 3230 1 1 1 1 1 1 1 1 8160 8368 2257 1943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 2964 1 1353 5518 5459 8216 7035 3247 3018 1885 1888 1 1 206.1414 *206.146* 206.146@1.2389252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.146 *206.1502* 206.1502@1.233578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.1502 *206.151* C10 H22 O4 29898 31285 20766 22865 29208 29342 32169 28471 35200 36573 28000 21735 43397 43825 35110 34995 20943 19017 34025 37768 28897 27423 32568 32116 42983 43835 40367 37461 37213 33457 14410 15438 22796 23656 17825 18109 20800 15495 24087 23105 21027 21503 18216 19529 21583 21171 15172 13781 20050 24107 19576 23461 24915 23435 16031 18305 18017 21123 23470 20748 1 1 18747 16546 16521 14862 16819 17808 13781 12704 11208 9532 14985 18082 19935 18881 20739 18960 39528 42531 10816 13746 21803 18204 15938 18014 15542 15815 12232 10882 206.151 *206.1573* 206.1573@1.1453902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.1573 *206.1988* 206.1988@5.755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 206.1988 *206.8761* 206.8761@1.204766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 206.8761 *206.9212* 206.9212@1.2147623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 206.9212 *206.9818* 206.9818@1.2077649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 206.9818 *207.0384* PTERIN-6-CARBOXYLIC ACID 3034 2653 7440 8046 5547 5220 1 1 6061 6711 4978 6055 5807 5454 2681 2181 1 1 5590 6662 1 1 4075 3413 4816 4586 14011 15532 4334 3773 5406 5191 7171 6594 4204 3293 3940 3667 8720 9348 1 1 7562 7407 6031 6965 2378 1943 1 1 1 1 1 1 1 1 8384 8874 1 1 1 1 1 1 1 1 1 1 8498 8127 1 1 1 1 1 1 1 1329 1 1 1 1 1 1 2550 2145 1918 1803 1 1 207.0384 *207.0391* 207.0391@2.202617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1091 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0391 *207.0452* 207.0452@2.1243572 1 1 1 1 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 1823 1 1 1 1 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 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0452 *207.0549* 207.0549@2.1585321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0549 *207.0564* 207.0564@2.1157825 1 1 1 1 3944 2693 1 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1 1 1 1 1 1 1 2811 1 1 1 1 1 1 1 1 1 1 14335 14641 1 1 11515 11646 1 1 1 1 7357 8657 1 3925 1 1 1 1 8968 8548 8928 8127 1 1 1 1 1 1 1 1 1201 1 2314 1851 1 1 207.0564 *207.0599* 207.0599@2.1079993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 5022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2991 2947 1 1 1 1 1 6572 1052 1 1 1 1 1 1 1 6365 3993 1 1 1 1 1 1 1 1 1 1 2932 1885 1 1 4969 1563 1 1 1 1 1 1 1 1 1 1 1 1 7417 7506 1 1 1 1 1 4618 1439 1 207.0599 *207.0663* 207.0663@2.1090648 1 1 1 1 1 1 1 1 1 1 1 1 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 2922 1 1 1 1 1 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 1 207.0663 *207.0732* 207.0732@2.1006393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1244 1 1182 1 1 1 2432 2817 207.0732 *207.0736* 207.0736@4.825085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5787 6154 1 1 1 1 1 1 1 1 1 1 207.0736 *207.0788* 207.0788@2.0944338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 5455 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3497 3059 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 1 207.0788 *207.0805* 207.0805@2.907286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 207.0805 *207.0835* 207.0835@2.084855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4106 2562 1 1 1 1 1 1 1736 1 1 1 1 1 207.0835 *207.0884* 207.0884@2.0670717 2751 2637 1 1 1 1 1 1 1469 1 1 1 2106 3301 1 1554 1310 1355 2014 1219 1753 1 1 1 1 1 3881 2177 2543 3562 1 1 1 1 1 1 1 1779 1 1 1 1 1 1 1 1 1 1 1628 1 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 1163 1564 1 1757 1 1 1 1 1 1 1835 2377 2104 1088 1 1 1 1 1 1 1 1 1 207.0884 *207.0897* 207.0897@1.1345501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22559 21027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0897 *207.0913* 207.0913@2.08793 1 1 1 1 1 1 1 1 1 1 1 1 1669 1 1782 1 1 1 1 1971 1 1 1 1 1 1 1 1965 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0913 *207.0956* 207.0956@1.2397212 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12929 11182 1 1 1 1 1 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 1 1 1 1265 1 1 1 1 207.0956 *207.0988* 207.0988@1.2319593 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.0988 *207.0989* 207.0989@2.3227086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 207.0989 *207.1073* 207.1073@2.885267 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 1464 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.1073 *207.1091* 207.1091@1.3363745 1 1 1 1 5366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.1091 *207.1293* 207.1293@1.2141474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 12378 11043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.1293 *207.1353* 207.1353@1.2239362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.1353 *207.1419* 207.1419@1.2045283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.1419 *207.1469* 207.1469@4.5892663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 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 1 207.1469 *207.1619* 1-Phenyl-2-(diethylamino)-1-propanol 1 4632 1 1 4865 4187 4918 4263 4576 4859 4229 4573 4468 4623 4675 4566 4245 4600 4745 4260 4344 4276 4281 4644 4214 4038 1 4139 4082 4198 4311 4447 4093 4207 4905 1 4231 4368 1 4694 3559 4110 4295 4540 4106 1 3739 3868 4009 3936 4136 4535 3763 4068 4326 4276 4279 3540 3615 4292 3515 3248 3988 4058 3588 3868 4255 3507 3878 3594 3612 4039 3987 3718 3471 3194 3421 3513 4048 3757 3857 4008 4550 4274 3883 3249 4346 4194 3988 3584 207.1619 *207.2296* 207.2296@1.2065344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9131 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 1 207.2296 *207.9105* 207.9105@1.2097641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 207.9105 *208.0323* 208.0323@5.7610183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 208.0323 *208.0484* C9 H8 N2 O4 110439 107308 140430 146311 66597 112028 99329 100930 79235 115978 175003 176913 64894 97448 115419 111835 97628 99417 144648 147540 142585 134748 94447 81971 53021 68030 111361 156865 53468 75110 181960 186791 103540 112917 121648 123991 101289 131868 90705 89233 93102 96080 119566 78358 75142 110681 109484 106354 122868 118372 106955 102243 107371 105308 70583 72251 133589 136232 65000 63730 137010 136914 125260 128000 135869 135059 232899 235545 162812 165368 191188 193366 79401 79478 128459 129610 99692 99473 112244 115150 124869 123435 108243 106305 202917 206109 163942 165164 107087 109079 208.0484 *208.0551* 208.0551@2.2993205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2307 1 1 1 1 1 1 1 1 1 1 1 208.0551 *208.0811* 208.0811@2.8324986 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0811 *208.0847* 208.0847@2.0612593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33550 34524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0847 *208.087* 208.087@1.7713016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.087 *208.0894* 208.0894@2.9838347 1 1 1 1 1 1 1 1 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 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 1 208.0894 *208.0928* 208.0928@2.100111 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 2215 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 10265 1 1400 1 1 1635 1531 2140 1246 1 2561 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0928 *208.0942* 208.0942@1.7665334 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9147 1 1 208.0942 *208.0948* 208.0948@2.1085489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.0948 *208.0958* C8 H16 O6 2201 1856 2298 2513 2460 1856 2207 2295 1602 2094 2465 2140 1097 2686 1610 1 5043 2517 1963 1 1 1 1 2059 1922 1 2063 1786 2330 2163 1 2209 1445 1714 2205 2515 2094 2044 1 1848 1889 1856 1 2560 2815 2487 2631 2641 3054 1 2756 1 2580 2525 2431 2657 2700 2912 1 2727 2224 1910 1 1753 2036 1879 1637 1685 2246 1 2086 1 1829 1651 1844 2132 2144 2016 12032 13456 2109 2239 1680 1753 1 1 1 1 1 1825 208.0958 *208.0979* 208.0979@1.7581235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5925 1 1 1 208.0979 *208.1043* 208.1043@2.0989313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3600 3646 1 1 1 1 1 1 1 1 1 1 208.1043 *208.1078* 208.1078@1.821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 208.1078 *208.1096* 208.1096@1.3039008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1096 *208.1138* 208.1138@1.2957716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1265 1554 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1138 *208.1218* 208.1218@6.8343883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 208.1218 *208.1234* C8 H20 N2 O2 S 1 1 1 1 4793 3688 2542 1 1 1 2053 1 1214 3504 1 1 1140 1 1 1253 1 1 1 1 1 1976 1 1 1 3032 1938 1 1939 1411 2180 1082 1469 1 1 1 4793 2763 1 1 1 1 2771 1 1 1299 2652 3239 2234 1 1 1 1 1 1 1 2915 1 1 1 3542 1 2705 3097 1580 1850 1168 1 1678 1950 4021 2812 2563 1 1 1 1 1 1 2501 2958 3036 1 1 1 1 208.1234 *208.1241* 208.1241@1.2465371 2534 1 1 1 1 1 1 1 2628 2090 1 1 1 1 1 1 1 1 1 1 1 1 2194 2641 1005 1 1 1 1 1 1 1 1945 3595 2445 3340 1 1 3343 1 1 1988 1 1 1 1 1 1 2043 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 2533 4704 1 3071 3870 1 4583 4169 1 1 1 1 1 1 2519 4607 3081 1 2173 1 1 1 208.1241 *208.1244* 208.1244@1.5015211 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 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 1 208.1244 *208.1274* C10 H24 S2 2602 1489 2622 1 8327 7240 2670 1 1713 1 1877 1774 2085 3012 1 1614 2898 2062 1 1 2262 2453 1 1 1 3950 1826 1 3184 2129 1 1 1 1 1 3175 1 1396 3139 3115 2465 3002 1492 1 2053 1827 1582 3037 2873 3107 1 2117 3806 3658 2404 2169 1560 1813 4419 1676 1 4773 1 1188 1 2425 2040 3667 4520 1 2069 2590 1 4046 1 4882 1053 3913 5271 8537 2265 3080 1 1 1 4170 1 1945 5501 20942 208.1274 *208.1293* 208.1293@1.5979997 3240 1 1 1 1 1 1 1 1 1 1 1 1 3309 1 1 2599 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 3488 1 1 1 1 1 1 1 1 1 1 1 1 1 3966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1293 *208.1308* 208.1308@1.1652889 1 1 1 1 1 1 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 1184 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 1115 5193 1 1863 1 1 1 1 1 1 1 1 3977 1 1 208.1308 *208.1363* 208.1363@1.2104111 1 1 1 1 1 1 1 1757 1 1 1 1 1123 1 1 1 1 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 1256 1 1 1952 1 5117 1 1 1 1 1 1 1 1 1 1 1 1 1 5894 5809 1 1 1 1 1 1 3324 1 4001 1 1 1 1 1 1 1 1 1 1 1841 2533 1 1 1 208.1363 *208.1412* 208.1412@1.1826713 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1412 *208.1461* 208.1461@1.205097 1 1 47640 1 1 1 1 1 1 1 1 71190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61582 1 1 1 1 33919 1 1 1 1 60476 1 1 1 1 1 36041 1 1 1 1384 1 1 1 31233 1 1 44495 44631 1 1 1 1 1 1 1 34819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1461 *208.1562* 208.1562@1.1205524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1562 *208.1582* C12 H20 N2 O 21797 21083 21999 22332 21428 23321 20903 21136 21793 22727 22589 21859 23102 21900 22734 20342 22313 20250 22079 22031 22136 21052 22120 18732 22628 21310 19972 21343 21767 21456 21689 21454 19580 19510 22382 23530 20725 22482 22573 22027 19817 19468 22215 20808 21184 21465 18520 18581 20728 18573 22848 20345 21132 18431 19443 19951 18313 18595 20151 20692 18291 17729 19355 19177 16929 17593 17045 17625 16922 18135 19891 17493 18799 18036 18355 18767 16916 17585 20259 19747 19728 18845 21591 21361 17396 17114 21006 20691 17984 18199 208.1582 *208.1713* 208.1713@2.1699922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1713 *208.1739* 208.1739@1.0667722 1 1 1 1 1 1 2365 2290 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.1739 *209.0438* C8 H7 N3 O4 4849 5554 7700 6874 4285 4073 5096 5264 4242 4165 7462 7734 5438 4943 5560 5696 7302 7387 5181 4877 1 5286 3999 3760 5866 5338 5644 5622 5344 5387 6514 6490 5422 5751 5878 5485 3374 3604 4864 5569 1012 6599 4768 5598 4047 4134 4894 4818 4541 5303 6119 6882 7546 7648 5493 5988 6384 1 3904 4306 1 1 7580 8062 12291 1 5620 1 7873 7562 8374 1 9002 8832 7565 8488 1 8363 6320 6828 7715 8660 1 10474 7250 6400 1 1 7440 6557 209.0438 *209.0463* 209.0463@5.4346833 1 1 1 1 1 1 1 1043 1 1 1 1 1 1 2441 2155 1 1 2777 2522 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0463 *209.0469* 209.0469@6.94971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1568 1607 1198 1062 1522 1 1247 1 1144 1439 1163 1 1 1045 209.0469 *209.0528* 209.0528@2.1391406 1 1 1 1 1 1 1 1 1 1 1 1 18828 1 1 1 1 1 1 1 1 1 1 3077 11247 1 30354 1 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0528 *209.0531* 209.0531@2.2522528 1 1 8640 1 48003 1 1 1 53751 15414 1244 1 22713 12012 1 4798 1 1 1 1 1 1 1 8980 8716 18275 46896 22901 9331 1 12222 1 1 1 8091 1 35833 1 68665 1 1 1 19153 54185 1 15687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2998 1 1 1 1 1 1 1 30836 33804 1 1 1 1 1 1 1 1 1 1 1 1 209.0531 *209.0533* 209.0533@2.5031877 1 1 1 1 1 1 1 1 1 1 2162 1 3076 1 1 1 1 1 1 1 1 1 1 1 1 1257 1 1 1 1 1 1 1 1 1 1 1732 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 1 1 1 1 1 209.0533 *209.0534* C7 H15 N O2 S2 5887 5236 9299 7998 8144 6750 1648 1702 9049 8747 8989 9788 5476 6876 4280 4990 1 1 6130 5872 2269 2342 3106 3647 5699 5043 15032 14027 3489 3599 6870 7630 46250 39442 4623 4754 5263 5661 13736 11223 1 1 7478 7379 7835 8572 3558 3367 1 3224 1 1 1063 2329 1 1 7099 7121 1 1 1 1 1 1 2268 2466 1 1 9933 9640 1 1 1163 1167 1 1 5876 5815 1 1 1 1 1 1 6733 8295 5128 5047 1 1 209.0534 *209.0536* 209.0536@2.5421207 1 1 1 1 1 1 1 1 1 1 6384 1 1395 1 1 1 1 1 1 1 1 1 1 1 1 6718 1 1 1 1 1 1 1 1 1 1 2216 1 1837 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2795 1 1 1 1 1 1 1 1 1 1 1 1 209.0536 *209.0577* 209.0577@2.876421 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1653 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 1743 4038 3231 1858 1 1 209.0577 *209.0583* 209.0583@2.0611732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6908 5350 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0583 *209.0613* 209.0613@2.9076335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1277 1 1 209.0613 *209.0709* 209.0709@3.883159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 209.0709 *209.0777* 209.0777@2.9699411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 209.0777 *209.0843* 209.0843@2.9536698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2446 1 1 1 1 1 1 1 1 1 1 1 1 209.0843 *209.0897* 209.0897@2.974042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2587 1 1 1 1 1 1 1 1 209.0897 *209.0915* 209.0915@2.9362218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 209.0915 *209.0965* 209.0965@1.5874375 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.0965 *209.1024* 209.1024@1.6791122 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.1024 *209.103* 209.103@1.4933175 1 1 1 1 1 1 1 1 1 1 1 1 1 11008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8401 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.103 *209.1034* 209.1034@2.2079158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1107 1 1 1 1 1 1 1 1 1 1 209.1034 *209.1038* 209.1038@1.5675277 1 1 1 1 2291 1 1 1 1 1 8912 1 2192 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7299 1 1 1 1 1 1 1 5145 1 1 6026 1 1 8721 2005 2078 1 1 2631 1 1 1 4038 1 1 1 1 1 1 1 1 2062 1 1991 1791 1 1 1 1 1 1 1 7202 1 1 1 1 209.1038 *209.1059* PROPOXUR 1 8176 1 1 5418 3762 7149 7821 1 1 4955 5025 1 2413 3568 3300 1 6957 1692 1803 3294 3495 1 1 4598 4598 1 18756 1 1 1 1466 2019 2447 6549 6162 1 1 1 1 3011 2142 1500 3000 19918 1 1 5315 1 9720 5366 4306 4634 8088 6933 5774 5492 6053 1 1 4759 4193 1 1006 4254 4724 8139 8387 4736 3361 7436 1 1330 1 1 1 7427 1 2740 1 9576 9097 1 11291 5204 5612 2616 2361 1 1 209.1059 *209.1103* 209.1103@1.3450811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.1103 *209.1126* 209.1126@1.6532874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 209.1126 *209.1146* 209.1146@1.2586265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.1146 *209.1249* 209.1249@1.277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 209.1249 *209.1378* 209.1378@1.2286093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1016 1 1 1 1 1 1 1 1 1 1 1 1 209.1378 *209.1435* 209.1435@1.2286294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1916 1 1 3370 1 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 209.1435 *209.1475* 209.1475@1.2269467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 3113 3119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3113 1 1 2083 1 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2839 1 1 1 209.1475 *209.1553* 209.1553@1.2323925 2821 3085 3098 2852 1 3286 3025 3034 3222 3225 4398 3963 3829 3652 3449 3372 2473 2694 1 1 3497 3825 3042 3153 1 3661 1 4273 3156 3575 2405 2300 3711 3186 3342 3489 3151 3529 1 3708 2619 3328 2997 3225 1 1 2478 2717 1 1 2782 5044 1 1 3039 2791 3256 3159 4108 4282 1 1772 2595 2645 3653 1 2985 2658 1 1 1 1 1 2987 1 1 1 1 6180 5969 2377 2747 3046 2911 3144 2389 1 2966 1 1 209.1553 *209.1646* 209.1646@1.2191274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3845 4017 1 1 1 1 1 1 3971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.1646 *209.1749* 209.1749@2.0385628 1 1 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 7850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 209.1749 *210.0582* 210.0582@2.2609706 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1995 1 1 1 1 1 1 1 1778 1716 1 1 3479 1 1 1300 1 1 1 1 1 1549 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 1 210.0582 *210.0616* 210.0616@2.2121096 1 1 1 1525 2454 3638 1 1 1 5061 3038 1 2256 1802 1710 1 1 1 1435 4268 1 1 1980 1 1 1 1 1179 1 1 1 2938 1 1 1 1 1 1 2487 1 1 1 1 1 2819 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 1 1 1 1 1 1 1 1 1 1 3013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 1 1 1 1 1 210.0616 *210.0675* 210.0675@2.1880116 1 1 1 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 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 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 3405 1 1 1 1 210.0675 *210.0773* 210.0773@1.2649655 1771 1 1 1 1 1 2114 1 4311 4325 1 1 1 1 4315 4560 1803 1 5912 5596 1 1 1146 1 1 1 3034 3082 1 1 3834 4554 1 2178 1 1 4156 4792 3441 3408 3611 4919 1 1 1685 1 4535 4853 1 1 2714 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 210.0773 *210.0781* 210.0781@1.621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 1 1 210.0781 *210.0922* 210.0922@2.16598 1 1 1 2599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 3157 1 1 210.0922 *210.0927* 210.0927@1.1396048 1 5265 3198 5050 1 1 1 1 1 4505 1 1 5674 1 1 1 1 3914 1 1 1 1 1 1 1 1 1 4319 1 1 1 1 4750 1 1 5089 1 1 5323 5685 1 1 1 5320 1 1 1 4300 1 1 1 4298 1 1 1 1 1 5409 5115 6561 1 1 1 4941 6432 6741 1 1 1 1 1 1 6394 3127 5919 1 1 1 1 1 5577 5632 4722 1 1 5591 1 1 5280 1 210.0927 *210.0931* C8 H18 O4 S 2472 1 1 1 5220 2681 1 2037 5057 1 4060 4856 1 2181 2902 2949 2687 1 1808 1513 5422 2587 1 4789 4095 4224 2379 1 4816 5046 4260 2162 1 4792 1 1 1 1 1 1 3676 3400 5521 1 4438 4597 1 1 2375 3866 1 1 2617 3954 3873 4588 5280 1 1 1 2878 2584 4005 1 1 1 2590 4714 4277 4357 4125 3967 1 1 1 5185 3752 4202 2481 3539 1 1 1 3680 5149 1 5661 5644 1 4898 210.0931 *210.096* 210.096@2.1360824 4114 1 1 1 1 1 1658 1 1 2365 1 1 3623 4653 1 1 1 1 5039 4052 1 1 1 3204 2518 3354 5543 1 1 1 1 1 3355 1 1 1 1 1 1 4655 1 1582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4312 1 1 2317 1 1 1 1 1 1 1 1 4769 1 1 1 1 1 1 3041 2301 1 1 1 1 1 2439 1 1 3298 1 1 1394 210.096 *210.0995* Glycyl-L-leucine 1 4564 5093 3868 5503 4963 4338 5807 1 1 12340 11789 1 1 2683 3034 3260 4182 1 1 5217 4496 2664 1 1275 1 7847 15715 3533 2956 9015 8973 1 3603 6494 5754 2955 2835 3483 1 4389 2906 4328 3735 1 1 4901 4989 7455 6122 2361 2770 3607 4930 2103 3099 1 1 2822 1 4591 2979 5127 4846 6312 7367 20661 18760 4478 1 7781 7140 3328 1437 1586 2748 1 1 456866 464425 7001 7184 2701 1 4967 4911 8380 8970 4084 1 HMDB00759 C02155 210.0995 *210.1008* 210.1008@2.9588015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10017 9284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1008 *210.1024* 210.1024@3.2735395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1024 *210.1055* 210.1055@2.3644347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1055 *210.1081* C15 H14 O 1 1592 1 1213 1975 6715 2257 6145 6756 5842 5379 4745 2624 6317 6851 7597 5866 6136 2160 1798 2195 1656 3792 6165 2372 7190 4220 5161 2967 3007 2055 1620 5222 1823 1 4876 4719 1 1274 4838 5341 1 1 1 1 1 4703 1 1 4565 1569 2603 2872 3669 1 1 1 3826 1 1 2207 2389 1383 4713 1243 1 1 1 1 1283 1 4865 1 1455 1 1 1289 3819 1502 2496 1836 1358 2065 1871 3092 3830 1 1 4111 1 210.1081 *210.1095* 210.1095@1.0796549 1 1 6731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5667 5398 1 3421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3996 1 1 1 1 1 1 1 1 6987 6297 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 210.1095 *210.1098* 210.1098@2.3689845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 2303 210.1098 *210.1102* 210.1102@1.4859905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 210.1102 *210.1135* N,N-Dimethyltryptamine (DMT) 3060 2560 3504 3650 3555 3365 3721 3909 2478 2480 3473 3738 3860 3556 2138 2141 3808 3991 4740 5040 2845 2856 2318 1 3435 2936 3926 4252 2186 2347 1864 1951 3492 3055 3898 3526 2563 2058 6055 4705 3078 2660 3779 3647 3255 3749 3193 3192 3267 2417 3240 3193 2713 2850 2529 2993 3550 3706 2568 2599 3750 3167 3910 3822 4696 4533 5069 5701 3231 3394 4110 3789 3778 2720 3260 2900 3988 3719 1904 1976 3920 3819 3926 4040 4229 4109 3179 3678 4582 4678 HMDB05973 C08302 210.1135 *210.1154* 210.1154@1.0747099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 210.1154 *210.1171* 210.1171@4.154819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1171 *210.1176* 210.1176@1.3915755 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 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 1 210.1176 *210.121* 210.121@1.4413098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2516 1 1693 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 5210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 1 1 1 1 1 1955 2258 1 1 210.121 *210.1238* 210.1238@1.472418 1 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 4839 4455 1 1 1 1 1 1 1 1 1 1 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 2129 1 1 1 1 1 1 1 1 2098 1 2418 1 1 1 1 1 1 1 1 1 2814 210.1238 *210.1239* 210.1239@1.4119741 4276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 6091 4798 1 1 1 1 1 1 1 1 23861 20446 1 1 1 1 8193 7277 1 3056 1 1 1451 2330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6121 1368 1 1 1 1 1 1 1 1 1 1 210.1239 *210.1284* 210.1284@1.4425882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1284 *210.1339* 210.1339@1.4149634 1 1 1 1280 1 2270 1 5572 1 1 3500 7066 3725 1 1 1 1 1 1 9079 10590 8877 1 1214 1 1 1 1 1 1 1 1 1 1 3865 5922 1 1 9597 9966 2170 1634 1 1 1 1 2973 3360 1495 1 1 1 1635 4888 1 1 3756 5424 1 1 4141 1 1 1 1 7044 4063 1 5202 6672 1 3072 3077 1 4177 1 1582 2700 1 1 5046 5895 1 1 11703 5035 1 3835 1 1 210.1339 *210.1363* 210.1363@1.2872877 1 1 1 1 46576 43142 1 15721 1 12829 1 1 29535 24970 1 1 1 1 1 1 1 1 1 15099 1 1 1 1 1 7745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8230 10860 9828 1 1 1 23565 11362 1 1 1 17330 1 1 1 1 1 1 1 1 1 1 1 27859 18988 20614 21165 17495 1 1 26584 1 15612 1 19004 22545 18787 1 31138 34055 14619 1 1 1 210.1363 *210.1364* 210.1364@1.4050732 1 1 1 1 17732 16064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 7180 1 1 1 1 2610 1 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 13643 1 1 1 1 210.1364 *210.1368* C6 H19 Cl N6 2747 2197 1 3826 7578 9145 22123 5657 14629 2747 5138 8163 4559 6415 1 1 4227 1 1 1 1 1 11488 2296 1 1 1 1 10827 2492 5347 3880 4780 21270 22387 23951 1 7024 19333 18621 16244 12767 1 2182 1 1 9161 8114 2626 7561 1 2118 9883 11546 17361 17348 20813 1408 10863 3617 10063 8150 1 1 9752 47060 18329 1 8726 15947 5171 4219 7317 6443 48129 50998 7484 30282 9766 1 2050 9763 7974 26386 16446 2419 4506 15766 1 1 210.1368 *210.1369* C11 H18 N2 O2 4736 4968 2440 4077 32656 30560 7379 8810 8206 9753 22387 20962 14366 13403 5745 4494 5435 7530 11139 14012 1 1 16476 10885 4125 2322 12809 1 11256 13008 3368 3304 16768 5904 8819 9229 22989 19616 13292 15037 11169 13367 7741 7197 1 2434 11578 8804 8281 8454 24172 23584 12153 25448 12317 11440 4547 5222 8269 9695 22592 20039 4673 6361 47018 12721 5586 22381 39034 8651 11120 10752 29001 33613 34557 40732 16924 16617 9804 10255 18750 12947 9489 7981 14294 10681 8844 8306 10462 9857 210.1369 *210.1379* 210.1379@1.2703942 1 1 5432 3004 1 1 1 1 1 1 7762 7863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2675 1 1 1 1 1 1 1 1 1 8922 8662 1 1 1 1 1 1 1 4383 1 1 1 1 1 1 1 1 1 1 1 1 1 10492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1379 *210.152* 210.152@1.2320775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6732 1 210.152 *210.1619* 3E,5E-tridecadienoic acid 84854 81176 162830 161055 85332 8452 99447 100859 119416 120677 266645 276259 104561 10594 106573 108630 67018 65083 10357 112750 85357 84828 111013 113058 146859 145654 236404 233267 133563 131476 127913 124625 153778 156652 254732 234992 408912 401111 138934 13324 163230 163300 252052 253068 571216 558936 137728 141366 103809 107778 96436 96272 8713 8842 166101 171688 9493 9965 92329 94628 80742 6749 104492 101265 7011 80403 86277 8726 100252 102961 80488 80380 112876 114773 4097 5656 66985 7003 86753 105846 6804 7324 158813 155969 4910 1 154854 156400 1 4406 210.1619 *210.2232* 210.2232@2.1344216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5999 2596 1 1 1 1 1 1 1 1 1 1 210.2232 *211.0152* 211.0152@1.3060158 1 1 1 1 2539 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.0152 *211.0674* 211.0674@5.0846815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3658 3212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.0674 *211.0675* 211.0675@4.963352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.0675 *211.0823* 211.0823@1.2856613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.0823 *211.0863* 211.0863@5.8457503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 211.0863 *211.0958* 211.0958@2.9552517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 211.0958 *211.0959* 211.0959@7.8830905 1 1 1 1 1 1 1 1 1 1 2177 1579 1 1 1 1 1 1 1075 1538 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2901 2755 1 1624 1 1 1256 1320 1666 1829 1 1 1 1 1 1 4008 5026 6332 5693 7798 7299 1 1 1889 1923 1543 1720 1 1 211.0959 *211.0965* Zalcitabine 6046 6315 5796 5338 5682 5387 1 1 5973 5897 6617 1 6480 6064 1 1 7589 7464 9415 1 7120 6059 1 6433 4012 3974 8011 8590 1 1 9337 1 7678 7177 7148 6907 1 1 7451 8989 8498 8695 1 5525 5621 1 1 1 1 1 5862 5995 9261 9612 5300 5620 3206 5720 1 8795 1 9799 1 7267 7599 7345 4363 1 9578 1 8520 8015 6164 1 6728 6412 8818 8190 7555 6392 9106 7423 5385 4665 1 8610 6853 6778 1 1 C07207 211.0965 *211.0991* 211.0991@2.470322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 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 1 211.0991 *211.1001* 211.1001@2.9532368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1449 1141 1 1 1 1 1 1 1 1 1 211.1001 *211.1013* 211.1013@7.8839607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1013 *211.103* 211.103@2.031101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 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 1 211.103 *211.105* 211.105@2.957983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 1 1 211.105 *211.1068* 211.1068@2.033612 1 1 1 1 1 1 1 1 1 1 1239 2055 1 1 1 1 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 1847 1 1041 1 1 1 1 1 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1126 1516 1 1 1 1 1584 1605 1 1 1 1 1 1 1 1 1310 1299 1 1 1876 1946 2016 2018 1 1 211.1068 *211.1073* 211.1073@2.1344912 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 211.1073 *211.1117* 211.1117@3.6514723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 211.1117 *211.1149* 211.1149@2.117858 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1149 *211.1156* 211.1156@3.6940398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1923 1 1 1 1 1 1 1 1 1 1 1 1 211.1156 *211.1377* 211.1377@1.3573061 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1377 *211.1409* 211.1409@1.8507826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1871 1 1 1 1 1 1 1 1 1 1 1 1049 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 1 2855 1 1 1 4789 1 10223 1 211.1409 *211.1411* 211.1411@1.8236163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3880 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1411 *211.1415* 211.1415@1.808665 1 1 1 1 1 1 1 1 3525 1 1 1 2071 1 1 7700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15886 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 1 211.1415 *211.1425* 211.1425@1.3295146 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1425 *211.1493* 211.1493@1.3262978 1 1 1 2598 1 8206 1 1 1 1473 3537 3184 1 1 1 1 1 1 1016 3772 1 3558 1 1 1 1 1 1 2777 1 1 1 1 1 2054 1 2886 1 1 1 1716 1529 1 1 1 1 1 1 1 1 1735 1854 1 1 1 1947 1 1 1417 1 6318 1 1 1 1 2609 1387 1 1 1 1 1 1872 1 1 1 1 1 1 2320 1 1 1 2403 1 1 1470 1941 1 1 211.1493 *211.1546* 211.1546@1.3455701 1 1 1 1 1 1 1 1 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 10313 1 1 1 1 1 1 1 1 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 1 211.1546 *211.1575* C8 H17 N7 1118 7609 12331 2923 1033 1 8280 7517 8317 7869 25700 25628 8029 8164 6557 9311 5322 1569 11352 10800 6189 5219 6631 8813 13833 12771 40904 24072 6602 8829 1 1773 8856 9136 1 10019 1 18255 8897 8820 10208 10783 1 1 40518 36818 1 1 8526 7870 5514 5578 7048 6782 15348 16079 5867 6152 7242 7939 1 5874 6812 6550 7681 8634 6818 6395 6315 10368 8781 9767 6262 5243 1418 5324 6730 1 10406 9477 8850 11268 14113 13167 5798 6561 11010 10383 6050 4187 211.1575 *211.1591* 211.1591@1.1284168 1 1 1 10745 1 1 1156 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 8570 1112 1 1 1 1690 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1397 1 1 1 1 1 1 1 1 1574 1040 1 211.1591 *211.1665* 211.1665@1.099722 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1665 *211.1819* 211.1819@1.135505 1 1 1 1 1 1 1 1 1 1 2969 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 1 1 1 3296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 211.1819 *212.0295* 212.0295@3.1273031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 3040 1 1 1 1 212.0295 *212.0499* 212.0499@2.026049 1 1 1 1 1 1 1 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 1599 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0499 *212.0531* 212.0531@2.0243838 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0531 *212.0617* 212.0617@1.9833995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 212.0617 *212.0669* 212.0669@1.2783669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0669 *212.0712* 212.0712@1.0212287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0712 *212.0854* 212.0854@4.7968445 1 1 1666 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.0854 *212.0943* 212.0943@1.7533908 1 1 1 1 1 1 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3641 1 1 1 1 1 1 1 5164 1 1 1 5380 1 4335 1 1 1 1 2122 1 1 1 1 1 5499 1 1 1 1 212.0943 *212.0951* 212.0951@1.7088711 1 1 1 1 11549 1 1847 3725 1 2198 8455 1 6518 10970 3574 1 1 1 2186 1 3964 3610 2854 3827 1 1 1 1 1 1 3553 1 4358 1 1 1 1 1 1 4627 1 4115 1 1 1 1 1 1 1 1 1 1 11599 9485 1 1 2670 1 1277 3969 1370 1 1 1 1 1 1 1 2726 4587 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 2670 7900 1 5762 212.0951 *212.0975* 212.0975@1.8486665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 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 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 1 212.0975 *212.0981* 212.0981@1.7662811 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 4210 1 1 1 212.0981 *212.0989* 212.0989@1.7953908 1 1 1 1 1 1 1059 2432 1 4231 1 1 7085 1 1 1 1 1 1 6105 1015 1965 1170 2902 1 1 1 1 1 1 1 1 1 1 1 1 2796 1 5650 1 1709 1311 1 1 1 1 1 1 1 1 1 1 1 1488 1 1 1 3944 1 1 4506 1 1 1 1 1 1 1 1 1 1 1 7045 1 1865 1 1 1874 1 1 1 1 1 1 1 1 2577 1 1965 1 212.0989 *212.1033* 212.1033@1.7985326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2330 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 1 2445 1 2085 1 1 1 1 2929 1646 4744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1 1805 1 2113 1 1 1 1 1 1 1263 7599 3922 1 1 1 1 1 1 1 2465 1 1 1 1 1 1 1 1 1 1 1 1 212.1033 *212.1034* 212.1034@4.112057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3003 3198 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1615 1 1232 1 1 1 212.1034 *212.1085* 212.1085@2.1528296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11678 1 1 1 1 1 1 1 1 1 1 1 212.1085 *212.1085* 212.1085@1.8282416 1 1 1 1 1 1 1 1 1 1 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 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1085 *212.1099* 212.1099@1.7804788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 212.1099 *212.1147* 212.1147@2.2490764 1 1 1 1 1 1 1 1 1 1 1 2101 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 1 1 1 1 1 1 1619 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1147 *212.1148* 212.1148@1.3648562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2171 1 1 1 1 2110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2445 2955 1 1 1 1 212.1148 *212.1152* 212.1152@1.9795481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17050 15845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2362 1 1 1 1 1 1 1 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 2179 1 1 1 1 1319 1 1 1 212.1152 *212.1155* Pro Pro 3620 3860 2072 2868 3523 4902 7114 7857 5403 5460 5404 3273 3281 4422 7836 9527 4705 5045 9959 9390 1460 2475 1918 1 2439 1 12547 10538 1 1 1 1 5662 6604 3202 2721 3964 4558 8990 7836 13873 15153 1 1914 2188 1 15549 15755 3511 3493 1792 1487 3651 4287 1 1 3441 1 2547 1 1 3754 1 1 5728 4414 6628 6831 16786 16616 6257 6114 1 1905 2943 3513 4693 4193 1 1 5110 4315 1 1 2390 4721 1 2092 2870 2598 212.1155 *212.1172* 212.1172@1.1715049 1 1 1 1670 1 1748 1 1 1 1 1 1 1 1 1200 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 1 1 1 1 1 1 1 1 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 1 1 1 1146 1 1 1 1 1 212.1172 *212.1186* 212.1186@1.2579378 1 1 1 1 1 1118 1 1 1 1 1 1 1181 2721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 12228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1186 *212.1245* 212.1245@1.3116155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1799 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4016 4507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1245 *212.1275* 212.1275@1.7806195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 212.1275 *212.1305* 212.1305@1.2056763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1305 *212.136* 212.136@1.1621736 1 1 1 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 7623 1 1 1532 1 8581 1 1833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5820 1 7801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 2187 1 1 1 1 1 1 1 1 1 1 1 1819 212.136 *212.1373* 212.1373@1.251874 1 1 1 3809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 212.1373 *212.1431* 12-oxo-10Z-dodecenoic acid 2704 2063 2906 3001 2537 2356 2412 3006 2758 1 1 2918 1059 5536 1 3581 3471 1334 2638 2467 3220 3297 5799 3512 6806 5979 2970 1757 3035 2866 4042 2631 2881 3225 2645 2281 2481 2158 2462 2272 1 1 2206 1 2473 2629 1 1 3550 1 3106 3242 3671 4383 1562 1594 3329 3358 1 1 1705 3771 1 1 1 1 2013 1 1 1 1 1 1 1372 1 1707 1 1 2128 2449 1 1 1 1 1 1479 1 2098 1 1 212.1431 *212.1433* 12-oxo-9(Z)-dodecenoic acid 8392 2674 1 5931 1 1 1 4545 2545 1 1 1 1 2568 1691 2267 1 1405 1 1 3718 1 7474 3216 1 1 1 1353 1 1 3371 3397 2937 1 1 2965 1 1 4006 3569 1 12781 1 1 1 1 1 1 4140 2468 1 1 1 1 1 1 2802 3333 1 1 1 1038 1 2649 1 2886 4762 2734 1 3737 1 3224 3289 7135 1 1 1 1 4044 4386 1 1 1 4104 3002 1 3545 3736 1 1 212.1433 *212.1468* 212.1468@1.2105364 1 1 1 1 1 1 2499 1 1 1 1 1 1 1 1 1 1 1 1 3475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 1 1 4690 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 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3615 1 1 1 1 212.1468 *212.148* 212.148@1.4941376 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 1 1 1 1 1 1 1 1 1181 1774 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 2934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 212.148 *212.1483* 212.1483@1.2138584 1 1 8080 6288 4663 6024 1 1 1 1 1 1 1 1 1 1 1 1 3658 1 1 1 1 1 5378 5848 1 1 1 1 1 1 1 1 1 1 9107 9696 1 1 1 1 1 1 1 1 4853 5452 1 1 1 1 1 1 1 1 1 1 7644 4788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6604 6487 1 1 1 1 5029 4472 1 1 1 1 1 1 1 1 212.1483 *212.1877* 212.1877@2.2265213 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1877 *212.1884* 212.1884@2.194772 1 1 2496 1 1 1 1 1 1 1 3662 3073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4228 3873 1 1 1 1 1 1 1 1 2329 1076 1 1 1 1 1 1 5952 4509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 212.1884 *213.049* 213.049@2.2407675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9010 1 1 1 1 1 1 1 1 1 1 1 213.049 *213.0516* 213.0516@2.1374216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4464 5864 1 1 1 1 1 1 1 1 1 1 213.0516 *213.0678* 213.0678@1.701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20010 1 1 1 1 1 1 1 1 1 1 213.0678 *213.0825* 213.0825@1.3732858 1 1 1932 2129 1 1 1 1 1 2003 1 1 5143 4790 1 1 1277 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 4307 3967 1 1 1 1 1 1 1 1 1 1 3605 3108 1 1 2631 3038 1 1 1 1 1 1 1 1 1 1 2564 3300 1 1 1 1 1 1 1 1 7285 7354 1 1 1 1 1 1 2533 3026 213.0825 *213.0825* 213.0825@2.2829287 1 1 1 1 1 1 1 1 9218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0825 *213.0826* 213.0826@2.1886287 1 1 226654 225085 1 1 1 1 31993 42204 1 1 81296 86501 1 1 49175 50423 1 1 90816 90518 1 1 6824 6745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65682 66490 1 1 1 1 20352 20531 1 1 1 1 258414 256527 1 1 270786 270715 1 1 1 1 1 1 1 1 1 1 76241 80436 1 1 58316 60046 1 1 1 1 443708 450460 1 1 1 1 1 1 117741 125525 213.0826 *213.0852* 213.0852@1.2752441 1 1 1314 1243 1 1 1 1 2167 1 1 1 1201 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1 1 1508 1709 1 1 1 1 1 1 1 1 1 1 1830 1606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0852 *213.0893* 213.0893@1.2576003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.0893 *213.1026* 213.1026@1.5243288 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 213.1026 *213.1069* 213.1069@2.1324239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1493 1196 1 1 1 1 1 1 1 1 1 1 213.1069 *213.1125* 213.1125@2.1631157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3340 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 213.1125 *213.117* 213.117@2.1671114 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 2661 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 213.117 *213.1333* 213.1333@4.560502 1 1 1 1 1 1 1 1 1 1 1688 1 1 1 1 1 1 1 1 2008 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1661 1866 1 1 1 1504 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3629 1 1 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 1 1 1 213.1333 *213.147* 213.147@2.8947678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9542 9140 1 1 2205 2265 1 1189 1 1 1 1 4779 5271 1 1 2153 2280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 2383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.147 *213.1594* 213.1594@1.1547341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1000 1 1 1 1 1 1 1 1 1 1 213.1594 *213.1703* 213.1703@1.1460252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 213.1703 *213.1726* C12 H23 N O2 1 9693 1 1225 10718 7619 9467 12949 14303 10813 1 1296 7695 8053 12299 1 6311 6716 10057 9946 8978 1 1 13581 1650 18719 2193 2444 10209 10049 11466 7187 1 1 1 1 1 1 11988 11946 19978 1 1 1 2706 2562 1 1 8871 1 1 1 11727 12783 1 1221 8774 8766 11531 11533 6983 9330 1 9197 12048 11892 1 1 7489 7588 13939 13033 20408 12386 7766 10050 12228 9469 28326 24576 1 13648 28868 1103 10912 10358 1 21621 8030 5837 213.1726 *213.2045* 213.2045@2.1806219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 2117 1020 1 1 1 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 1 213.2045 *214.0089* C8 H13 Cl3 1 1057 3600 3175 3938 3543 1 1 3075 3113 3731 3674 1 1250 1 1 1 1 1 1517 1 1 1 1 2132 1 4427 4473 1 1 2332 2360 1430 4200 1 1581 1 1343 3805 3976 1 1 3080 3161 2050 1978 1 1 1 1 1 1 1 1 1 1 1843 1769 1 1 1 1 1 1 1 1 1 1 2644 2855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2310 2256 1 1 1 1 214.0089 *214.0089* 214.0089@2.0296056 1 1 1 1 1 1 1 1 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 1 1 1 1 214.0089 *214.0098* 214.0098@1.4514523 1 1 1 1 1 1 1 1 2357 2535 1 1 2039 2224 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 1 214.0098 *214.0482* 214.0482@1.9804742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5319 3428 1 1 1 1 1 1 1 1 1 1 214.0482 *214.0567* 214.0567@3.243661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 3412 1 1 2299 1 214.0567 *214.0574* 214.0574@2.9272962 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1817 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 2431 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0574 *214.0578* C3 H11 Cl N6 O3 1 1 2902 2887 2127 2304 1993 2393 1 1986 2484 2604 1 1 1 1 1307 1 1399 1744 2026 1 1537 1 1 1 3665 3056 1 1 1425 2150 1913 1 1673 1741 3403 3152 4270 1010 2060 2973 1 1 1 1974 2660 2344 2628 2652 2895 2516 1 1 1 1 1 1 2171 1721 7459 7542 3632 4428 2638 3327 4344 4330 3814 3347 1 8644 1 1 2782 2424 5927 1 5592 2394 4780 5101 4285 1 11063 7409 3837 4017 2080 4224 214.0578 *214.0669* C5 H15 Cl N4 O S 1 1 1 1 1 1 1 1 1 1 1 1 2172 2617 1 1 1504 1 1496 1283 2270 2024 1482 1 1444 1 1 1929 1 1 2361 2293 1 1 1 1 1 1 1 2551 1 1 1 1 1938 2305 1 1299 1435 1 1686 1 2135 1 1687 1 3054 3259 2661 1 4136 3951 1399 1606 4926 5650 1 2728 1 1 1 1 2477 1988 1984 2234 2158 1 109088 111486 1 1 1074 1 1 1 1 2027 3681 3373 214.0669 *214.0686* 214.0686@1.6461158 1 1 1 1 1 1 1592 2022 1 1 1 1 1 1 1 1 1 1412 1 1 1 1 1 1 1 1 1531 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1 1 1 2050 1 1 1 1 1 2567 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 2449 1 1 1 1 1 1326 1842 1 2253 1 1 1 214.0686 *214.0692* 214.0692@2.9299288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0692 *214.0745* 214.0745@1.6568779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1609 1 1 1 1 1 1 1 1 1 1 1 1 1 2295 1 1 1 1 214.0745 *214.077* 214.077@2.1818788 1 1 1 1 1 1 1 1 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 2292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.077 *214.0847* 214.0847@1.435257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0847 *214.0875* 214.0875@2.2618804 1 1 1 1 1 1 1 1 1 1 1 1 4241 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0875 *214.0942* 214.0942@2.5325575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 214.0942 *214.0951* 214.0951@2.5687594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 2640 1 1 1 1 1 1 1 1 1 1 214.0951 *214.0971* 214.0971@2.2368815 1 1 1 1 1 1 1 1 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 5247 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0971 *214.1024* 214.1024@2.2397616 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 2811 1 1 1 1 1 1 1971 1 1 1 1 1346 1 1 1 1 1 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 1532 1 1 1 1 1 1 1 214.1024 *214.1119* 214.1119@1.3545849 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2423 1 1 1 1 1 1 1 1 214.1119 *214.1167* 214.1167@1.3418268 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 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 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 1 1108 1 1 1 214.1167 *214.1192* 214.1192@1.2972255 1 1591 2179 1 2840 2219 1 1 2096 1 1687 1 15161 1 1 1 1 1 1 1 1842 1 13356 1 1 2511 2396 1 2787 2151 1 1 2439 10633 1 1073 1 11188 1 1 1 1 1 1 1 1 10459 1 1 1 7331 46288 1 1 1 1 1 1 1 2054 1 1 1 1 1 1 1 1 1 1 6739 1 11700 9272 1 1 1 1 23944 1525 1 1 2022 1 8678 7572 9428 1 25531 1 214.1192 *214.1233* 214.1233@1.1509488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 12156 1 1 8273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1949 1938 12460 4600 1 1 14200 1 1 1 1 1 1 1 1 1 1 1 11831 13724 1 8225 1 1 1 1 1 1 1 1 2139 2192 3380 9805 1 1 1 10240 1 1 214.1233 *214.1281* 214.1281@1.2316744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14246 1 1 1 1 1 1 11460 1 1 1 1 1 1 1 214.1281 *214.1299* 214.1299@7.4930844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 214.1299 *214.1299* 214.1299@2.9009101 1 2164 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3162 1 2714 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1299 *214.1309* 214.1309@1.2231671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22873 1 1 1 1 1 1 1 19147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14679 1 1 1 1 1 9483 9677 1 1 1 1 1 1 1 1 214.1309 *214.1314* 214.1314@8.208293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 214.1314 *214.1317* Pro Val 6319 4093 7312 8188 1 1 1 1 2664 3836 13161 13358 1 1 1 1 3149 2420 1 2031 2331 1100 3362 1927 1798 1 6210 6153 1 1 1 1 1 1 2907 1253 10981 10349 1 1 1 1 20184 20158 2680 2636 4851 4880 1 2526 1 1 1 2834 5249 5084 6121 2752 19829 17052 1 1 1 1 1 1 1 1 2015 1 1 1 2672 4642 1 1 1 1 1 1 5196 4821 1 1 1 1 2040 1 1 1 214.1317 *214.1352* 214.1352@4.3054447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18129 19521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1352 *214.1388* 214.1388@1.169098 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1015 1 1 1 1 1 1 11299 3333 1133 1 1 1 1 1157 4126 4155 1 1 1 1 1 1 1285 1 21559 18567 1 1 1 1 1 2109 1 1 2955 3348 11598 37677 1 1 1 4981 1 1 1654 2425 1 1816 1178 1 1471 1 4622 2118 2088 1 1 1394 3735 3266 1 1124 1 1734 1 3747 2044 2679 1 1 1 1 1 1107 214.1388 *214.141* 214.141@1.1869578 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 3079 9339 1 1 1 1 1 1 1 1 1 3071 3036 1 1 1 1 1 1 1 1 1 1 38120 13276 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 5145 1 11355 10930 1 1 1 1 1 1 214.141 *214.1439* 214.1439@4.2154393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 214.1439 *214.1463* 214.1463@1.200021 1 1480 1 1 1259 1 1 1 1357 1 1 1 1427 1 1 1 1552 1 1 1 2386 1 1 1 1 1 1 1 1 1 1 1 4043 1 3735 1 1 1 1 1919 1 1 1 1 1 1 1 1708 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 3076 1666 1898 1 1 1 1 1 1996 1 2176 2628 1 1 2569 1 4842 3067 1 7778 1 1 4153 2047 1 5494 1 1 214.1463 *214.152* 214.152@1.1983545 1373 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 1933 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 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 1 1 1 214.152 *214.1595* 214.1595@1.9188672 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1595 *214.1613* 214.1613@1.6360884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2058 1 1 1 1 1 1 1 1 1 1 214.1613 *214.1614* 214.1614@1.2012484 1 1 1 1 1 1 1 1389 1 1558 1 1 1 1059 1404 1 1 1 2043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 6073 1 1 1 1 1 1855 2343 1 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 1 214.1614 *214.1647* 214.1647@1.2005911 1 1 1 1 1 1 1 1 1 1 1 1 2580 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.1647 *214.1669* 214.1669@1.8459536 1 1 1 1 7473 3455 1735 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 5623 8042 1 1 1 1 1 5070 1 1 1 1 1 1 3283 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 1 214.1669 *214.1678* 214.1678@1.6719363 1 1 1 1 4557 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 19114 13965 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 1 1 1 1 1 1 1 1 1 1 1 214.1678 *214.2431* 214.2431@1.2300246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2202 1 214.2431 *214.9708* C7 H5 N O3 S2 3808 3723 23069 26394 3474 4613 5945 5622 8148 8682 28851 29343 17436 18029 6075 5736 11466 11551 11434 12541 14726 15172 9878 10241 13927 13169 14168 12999 30554 30014 7482 7169 1 1 7798 7719 22101 25132 2180 2575 4645 4487 54971 60880 15713 14618 23862 22293 3947 3807 4702 4285 8872 8402 15189 15576 19880 20485 9654 9053 5928 5912 21568 22211 11117 11182 1 1 15836 15402 45253 45590 4433 4565 4866 4526 9431 9764 19434 21253 12436 12001 9110 9542 18867 15762 4647 6289 2693 3139 214.9708 *215.0584* 215.0584@3.1600466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5094 1597 1 1 1 1 1 1 1 1 1 1 215.0584 *215.064* 215.064@5.6809306 1 1 1 1 1 1 1 1 2866 1 1 1 1 1 1 6375 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 3760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2454 1 1 1 1 1 1 1 1 5485 1 1 1 1 1 4374 4865 1 1 4928 215.064 *215.0687* 215.0687@2.316372 1 1 4798 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 1406 1 1 1 1 1 1 1 1 215.0687 *215.0756* 215.0756@5.8437457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 2807 2669 1 1 1 1 1936 2212 1565 1614 1803 1547 1373 1212 2374 2327 1375 1230 1876 1855 215.0756 *215.0756* 215.0756@2.2815013 1 1 2415 4233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3517 3265 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1639 4982 1 1 1 1 1 1 1 1 215.0756 *215.1253* 215.1253@2.1771672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 215.1253 *215.1256* 215.1256@1.3319492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 215.1256 *215.1286* 215.1286@1.6342653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1286 *215.1314* 215.1314@2.153259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1314 *215.1317* 215.1317@1.2436861 1 1 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1317 *215.1359* 215.1359@1.2172532 2602 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 1 1 1 1 1096 1 1 1 1 1 1017 1 1 1 1614 1 1076 2306 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 1349 1391 1 1318 1 2366 1 1 1 1 1 1 1 1 1 3269 1 1 1 1 1 1274 1 1 1 1 215.1359 *215.1403* 215.1403@1.2979299 1 1 1 1 1 1 1 1 1 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 1089 1 1 1 1 1 1 1 1324 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 2134 1 1 1 1 1 1 1 1 1 1 1 215.1403 *215.1407* 215.1407@1.1543899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1407 *215.1472* 215.1472@1.1066791 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1472 *215.1488* 215.1488@1.299689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2693 1 1 1 1169 1 1 1 1 1 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1295 2165 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1488 *215.1499* 215.1499@1.333406 1 1 2920 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1507 1 1 1 1 1 1550 1 1 1722 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 1 1 1 1 1 2900 1 1 1 1 1 1 1051 1 1 215.1499 *215.1499* 215.1499@1.6265451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 1093 1 1 1 1 1 1 1 1 4182 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 1 1 1 1 1 1 1 1 1713 1 4122 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1499 *215.1505* 215.1505@1.6051512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2266 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 1432 3161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1505 *215.1601* 215.1601@1.281818 1 1 1 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 6660 1 1 1 1 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 1 1 9281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1601 *215.1638* 215.1638@1.2239776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 3591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1638 *215.1701* 215.1701@1.340741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 215.1701 *215.1726* 215.1726@1.215414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4095 1 1 1 1 1 1 1 1 1 1 1 1 1 8083 6575 1 1 1 1 1 1 1 1 1 1 1 2284 1 1 1 1 4458 6645 1 1 1 1 1 1 1 1 2735 1 1 4948 1 1 5441 1 3629 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2745 2882 215.1726 *215.1738* 215.1738@1.2112777 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 1 1 1 1 1 4273 3866 1 1 1 1 1 1 1 4475 1 5793 1 1 4348 4297 1 1 3568 3350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1738 *215.177* 215.177@1.2103485 4065 4548 1 1 3990 3644 5430 1 5054 4641 1 1 1 4492 3795 4264 1 4281 1 1 1 3775 6483 7468 1 1 1 1 5749 5515 1 1 1 1 6500 1 1 1 4799 4991 11392 7676 4640 1 1 1 3617 3309 1 1 1 1 1 1 1 1 1 1 1 5902 1 1 5012 1 4915 1 1 1 1 1 1 1 4693 4995 1 1 4049 4067 1 8115 6597 6680 13682 9661 1 3901 6531 6954 1 1 215.177 *215.1836* 215.1836@1.2095608 1 1 6831 6936 1 1 1 5113 1 1 1 17752 1 1 1 1 4369 1 1 1 1 1 1 1 10055 8363 15610 15286 1 1 1 1 1 1 1 6248 13553 14003 1 1 1 1 1 4597 25436 25140 1 1 1 1 1 1 1 1 11538 15012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1836 *215.1883* 215.1883@1.2114024 1 1 1 1 1 1 1 1 1 1 44384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 215.1883 *216.0089* 216.0089@1.869025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26843 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 1 216.0089 *216.0282* 216.0282@1.0197176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0282 *216.0648* 216.0648@1.2866758 1 1 1 1 1 1 1 1 1 1 1 1 6049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0648 *216.0651* 216.0651@1.2789379 1 1 1 1 1 1 1 1 1 1 1 1 1 6082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3919 2551 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 1 1 1 1 1 1 216.0651 *216.0833* 216.0833@1.2756308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.0833 *216.0873* 216.0873@2.9871857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4858 4035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0873 *216.09* 216.09@2.0084467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.09 *216.0938* 216.0938@1.31375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0938 *216.0939* 216.0939@1.9802594 1 1 1 1 3107 2500 1 1 1 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 3124 1 1 1 1474 1 3013 1 1 2478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0939 *216.0939* 216.0939@2.9970646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 3311 1 3017 1 1 216.0939 *216.0953* 216.0953@5.6162415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0953 *216.0972* 216.0972@1.7542866 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 12531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6181 1 1549 1034 1 13669 8775 1 1 1 1 1 1 7565 216.0972 *216.098* 216.098@4.581786 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.098 *216.0983* 216.0983@0.87698066 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 2612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 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 1 1 1 216.0983 *216.0983* 216.0983@3.1949728 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0983 *216.0986* 216.0986@5.4774356 1 1 1786 2160 1 2024 1 1 1824 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 2259 1 2488 1868 1 1 1 1 1 1 1 1 1204 1 1 1661 1 1 1 2005 1 1081 2423 1 1 1 1 1 1641 2539 1 1605 1437 1 1 1 1 1 1 1 1219 1 1 1415 1 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0986 *216.0989* 216.0989@0.7684169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3989 1 1 1 1 1 1 1 1 1 1 1 216.0989 *216.0989* 216.0989@1.8505409 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0989 *216.0992* 216.0992@0.6644152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2102 1 1 1 1 1 1 1 1 1 1 1174 216.0992 *216.0994* 216.0994@1.29684 1 1 1 1617 1 1 1 1 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 11150 11222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 1 1 1 1 4812 1 1 1330 1 1 1 1 1 1 1 1 1 1 1481 1 1302 1 1 1 1 2281 1 1 1 2199 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 216.0994 *216.1001* 216.1001@1.1153716 1 1 2055 5647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 11779 7016 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 1 1 1908 4188 1 7178 1007 1 1 1 1460 1 1 1 1 1 1 1 1 1 5197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3408 216.1001 *216.1002* 216.1002@1.4786302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1002 *216.1009* C11 H12 N4 O 10150 8700 9018 3419 5892 4745 6332 7631 8066 6821 7552 8376 7532 7594 6598 6197 7774 7890 7896 5196 5360 6552 8615 6285 6373 14281 6895 6694 6367 6462 4872 4085 6082 5392 6636 6434 8110 6649 6941 10048 5785 4878 6547 6000 6260 7810 7992 5980 6008 7570 4015 5153 1 4437 4992 5257 4143 7193 1279 5946 1 6136 6586 7363 1 8940 5847 6962 5895 6484 5588 5453 6406 1426 8827 8470 7300 8144 1423 9225 12716 6243 5090 6455 8207 6669 6718 9674 8658 3663 216.1009 *216.1062* 216.1062@1.0581799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1062 *216.1409* 216.1409@8.412381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 216.1409 *216.1421* 216.1421@6.812421 1 1 1 1 1 1 1521 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1111 1294 1216 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1586 2261 1 1 1 1 1487 1430 1819 1139 1664 1360 1 1 1 1670 1 1031 1 1 216.1421 *216.1546* C12 H24 O S 1 1 1 1 4279 3073 1 1 1 1 1 1 1 1 1 1 2715 4835 1 1 10231 10241 33359 33432 1 1 1 1 1 1 35153 31771 17896 19043 8373 7994 15414 14816 3359 4755 29956 28884 3532 1 1 1 5787 6247 5272 9127 33593 31844 79812 79908 8258 8356 14314 11840 4596 4649 2763 3155 5670 5891 6252 7361 6533 5604 15648 16073 7012 7042 10240 11331 20610 18643 3625 3917 9061 10372 20390 17690 30826 32009 6167 6905 13686 16028 13636 15804 216.1546 *216.1629* 216.1629@1.2068468 6166 6388 3788 3742 1 1 1 4325 4907 4522 1 1 1 1 4921 3803 1 1 4813 4727 1 1 1 1 1 5793 1 1 10245 9657 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1629 *216.1707* 216.1707@1.2092254 1 1 1 1 1 1 3687 1 1 1 4369 3536 5824 5681 1 1 1 1 1 1 1 1 1 1 5761 1 5958 6463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1707 *216.1779* 216.1779@1.2084572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3887 4196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.1779 *217.0424* 217.0424@3.077973 1 1 2083 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.0424 *217.0956* 217.0956@2.9685762 1 1 1 1 3682 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4465 4087 1 1 1 1 1 1 1 1 1 1 4958 5149 2925 5075 1 1 1 1 1 1 2554 2364 1 1 6164 6587 1 1 1 1 10031 10336 1 1 1 1 7359 7307 13392 14013 16939 17200 9093 9322 6408 6052 2773 3321 5303 4792 217.0956 *217.1035* 217.1035@5.848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 217.1035 *217.108* 217.108@1.2503183 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3717 2609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.108 *217.109* 217.109@1.7935945 1 1 1932 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 2092 1 1 1 1 1 1 1 1 1 1 1 1 2043 1 1 1 1 1 1 1 1 1 1 1 3142 1 1 4523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.109 *217.11* 217.11@1.7976496 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 1 1 1 1 1 1 1 1 1 1 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 1 217.11 *217.1101* 217.1101@1.5569342 1 1 1359 1131 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4956 5531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1715 5411 4689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1101 *217.1153* 217.1153@1.1300254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1153 *217.1216* 217.1216@1.1323154 1 1 1 1 1 1 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 1 1 1 1 1 1 217.1216 *217.1296* 217.1296@1.1628718 1 1 1 5132 1425 2529 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 1322 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1296 *217.1315* C10 H19 N O4 14946 13645 19988 20376 29417 29535 65821 64985 18328 17284 37647 37249 14806 14178 21392 20908 21359 22043 28334 29537 12963 13087 15240 15649 13549 12768 30979 30565 12896 12762 21252 20605 23610 24180 8179 8246 16133 15752 12057 13298 14475 13829 26951 26870 16785 16635 22231 22559 14779 15284 12954 13342 27134 27135 22793 22535 13777 13945 11835 11710 25875 25672 19683 18948 27042 26175 20236 19618 20293 19801 20478 21397 28507 29381 16292 16579 20396 20701 20702 20799 14497 14313 33535 32131 17749 17874 51713 52888 12643 11521 217.1315 *217.1324* 217.1324@6.1447616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2044 1636 1 1 1399 1 3531 2688 1342 2255 1657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 2713 3021 1 1 217.1324 *217.1332* 217.1332@1.1650449 1029 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1458 1 1 1 1 1649 1115 1 1163 1 1 1241 1 1 1388 1 1 1 1 1169 1 1632 1 1 1 1 1 1 1384 1 1 1 1 1 1 2126 1339 1 1 1 1 1 1 1 1 1 1 1203 2880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 2034 1 1 217.1332 *217.1381* 217.1381@1.1443406 1 1 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 1503 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 6790 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 1 217.1381 *217.1432* 217.1432@1.1838812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 2024 1 1 1 1 1 1 1 1 1 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 1418 1 1 1 1 1 1 1286 1 1 1 1 1 1 2216 3186 1 1 1 1 1 1 1 1 1 1 217.1432 *217.1506* 217.1506@1.2041941 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 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1506 *217.1549* 217.1549@1.2061169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1549 *217.1596* 217.1596@1.1297452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1596 *217.1674* 217.1674@4.469923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2479 2374 1827 1894 1775 2117 1870 1827 1925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.1674 *217.9629* 217.9629@0.761822 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9629 *218.0193* 218.0193@2.8232105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0193 *218.0894* 218.0894@2.1528296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 218.0894 *218.0902* 218.0902@2.07944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10526 10302 1 1 1 1 1 1 1 1 1 1 218.0902 *218.0903* 218.0903@2.2253845 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 9631 1043 1 1 1 1 1 1 1 1 1 1 218.0903 *218.0991* 218.0991@1.4407893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.0991 *218.1031* 218.1031@1.4450403 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 1 1988 1 1 1 1 1 1 2704 1 1 1 1 218.1031 *218.1052* 218.1052@1.4286611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2095 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 218.1052 *218.1072* 218.1072@1.2080338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721901 705999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1072 *218.1149* 218.1149@1.937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 218.1149 *218.1158* 218.1158@1.1992208 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1158 *218.1436* 218.1436@4.651719 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.1436 *218.1658* 218.1658@1.1878222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2854 1 1 1 1 1 1 1 1 2754 1 1 1 1 1 1 1 1 1 2619 1795 7792 1 1 1 1 1 1 1 1 1 1 1 2589 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1451 1116 2667 1 1016 1 1326 1 1086 1 218.1658 *218.1672* 218.1672@2.7500043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1272 1 1 1 1 1 1 1 1 1 1 1 1 218.1672 *218.169* 218.169@1.2012948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 2254 1 1 1862 1 1 1 1 1 3287 1 1 1 1 1 1 1 1 1 1 1 9029 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 218.169 *218.1769* 218.1769@1.2101384 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 218.1769 *218.1826* 218.1826@1.168798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21072 3497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15262 1 1 1 1 1 1 1 1 1 1 1 1 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 1 218.1826 *218.1878* 218.1878@1.1622639 1 1 1 1 8199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5468 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 1 1 1 1 218.1878 *218.1879* C8 H22 N6 O 2070 1 2583 1414 2562 1 1 1 4837 4367 4445 3376 1740 3186 1 1 2331 1 1 2569 4796 3439 5920 8641 5634 5861 1 1 4673 3286 1706 1490 2387 2446 1447 1672 1108 1 3045 3349 2062 2654 2011 1780 1 1 1616 1 3920 2192 6010 5903 9658 8042 1 2924 3010 1 1 1 3568 3489 2926 2696 2991 2885 3007 1 1595 2875 2713 1 2983 3580 1214 1 1 2802 5479 4838 5601 4899 1 4421 1470 2961 7922 8238 4086 2873 218.1879 *218.1881* C12 H26 O3 119793 119216 94961 91461 121969 128293 140619 139178 139398 140142 118994 116077 189108 183753 163023 167552 87232 88627 150428 147373 152563 159293 204001 206030 207471 202192 160912 159828 181012 183692 95837 92613 90567 92332 71867 75560 69010 70623 100342 95681 82201 82874 116636 120704 93032 91922 67859 69829 88853 88418 110609 108554 158027 156552 109654 108404 141339 143379 102524 97060 82682 81263 67440 65933 76277 79053 82520 86396 59083 58665 45715 48478 75087 76813 109343 98917 101461 102188 126306 126543 106486 106535 77154 82094 109705 108526 74639 74902 75841 78212 218.1881 *219.0506* L-DOPA 5714 5634 1 1 6524 1 10277 1 9789 10599 6873 6325 15262 1 8542 10218 1 5822 10515 9995 1 4314 9518 9195 5253 1 1 6083 1 9521 9117 8661 7880 8292 10673 9404 13770 1 1 1 7494 7465 7654 1 1 1 10236 10606 1 3618 3772 1 9231 9223 1 4243 4383 3588 1 8343 8425 5588 4972 1 8182 8783 8052 7461 13016 13939 1 1 5976 6158 6233 7104 12625 12706 10613 8373 1 9959 1 1 9877 9596 4265 4146 3332 1 HMDB00181 C00355 219.0506 *219.0563* 219.0563@1.6085675 1 1 17795 15865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1762 1 1 1 1 1 1 1 1 1 1 219.0563 *219.0608* 219.0608@1.419152 1 1 29119 30260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0608 *219.0631* 219.0631@2.1394303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3419 1 1 1 1 1 1 1 1 1 1 1 1 219.0631 *219.0666* 219.0666@4.7232766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2962 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.0666 *219.0996* 219.0996@1.4003553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 219.0996 *219.1009* 219.1009@3.6583376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6304 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 1 1 1 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1009 *219.1097* 219.1097@1.2165836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1467 1 1 1 1 1 1 1 1 1 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 1 219.1097 *219.1102* 219.1102@2.8204143 1 1 1 1 2019 1 1 1 1066 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 3148 1 1 1 1 1 1 1 1 1 1 1 219.1102 *219.1105* 219.1105@1.7257074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1105 *219.1108* Pantothenic Acid 53842 49896 40092 44595 249488 249110 58274 60845 212334 217058 163111 161831 121482 120010 54260 57732 161877 167129 181722 186874 109502 113594 73877 75765 131870 134276 223504 241546 63770 65232 87206 89267 135639 131861 65181 66594 57537 54519 249922 250785 96936 99618 115314 110839 194734 196418 75005 74656 60663 58178 159934 165953 177981 175707 71365 70304 192620 199492 43893 43371 59667 58198 152568 148857 246801 247258 77677 73926 115952 109635 136259 137480 111315 107693 156642 154593 116412 122545 554576 554225 232387 234419 214099 217114 85284 86756 67040 68990 154330 163607 219.1108 *219.1126* 219.1126@1.76741 2819 2839 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 3378 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 2733 1 1 1 1 1 1 1883 1 1 1 1 1 1 1 219.1126 *219.1134* 219.1134@1.8279815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1134 *219.1221* 219.1221@1.1580249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1221 *219.1297* 219.1297@1.2085326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1297 *219.1741* 219.1741@1.2024337 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 219.1741 *219.2346* 219.2346@2.53527 1 1 1 1 1 1 1 1 1529 1690 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 1555 2161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1708 2220 1 1053 2009 1 1 1 1 1 1 219.2346 *220.0213* 220.0213@2.5144804 1 1 1 1 1 1 1629 1337 1 1 1 1 1 1419 1 1 1 1 2359 2487 1 1 1625 1965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1812 2075 1 1 1 1 1489 1 1 1 1 1 2023 2049 1509 1667 1 1 1 1 1660 1722 2000 1 1 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 1639 1 1 2500 1 1 1 1 2388 1 1 1977 2162 220.0213 *220.0379* 220.0379@3.6151524 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 1821 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2736 1208 1 1 1 1 1 1 1 1 1 2532 1628 1652 1 1 1 1 1 1 1007 1 1 1 1 1 4339 1 1814 2001 1 1 220.0379 *220.0384* 220.0384@3.7702906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 1 1 220.0384 *220.0579* 220.0579@2.9731276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 2977 1 1 1 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 1 5516 5661 1 1 1 1 14402 13614 1 1 3285 3345 2660 1 15833 14258 7422 1 3625 3231 220.0579 *220.0633* 220.0633@2.9717057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2881 4870 1 1 1 2332 1 1 1 1 1 1 220.0633 *220.0679* 220.0679@3.0311973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 220.0679 *220.0684* 220.0684@1.1332222 1 1 3086 3339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2064 2105 1371 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 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 1 220.0684 *220.0724* 220.0724@2.899292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 220.0724 *220.0728* 220.0728@2.371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2691 1 1 1 1 1 1 1 1 1 1 220.0728 *220.076* 220.076@1.4352981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.076 *220.081* 220.081@1.5911318 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4204 3830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.081 *220.0824* 220.0824@1.4865012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4698 4022 1 1 1 1 1365 1421 1 1 3236 1 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 1 1 1 1 1 1 13554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.0824 *220.1116* 220.1116@1.80762 1 1 1 1 1 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 3382 7119 1 1 1 1 1 1 1 1 1 1 220.1116 *220.1131* 220.1131@1.7666998 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3764 1 1 1 1 1 1 1 1 1 1 1 220.1131 *220.114* 220.114@2.5664258 1 1 2294 1 1 1 1 1 1 1050 1 1 5151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.114 *220.115* 220.115@1.0603501 1 1 1 1 1 1 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 2922 1 1100 1254 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 4367 1528 1 1 1 1 1 1 1 1 1 1 1 2152 1 4380 1 1 1 1 1 1 1 1 1 1 1 1 1 1586 220.115 *220.1166* 220.1166@1.0415412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2496 1 220.1166 *220.1173* 220.1173@1.0633538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1849 1737 1 1 1 1 1 1 1 1 1 1 1463 1656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1173 *220.1181* 220.1181@1.7574623 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 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 1 1 1 1 1 1 1 1 220.1181 *220.119* 220.119@2.619024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.119 *220.1217* 220.1217@6.416641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1217 *220.1263* 220.1263@2.141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 220.1263 *220.1276* 220.1276@1.1677246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2863 1307 1 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 2092 1 220.1276 *220.1327* 220.1327@1.1968198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 220.1327 *220.1345* 220.1345@1.1643848 1 1 1 1 1 1 1 1 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 2621 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 1699 1 1 1 1 1 1 1 1665 220.1345 *220.1405* 220.1405@1.178286 1 1 1490 1 1 1 1 1397 1 1 1 1999 1 1603 1 1 1 1 1 1 1 1 1 1 1 2288 1 1 1 1873 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 3975 1 1 1 1 1 1 1 1 1 1 220.1405 *220.1457* 220.1457@1.179122 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1547 1943 1 1 1 1 1 1 1 1 1398 1 3250 3201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2015 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1457 *220.1539* 220.1539@1.1837004 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1539 *220.1564* 220.1564@2.9050717 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1564 *220.1566* 220.1566@2.8137257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13707 10836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220.1566 *220.1627* 220.1627@7.138808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5876 9221 9398 6909 6870 31371 32184 19996 19146 8403 8040 4754 4931 3072 3284 8478 8277 5831 6230 10607 6823 7564 7553 10871 10668 7661 7911 9169 9224 220.1627 *220.1691* 220.1691@1.1000739 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 1822 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1321 1 1 1 3259 1 1 3845 220.1691 *220.1778* 220.1778@1.1040375 1808 1724 1 1536 2875 1793 1663 1674 2248 1 1848 1 2263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1821 1 1 1 1 1 1 2841 1666 1 1 1 1448 1 1429 1 1 1 1 1 1 1426 1 1 1300 1634 1503 1 1183 1909 1043 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 4303 1 1987 1281 1 1 1 1 1 1 1 1 220.1778 *220.1818* 220.1818@1.1056913 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 1821 1 1 1 1280 1378 1 1851 1575 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 1647 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 1 220.1818 *221.0894* 221.0894@3.2190974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4983 1 1 1 1 1 1 1 1 1 1 1 1 12482 2411 7981 1 1 1 1 1 1 1 1 1 1 1 2102 7772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5463 20111 1 1 6489 1 1 4715 1 1076 1 1 8134 1 1865 20287 1 1 1 1 221.0894 *221.101* 221.101@1.4522955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 221.101 *221.1063* 221.1063@1.7212617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5393 3244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1063 *221.1082* 221.1082@1.7533258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 221.1082 *221.1166* 221.1166@2.5421505 1 1 1 1 1 1765 1 1 1110 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 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 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1166 *221.1262* 221.1262@1.2090924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1262 *221.1368* 221.1368@1.2098862 1 1 1 1 1 1 1 1 1 1 1 2459 1 1 1 1 1 1 1290 1727 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1498 1 1 1 1 1 1 1317 1 1 1 1 1420 1 1 1 1 1 1307 1248 1 1282 1 1 1232 1524 1 1683 1 1685 1 1 1 1421 1 1 1 1 221.1368 *221.1384* 221.1384@1.2083465 1 1 1756 2056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 4051 3038 1 1 2337 2321 1 1 1 1 1 1 3807 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 1 221.1384 *221.1617* 221.1617@1.8495288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5916 6747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1617 *221.166* 221.166@7.7710843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23635 22802 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 221.166 *221.1706* 221.1706@1.1727357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 221.1706 *222.0195* 222.0195@2.722243 2732 2320 1 1 1780 2417 1 1931 1 1 2472 1 1 1 1 1037 1 1485 1 1 1 1 1 1785 2083 1 1 1 1 1 1 1 1 1 1271 1240 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 1261 1 1479 1 1 1 1 1 1041 1903 1 1 1206 1 1 2346 1 1 1 1 1 1 1 1012 1 1 1 1 222.0195 *222.0202* 222.0202@2.6611326 1 1800 1 1 3572 1904 1643 1628 1 1 1 1 1 1 1 1 1 1403 1 1 1701 1249 1 1592 1 1 1 1 1 1197 1 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 2866 1 1 1 1 1 1 1 1455 1508 2493 1 1 1 1 1629 1 2970 1 1633 1 1 1 1 1547 2895 1646 1 1 1 1 1 1161 1 1 3118 1 1 1 1 2576 1 1 1648 1043 222.0202 *222.0584* 222.0584@1.3239274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0584 *222.0671* 222.0671@1.3204496 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0671 *222.074* 222.074@2.9844856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14556 10893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3570 1 1 1 222.074 *222.0758* 222.0758@2.9580193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 6649 10409 1 1 1 1 6082 5887 2713 3176 7138 6085 4339 2517 4623 4648 2745 6933 1 1 222.0758 *222.0785* 222.0785@2.595005 1 1 1 1 1 1 1 2677 1 1 1 1 1 1 1 1 1 1 1 2548 2360 1 2927 1720 1 1387 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0785 *222.0788* 222.0788@1.3437752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 222.0788 *222.0838* 222.0838@1.0417154 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0838 *222.0851* 222.0851@3.6454432 1 1 1 1 1 1 2161 39526 1 1 1 1 1663 1416 1 1 23151 1 2319 2715 49014 51087 1883 1931 1 1 3017 2579 22487 1158 26482 27402 23051 1124 1 1 1 1 1 18766 2213 2980 1 1 1188 1 1 1 71568 67849 1 1 1 1 1 1 1 1 1 1 1 1 1 28138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1292 1 1 1 1 1 1 1 222.0851 *222.0851* 222.0851@1.2846434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4083 3638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0851 *222.0854* 222.0854@2.0497458 1 1 1 1 1 1 1 1 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 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 1 222.0854 *222.0861* 222.0861@3.4777195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 14471 14818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5756 1 1 1 7454 1 1 1 1 1 1 222.0861 *222.0896* 222.0896@2.8124166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1 1 1814 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 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 1 222.0896 *222.0897* VALERYL SALYCILATE 1413 1803 1 1 1379 1240 1649 1793 2101 1 1278 1 2371 2587 1569 1536 1 1 2012 1705 1772 1835 2878 2722 1849 1644 2047 1854 2121 1971 1158 1669 1 1575 1 1 1108 1 1631 1628 1429 1321 1045 1233 1 1 1 1 1404 1658 1705 1994 1 1908 1 1 1499 1800 1057 1 2509 1106 1314 1 1 1025 1 1499 1280 1 1 1 1089 1558 1 1 1448 1 1626 1751 1579 1788 1540 1 1631 1824 1390 1476 1547 1897 222.0897 *222.0932* 222.0932@1.93399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5629 4233 1 1 1 1 1 1 1 1 1 1 222.0932 *222.0932* 222.0932@1.132531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 4529 1 1 1 1 1 1 1 1 1 1 1 1 1202 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1045 1 1 1 3327 4177 1 1 1 1 1 1 1655 3268 1 1 1 1 1 1 1 1 1 1 1 1 1 2419 1 1629 1 1 1 1 1 1 1105 1 1 1 1 1 222.0932 *222.0934* 222.0934@1.0993755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 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 1 222.0934 *222.0961* 222.0961@2.908832 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 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.0961 *222.1006* 222.1006@1.1586707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1303 1 1 1 1 1 1 1 1 1 1 1263 1 1 222.1006 *222.1048* 222.1048@2.0449517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1048 *222.1063* 222.1063@1.2221022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2047 2576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1672 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 3628 3443 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 1 222.1063 *222.1098* 222.1098@2.044373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2577 1 1 1 1 1 1 1 1 1 1 1 1 12723 17734 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1098 *222.1108* C15 H14 N2 1 1 3594 4210 1235 1 2330 2622 2349 1 1 1 2817 1702 1307 1 1 1 1 1 1 1 1 1 2379 1827 1 1948 1231 2000 8686 4071 1122 1 1 1 1665 2895 2744 2651 1 1 1 1739 1 4104 1171 2550 2643 1 1 1 1782 1 1 1 1 1 1 1 1 1 1644 2133 3171 4102 1 1 5073 9672 2928 6222 1 1717 1 1231 6962 4630 4186 3005 1 1 1180 1 1 1 1433 1821 1 1 222.1108 *222.1219* 222.1219@1.2166654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 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 1 1 1 1 1 1 2434 1 1 1 1 1 222.1219 *222.1222* 222.1222@1.132628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1222 *222.1292* 222.1292@1.2194401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1292 *222.1377* 222.1377@1.3443102 1 1 1 1 1 1 1049 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 1 1874 1208 1 1 1 1 1 1 1 1 1 1 222.1377 *222.1497* 222.1497@1.1979092 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 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 1 1 4438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1497 *222.1551* 222.1551@1.1286987 1 1 1800 2037 1 1980 1611 2234 1 1 1 1091 1 1592 1 1 1 1 1 1 1 1 1 1 1513 1 10845 4845 1 1 1123 1693 1 1 1 1879 2665 2652 1 1 1 1 5239 1 19177 1 1 1 1 1 1 1 2273 2051 1 1 1 1 1 1 1 1 1 1 1419 1583 1 1 1 1 1 1 1 1 1 1 1 1 2439 2192 1 1 1 1 1 1 1 1 1 1 222.1551 *222.1596* 222.1596@1.1546882 1 1 1621 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 1 1 1 1 1 1 1 1 37583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1596 *222.9915* 222.9915@11.235736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.9915 *223.0128* 223.0128@1.0668881 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0128 *223.0164* 223.0164@1.2239362 1 1 1 1 1 1 1 1 2024 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 2151 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0164 *223.0586* 223.0586@1.9087317 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 223.0586 *223.0598* 223.0598@1.8772484 1 1 1 2162 1 1 1 1 1 3832 1 1 1 1 1 1 1 1 1 1 3070 1 1 1 1 1 1 1 1 1 1 4850 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0598 *223.0842* 223.0842@2.7654204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.0842 *223.0851* 223.0851@1.1159351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8350 8419 1 1 1 1 223.0851 *223.0859* 223.0859@2.624144 1 1 2012 1 1 1 1260 1 1 1 1 1 1718 1 2277 1294 1 1 1 1 2034 1 1316 1268 1510 2025 2436 1 1666 3442 1450 1 1 1 1 1 1482 1866 2414 3000 1 1 1 1 2791 1 1 1 1 1 1 1 1 1 1 1588 1 1 1 1 1 1 1 1 1 1 1 2342 1 1 1 1 1 1 1 1 1077 1 1 1 1762 1 1868 1 1 1 1 1 2417 1 223.0859 *223.0869* Methyl o-methoxyhippuric acid 3583 1790 3205 1 1530 1016 1134 3909 1578 1865 1158 1634 2755 4887 3261 2333 3547 1 5713 4854 4547 5137 4543 3059 1335 2357 4973 4272 5099 3590 3646 3894 2914 1 1 1 3302 2397 3100 3215 3618 1 1501 3318 4520 3901 1 1 6559 4898 2592 1 2023 1133 1768 3222 3481 3586 3847 4042 2116 1 2856 2489 1904 2413 1 1448 3475 3357 1 1 3843 3475 1 1 1775 1 1 1 1339 1 1937 1777 1 1 1 1 1639 1529 HMDB00690 223.0869 *223.087* 223.087@2.3356826 1 1 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1 1 1 1 1 1379 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 1 1 1 1 1 1 1 1278 1 1 1 2294 1 1 1560 1 1 1 1 1 2040 223.087 *223.0871* C11 H14 Cl N3 1 1 2089 1 1 1 2765 1 1 1 1 1 1070 1622 1829 1 1 1 1 2490 1588 5444 2793 1354 1 1 1757 1 2508 1943 3969 1 1327 1 1 1 1 2498 1330 3148 1 1 1 1 1519 1 1 1 4968 3198 2202 2277 1 1 2627 3143 1 1 1788 4455 1895 1 1666 1814 1 1380 1742 2209 1 1 1 1 2066 1 1 1 3490 7113 1484 5969 1707 1 2771 2615 1579 2201 2460 1 6795 1213 223.0871 *223.119* 223.119@1.3432689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2478 3638 1 1 1 1 1 1 1 1 1 1 1 1 5640 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.119 *223.1204* 223.1204@1.3191292 1 1 1 1 1 1 1 1 1 1 3231 1 1 1867 1 1 1 1 2334 2003 1 1 1 1 1 1 1957 2209 1 1 1 1 2380 8032 1 1 1640 1705 1 2851 1 1 1 1 2518 1584 1 1 1 1 1 1 2833 1 1 2070 1 1 1 1915 1736 1985 1708 1 1 1 3283 1243 1 4609 1 1 1 1 2947 1 1920 1338 1 1 1 1 1579 1 1 1904 2248 3574 1 1 223.1204 *223.1207* 223.1207@1.2661437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 3011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 223.1207 *223.1274* 223.1274@1.2562182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2152 1 1 1 1 2176 1 1 1813 2281 1 1 1 1 1 1 1 1 1 1 223.1274 *223.1692* 223.1692@1.2042302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 223.1692 *223.1745* 223.1745@1.2033452 1 1 1 3551 1 1 1 4461 1 1 5028 5505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 4070 3744 1 1 1 1 1 1 5379 4901 1 1 1 1 1 1 1 1 3492 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3986 1 1 2104 1 1 1 1 1 1 1 1 1 223.1745 *224.0005* 224.0005@0.9715927 1 1 1048 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 1 1 1 2907 2870 2176 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0005 *224.0179* 224.0179@1.515837 1 1 1 1 1 1 2828 2915 1 1 3444 3625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 3204 3745 1 1 1 1 1 1 1 1 1 1829 1 1 1144 1 2883 2658 1 1 1 1 1 1 1 1 1 1 6620 7169 1729 1 1 3811 1 1 1 2158 4674 5109 3311 3340 1 1 6150 6632 1 1 4112 1018 4986 3798 7575 8536 5782 6374 1 1 224.0179 *224.0192* 224.0192@1.4488724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3133 1464 1 1 1 224.0192 *224.0195* C5 H12 N4 S3 1 1 1 1 1 1 1310 1 1 1 1250 1 1 2136 1824 1918 1 1 2594 2323 1948 1698 1 1 1 1 1 2996 1 1 2455 2290 1 1 1452 1 2435 2394 1197 1 1 2104 1436 1 1 1 2530 1716 1 1 1970 1737 1 1862 1 1 1 1 1 1 2865 2624 1 1 4140 1654 1214 1775 3724 1031 2730 2600 1778 2161 1 1 3336 1 1 1 1 2058 1 1671 3823 1 1041 2207 1896 1 224.0195 *224.0195* 224.0195@2.0319946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2560 1 1 1 1 224.0195 *224.0246* 224.0246@2.0416918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 2422 1 1 1399 1 1569 1 1 1537 1273 2406 2381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1821 1808 1 1 224.0246 *224.0299* 224.0299@1.5136772 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0299 *224.0372* C15 H9 Cl 1277 1100 1 1072 1 1 1 1 1787 1541 1 1 1 1 1 1 1368 1069 1 1 2710 2762 6342 6884 1 1 1 1 2853 2595 5521 5371 2064 2262 1528 1940 1660 1792 1 1043 4818 3813 1 1 1 1 1 1057 1 1 3333 3902 9570 8983 1092 1093 1680 2140 1 1 1 1 1 1 1 1366 1105 1360 3847 3426 1052 1072 1768 1812 1592 1783 1 1 2252 2454 1664 2159 4489 3938 1 1067 2799 2990 2012 1949 224.0372 *224.0489* 224.0489@2.030831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 3871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2326 224.0489 *224.0527* 224.0527@1.5086755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0527 *224.0554* 224.0554@2.0198464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2082 1 224.0554 *224.0602* 224.0602@1.4796178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0602 *224.0711* 224.0711@1.5557381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 2532 2147 1 1 1 1 1 1 1 1 1 1 224.0711 *224.082* 224.082@1.4527302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.082 *224.0919* 224.0919@1.3631473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19066 19432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 224.0919 *224.0962* 224.0962@1.352746 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0962 *224.0982* 224.0982@2.0801337 1 1 1 1 1 1 1651 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 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0982 *224.0991* 224.0991@1.2913853 1 2741 1 1 1 1 1 1 1 1 1 1 1 4178 1 1 1613 1 1 1 1 1 2810 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 2103 1 1 1 1 2175 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1570 224.0991 *224.1004* 224.1004@1.3490387 2221 1 1 2831 1 2268 1 1 1286 2557 1 1 4756 1467 1619 1 1 2142 1 1 4249 4166 1864 5004 1 2812 1 1 1 1 1 1697 1 1 4434 1 5548 5004 1 5363 6070 7474 1 1 1 1 1884 1 1092 1 1 1 3858 1 1 1 1 1 1 1 1 1 1 1 1 1687 2382 2165 1 1 4712 4557 1 1 1939 1801 3281 1924 1 1533 2024 1 2920 3352 8180 11054 1 2932 4173 3393 224.1004 *224.1029* 224.1029@1.3051437 2482 4435 1 1297 2625 1285 5399 6398 1596 2619 1 3234 1 2145 1 1 1645 1450 3967 5353 1 1342 2018 2200 1050 1782 3902 1 1470 2219 3097 1910 5869 4466 2171 4319 1422 1237 4419 1 1065 1125 2938 2095 1 1 1211 3985 2419 2890 1 2028 2631 2557 1 1 1 1 3331 6424 6186 5908 2937 2007 3879 3291 3777 3875 1 1298 1071 2177 2209 1 2003 1 2085 2765 4388 3659 4795 5361 1029 1949 1 1 1 1962 1 1 224.1029 *224.1029* 224.1029@3.9970958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1385 1490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1381 1003 1 224.1029 *224.1032* 224.1032@2.102617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1026 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 1349 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 1598 1 1 224.1032 *224.1045* C7 H17 Cl N4 O2 3334 2539 3063 2576 1 1 1 1 4186 3659 3013 3352 3730 4804 4274 4006 1 1651 4127 2073 3048 1 1744 1707 3084 2787 4804 4203 2195 2811 3108 3104 1 1 1026 2142 3057 2832 3302 3398 2862 1 1 1 1477 3071 3609 3811 3369 3950 1806 1837 2141 3760 3954 3553 2897 2750 2670 2817 5119 4503 2329 1 4989 5251 1 1 4367 1 5986 6404 1 1 2641 2426 5405 1 1296 1 4579 3842 2234 1676 4573 4192 1531 1763 1 1 224.1045 *224.1074* 224.1074@1.3577378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1074 *224.1109* 224.1109@1.2306263 1 1 2194 1 1 2248 1 2375 1 1 1 1 4488 1 1 1 1 1 2579 3008 1 1 1 1 2877 1 1651 1 1 2660 1 1 1 2961 1 1 1 1763 1958 2766 1572 1 2216 2480 1 1 1789 1979 1 1 1685 1 1 1 1 1486 2005 1 1254 1 1559 1932 1 2362 1352 1566 1 1 1691 1448 1 1 1 1 1 2733 1 1 6477 1 1 1 1 1 2779 1 1 1 1 1 224.1109 *224.1155* 224.1155@1.2406585 1 1 1 1 1 1 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1155 *224.1198* 224.1198@1.2321578 1 1 1 1 1 1 1 1 1 1 1 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 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 1600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1198 *224.1253* 224.1253@2.2578776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14142 13128 1 1 1 1 1 1 1 1 1 1 224.1253 *224.1268* 224.1268@1.21986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 1 1 1 1647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 224.1268 *224.1353* 224.1353@1.2000358 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 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 1391 1038 1 1 1 1 1 224.1353 *224.1393* 224.1393@1.1935997 1 1 1 1 1 5063 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1296 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1711 1 1 1 1 1 1 1388 1 1 1 1 1 1 1 224.1393 *224.1483* 224.1483@1.5185552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1921 1 1 1 1 224.1483 *224.1493* 224.1493@1.147711 1 1 1 1 1 1 1 1 1 1478 1 1 1 2988 1 1554 1 1 1 1 1 1 1 1 2436 1 1 1 1 1 1 1 1 2133 1 1960 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1111 2585 1 1 1 1 1 1 2061 1 1 224.1493 *224.1547* 224.1547@1.1316434 1 1 1 1 1 1 1 1 1 1 1 1 3178 1 1088 1 1 1 1 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 1402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1547 *224.1623* 224.1623@1.1080304 1 1 2110 1 1 1 1 2910 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 2407 2609 1 1 1 1 2403 1601 2247 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 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 1189 1 1 1 1 224.1623 *224.1644* 224.1644@1.090889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1644 *224.1694* 224.1694@1.1588572 1 1 1 1 1 1 1843 1 1 1 1 1 1951 1 1 1 1 1 1 1 1269 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 2794 1 1 1 1 1 1 1 1 2291 1 1 1 1 2163 2353 1 1 1 1 1 1 1 1 1 1 1 1 1627 1 2186 1 1 1 1 1 1 1 224.1694 *224.176* 224.176@1.1678787 1751 1 1 1 1 1 4038 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 9534 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 4221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6072 1 1 1 1 2513 1 1 1 1 1 1 224.176 *224.1766* 224.1766@1.1723495 1 1 1 1 1 4966 1 3386 1 1512 5858 7112 1 1 1 1 1241 1 4766 4794 2206 1561 1996 2827 1 1 4632 5356 1 1 1 1 1584 1013 1 6250 1 1 1 1 2732 2907 1 1 1 1 3685 1245 1 1 1 1 1 1 3731 3688 3324 3332 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1269 1 1 1 2177 2480 1 4674 1 1799 3219 1 1 1 2969 1 1 1 224.1766 *224.1887* 224.1887@1.151506 1 1 23057 22806 4575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68481 66408 1 1 1 1 7137 6032 1 1 1 1 9835 11027 1 1 1 1 5315 4549 11375 10163 1 2106 1 1 1 1 1 1 1 1 1 1 10303 10560 1 1 1 2722 1 1 1 1 5219 5103 17720 17415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.1887 *225.0166* 225.0166@5.637448 1427 1741 2203 1 1134 1 1745 1555 1 1376 2408 2444 1217 1582 1918 1496 2438 2552 1751 1611 1 1731 1270 1311 1920 1876 1767 1937 1554 1567 2295 1952 1821 1912 1896 1544 1 1 1751 1450 2141 2236 1463 1342 1318 1 1403 1535 1495 1599 2585 2155 2282 2277 1768 1435 2099 1 1559 1477 2292 2464 2190 2597 3744 3732 1420 1597 2033 2715 2296 2569 2675 2537 3045 2710 2553 2229 2062 1207 2194 2305 3283 2999 2407 2129 5053 4808 1716 2227 225.0166 *225.0317* 225.0317@1.3213842 1040 1017 1 1 2970 2699 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 3687 1 1 1 1 1 1 1 1 1544 1842 1 1 1 1 1 1 1 1 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 2863 1 1081 1 1 225.0317 *225.0391* 225.0391@5.8318224 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 1008 1 1 1 1 1 1 1 1 1 1240 1219 1176 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1207 1095 1 1 1 1 1 1 2052 1 2253 2343 1 1 1 1 1769 1 1 3872 1 1 225.0391 *225.0628* 225.0628@1.9848589 1 1 1 1 1 1 1 1 1 1 1015 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1601 1480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 225.0628 *225.0705* 225.0705@1.9761602 1 1 1890 1931 1333 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1636 1 1 1295 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1880 1 1444 1460 1 1321 1 1 1 1 1 1 1 2558 1 1 1 1 1 1 1 1 1642 1 1 225.0705 *225.0756* 225.0756@1.8816723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3964 1035 1 1 1 1 1 1 1 1 1 225.0756 *225.0765* ANCITABINE 2738 3234 3134 2281 2994 3509 2118 2581 3612 5108 4800 5065 2819 3516 3951 2551 2617 4320 4477 6856 2277 2527 4081 4263 1914 1541 4224 4988 27769 28586 1 1 4392 6712 6542 6263 10931 10503 4054 6370 7556 4395 3275 3394 2773 2959 4735 3226 25400 27349 8512 10603 8799 5020 3200 4375 2697 2821 6148 7866 8522 8873 4120 4343 5601 8593 5239 3494 6430 6219 11186 10460 4744 3341 4452 6533 8798 15494 10647 6783 9371 10271 4170 3057 8019 8355 3225 3361 5341 5994 225.0765 *225.0768* 225.0768@3.4560282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0768 *225.096* 225.096@1.6910716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1355 1 1 1 1 1 1 1 1 1 1 225.096 *225.099* 225.099@1.597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 225.099 *225.0993* 225.0993@1.320834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 225.0993 *225.101* 225.101@2.0818455 1 4397 1 1 1 1 1 2825 1 1 1 1 1 1 1 1 1 1 1 4106 1 1 1 1 1 1 1 8200 4379 1 1 1 1 1 1 1 1 1 4039 1 1 1 1 1 1 1 1 1 4279 1 1 6344 5823 1 1 1 1 1 1 1 1 8252 1 1 1 1 6210 1 4230 1 1 1 1 1 1 1 6070 1 3368 1 1 1 1 2834 1 1 1 1 1 3672 225.101 *225.1015* L-4-Hydroxy-3-methoxy-a-methylphenylalanine 10159 6150 10544 9693 4410 4591 4986 2684 11218 11412 7524 7443 9454 10560 15579 15868 10068 4002 12850 5131 8635 8415 11792 10088 9655 12832 11466 5300 5699 8763 8608 8046 1 1 5986 5475 9722 9584 5781 9833 6295 2914 4174 4576 9298 9510 8165 8831 6239 10980 5935 4367 3956 9214 12268 12594 7849 7729 7643 7894 11730 5957 6744 6323 10523 4351 3209 8502 6869 10314 19301 19896 1 1 7509 6588 7259 13484 1778 5919 13052 13566 6628 4502 8434 1 10107 5556 1 5110 225.1015 *225.1026* 225.1026@1.651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 225.1026 *225.1054* 225.1054@2.8671565 3013 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 1184 1 1 1 1 1 1 1 1 1 1 3082 1 1 1 1 1 1 1 1 1 1 1 3913 1 1 1 1 1770 1 1 1 1 1 1 1 1 1 1 1 1 2511 1 1 1 1 1 1 225.1054 *225.1061* 225.1061@1.289436 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1061 *225.1083* 225.1083@2.830659 1 1 1 1 1 1 1 1497 1 1769 1984 1 1 1 1908 1 1 1 1 3282 1 1316 2462 2573 1 1 1 1 1 1 1 2395 2370 1 1 1 3027 1 1 3613 3150 3736 1 1 1 1 4614 4321 3123 3213 1 1 1 1 1 1 1783 2236 2661 1 1 1 3386 1 1 1 2887 2816 2582 2917 1 1 3348 3541 3405 2878 1 1 1 1 1 1 1 1 1 1 1 1 3429 3327 225.1083 *225.1111* 225.1111@2.0519652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6295 7943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1111 *225.1116* 225.1116@4.451528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1074 1248 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 225.1116 *225.1149* 225.1149@5.852025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 225.1149 *225.1194* 225.1194@1.788311 1 1 1 1 1 1 1 1 1 1 1 1 1055 1656 1 1 1 1 1 1 1 1 1 1 1895 2028 1 1 1 1 1 1 3935 1 2705 1 2835 2578 3785 3084 2649 3392 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1593 1 1 1899 3340 1 1 1 1 1 2238 1 1 1 1 4162 4064 1 1 1 1 1 1 2267 2467 3207 2496 1 1 6255 1 1 1 225.1194 *225.1203* 225.1203@1.7925911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 2826 1753 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 1 225.1203 *225.1227* 225.1227@4.487653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14579 14837 1 1 1 1 1 1 1 1 1 1 225.1227 *225.1358* 225.1358@4.206959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.1358 *225.137* 225.137@1.3707564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14922 21568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.137 *225.1375* 225.1375@1.4675359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 225.1375 *225.1484* 225.1484@1.546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 225.1484 *225.1546* 225.1546@1.3933313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 225.1546 *225.1655* 225.1655@1.310859 1 1 1 1 1 1 1 1 1 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 1 2897 1 1 1 1 1 1 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 1 1 1 1 1615 1 1 1 1 1 1 225.1655 *225.171* 225.171@1.3195627 2584 2486 5758 2053 1 2460 3169 3459 4518 3673 9196 7643 2905 2366 2478 3587 1 2883 3774 3745 2017 2828 3863 2336 2770 2726 7943 9129 2685 3022 2335 3302 3855 3067 1156 3056 6857 5736 2653 3501 3954 4638 2567 3036 16434 16461 1001 1 2084 1898 2450 2328 2125 3068 3755 4643 1995 2336 2456 2420 1531 2777 1178 2780 1 3685 3235 2052 3249 4064 1 4794 2564 2774 1 1 1873 1739 1 3426 3700 3913 5916 4774 2754 2292 3408 3746 1681 1 225.171 *225.1727* C9 H19 N7 30555 30508 1 47061 22570 22888 36240 38365 36265 35850 66122 1 35704 33599 30921 34067 27290 24695 44887 44012 25206 25647 36107 36244 34567 34386 57694 1 31998 31681 26483 21067 1 34873 39878 38745 58431 1 32728 36239 39105 38083 33886 1 80923 82808 28519 22529 20565 28008 29106 1088 19299 18602 1 1 21987 27605 35681 34341 31153 31736 34567 1 30004 34184 29095 28172 23128 21696 22883 29272 25909 25446 19603 19068 26914 28061 30337 29855 31102 30965 40641 41266 21057 30081 41817 37865 19595 19320 225.1727 *225.1731* C13 H23 N O2 71618 73206 77915 79518 76658 73406 74691 74038 79263 76950 79342 76756 76395 77096 77074 75420 75373 76078 77700 75575 69242 68461 79775 78454 80214 73332 71354 70838 74167 77039 76216 76634 69469 70379 83915 86425 75840 77586 84564 85252 73903 73550 79898 78517 74665 74302 73017 71499 73878 72156 78826 78821 70463 69540 77851 79854 69633 70444 75111 77485 63019 63790 73755 72237 69240 68653 68804 71687 69290 68932 70531 72012 74841 73622 69736 69850 65899 65549 71747 72293 68779 72830 81546 80627 70996 68702 78553 78543 74284 74409 225.1731 *225.1733* 225.1733@1.2704899 1 1 1 2330 1 1 1 1 1 1 1 1 1634 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 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1095 1730 1 1379 2398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1655 1 1 1 225.1733 *225.9443* C7 H8 Cl2 S2 + 5.5007415 1 1 4293 1884 2072 1645 5030 1 1436 1544 1268 3142 1559 1 1420 1 1 1655 3679 1 1 1 1 1 1 1 2923 1195 1351 2009 1559 2694 2977 1654 1 2786 2126 3184 1 1904 5006 2588 1 1 1 1 1921 1 8395 2720 1 1 2057 4568 1 1278 1 1 1141 8434 1 1 2030 1695 1 1 1 1 2686 1 3849 1 1 1619 1 2067 1 1 1 1 1 1 1 1 1 1 1771 1 2314 1 225.9443 *225.9443* C7 H8 Cl2 S2 + 5.6843886 3003 3401 1564 1747 2137 3815 1615 1996 6145 5692 2116 6164 2396 2416 1723 1 2027 2497 2214 2518 1 1 1 1 1721 2093 5992 2026 3501 6278 3819 5687 2880 5666 6095 1 2400 5485 3484 5865 5782 2892 2282 2604 1 3867 3963 6665 2495 1930 1 2775 6349 5086 3676 3746 1 1 3580 3112 3941 9640 6862 2253 1 1 6111 1 5584 2218 5347 10192 1833 3179 1886 5731 1 1 10441 1 1 10064 1 10508 1 11759 5577 1 6589 9569 225.9443 *225.9443* 225.9443@5.405008 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.9443 *225.9444* C7 H8 Cl2 S2 7468 7299 5406 6050 8016 7139 6598 7586 6933 5842 5655 6632 7391 6851 7445 7316 6766 5930 7408 6135 6219 10515 6855 7182 6851 7520 7663 7326 7895 6543 7052 2190 8090 7674 6700 2613 7233 8235 4533 6127 2627 7610 6460 6519 1 6245 7656 1626 4999 5645 7757 7684 9868 6857 6596 6621 9058 7374 8822 5329 7673 8337 7059 7462 6084 6406 1763 7514 5926 7566 2746 8220 7262 8242 6836 7164 6797 6349 6001 6170 5648 6194 7014 6840 7532 7350 5726 7059 7989 7514 225.9444 *225.9449* 225.9449@5.6263857 1 1 3090 1 3842 3215 1 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2995 1 1 1 2131 1 1 1 1 1 1 3569 1 1 1 1 1 1565 2731 1 1 1 1 3843 2476 1 1 1 1 1 1 1 1 1 3333 1 1 3314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 225.9449 *225.9459* 225.9459@5.0890503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.9459 *225.9483* C3 H6 N4 S4 379471 390325 389020 390670 393149 396938 384696 393767 400965 407163 396791 403646 401721 400742 407405 407000 386014 387514 398682 403079 410529 413166 413276 412116 386524 386212 403421 407151 381212 379755 412995 404230 421424 420193 400710 395628 394665 400699 418615 421258 421326 421932 397390 396953 412493 406579 400391 399335 417580 420385 545249 545073 493449 487788 461937 461115 431258 439575 431657 428041 546556 537162 433283 434035 490975 494220 495502 497687 416250 418359 599576 606640 424308 421134 459402 448681 563189 570470 550348 553486 583999 588839 563907 564631 581659 584346 564965 562421 488948 491124 225.9483 *226.059* 3-Nitrotyrosine 10768 8616 13668 13253 8628 8378 10409 11301 11476 10962 17414 16746 8434 8055 11826 10894 10336 10621 13704 14006 15740 15070 8347 9158 7385 7682 15124 15129 6112 5797 20673 20264 4750 15947 13147 12545 13484 13401 12445 13407 3322 11944 11669 10826 10742 10866 11519 12457 13918 15373 13669 12759 12685 12370 8115 7362 12586 12962 7882 8096 17779 16635 16322 15303 15923 14849 29778 29908 16205 16460 22732 24026 8357 9489 15569 15316 13429 13796 15503 14298 15658 15286 13387 12370 22384 21174 18884 19291 12865 14080 HMDB01904 226.059 *226.0593* 226.0593@2.184785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10899 1 1 1 1 1 1 1 8309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.0593 *226.0605* 226.0605@1.463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.0605 *226.0614* 226.0614@1.499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 226.0614 *226.0731* C5 H14 N4 O4 S 8288 7642 8175 8358 7633 8148 8259 8773 8032 8020 8667 7559 8585 8705 9014 8902 8127 7667 8482 8411 8829 8861 7962 8509 7881 8199 8551 8793 7759 7608 8758 8461 9216 8577 8532 8402 7814 7342 8754 9114 9751 6681 7754 8805 8401 8019 8266 8590 8458 9126 12833 13630 10950 10270 9350 10187 9466 9927 9014 9226 13170 12138 9579 9253 11917 11178 10493 11408 8346 9154 14890 15191 9874 9903 10401 11060 13344 13656 13656 13380 14328 14138 13485 13531 14216 13799 14202 13313 11498 10874 226.0731 *226.0803* 226.0803@4.907071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1331 1 1 1 1 1 1 1 1 1 1 226.0803 *226.0962* 226.0962@2.3228526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10101 1 1 1 1 1 1 1 1 1 1 226.0962 *226.0988* 226.0988@2.2997253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 1 226.0988 *226.113* 226.113@1.3584851 1 1 1 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 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.113 *226.1196* 226.1196@1.5998303 1874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6158 1 15582 14225 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 1 226.1196 *226.1199* 226.1199@1.3522549 1122 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1199 *226.1206* 226.1206@5.480717 2583 1 1 2313 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 2069 2121 1 1 1 1 2497 2083 1 1 1 1 1 1 1 1 1 2386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1206 *226.1211* 226.1211@1.3558341 1 1 1 1 1 1 1 1 1 1 2866 1 1 1 1 1 1 1 1 2568 1 1 1 1 4182 4171 1 1 1 1 1 1 5556 6281 1 1 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 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 1 226.1211 *226.1241* C10 H18 N4 S 1 1867 2079 1 2314 1805 1 2370 1654 1960 2403 2280 1842 1905 2655 2585 2381 2001 1 1943 2228 2817 2393 2437 2198 2354 2246 1893 2098 1 1 1919 2038 2386 1874 1 1 2406 2734 2551 2478 1763 2211 2483 2019 1 1 2308 1 1 3625 1 3115 2594 3202 2455 2499 2080 2864 2637 3786 2950 2700 1 3277 2926 2842 2991 2267 2677 4429 4115 1 1560 1 2529 3748 3599 4167 3897 3631 3478 1 2471 4221 3581 3748 3444 2863 1 226.1241 *226.1264* 226.1264@1.4850439 1 1146 1318 1 1 1 1099 1 1801 3084 1 3365 1 1 1 1 1 1 1 6186 1 1 1 1 1 1891 1 1 1 1 1 1 1 5462 1 1 1 1 1 1 7436 10630 1 1 1 1 1 1 1 2379 1 1 7238 1 1 1 1 1 1528 1 1 1 1 1 1 1 6145 6869 3310 1110 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 2179 2119 1 1 1 1 226.1264 *226.1291* 226.1291@1.6643991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1297 1 1 1 1 226.1291 *226.1301* 226.1301@1.4234523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4676 1 3001 1 1 1 1 1 1 4808 6048 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 226.1301 *226.1328* 226.1328@2.024576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1893 1 1 1 1 1 1 4103 2545 1 1 1 1 1 1 1 1 3501 5136 1 1 1 1 1 1 1 1 1 1 226.1328 *226.1359* 226.1359@2.0606802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2897 1303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 3501 4129 1 1 1 1 226.1359 *226.1379* 226.1379@1.4234667 1 1 1 2063 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 2211 1 1 3230 1320 1653 3913 1 3046 1 1 1 1 1 1 7241 1037 1 1 3067 3720 1 3326 1 1 1157 1 1 1 8135 2952 1 1 1 3259 1 1 2349 3290 1 2409 1 1 9885 8405 1 1 1 1 1541 1868 1 1 9965 6190 1 1 1 1 226.1379 *226.1387* 226.1387@1.5793254 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1012 1 1 1 1 1 1 1 1 1 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 1 1026 1 1 1 1 1 1 1 1 1 1 1 226.1387 *226.1422* 226.1422@1.4377532 1 1 1 1 1 1 1 1202 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 2281 1 1 1 1 1 3795 1 1 1 1 2209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1422 *226.1472* 226.1472@1.38395 1 1 1 1 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 1251 1774 1 1 1 1915 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 2063 1 2385 1 1 1 4226 1 1 1 1 1 1 1 1 226.1472 *226.1522* 226.1522@1.4163384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.1522 *226.1559* 226.1559@5.472179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1559 *226.1566* 226.1566@1.3956026 1 1 1 1 1 9996 2316 1 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 1511 1 1 1 2028 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8186 1 1 2440 1 1 1 1 1 3190 4644 1 1 4205 1 1 1 1 1 1 1 1 1 1 1707 1 1 226.1566 *226.1568* 226.1568@1.5538116 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1568 *226.1623* 226.1623@5.485632 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.1623 *226.1639* 226.1639@5.4896355 1 1 1 1 1614 1 1245 1 1 1 1 1 1 1142 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 1059 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 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 226.1639 *226.1643* 226.1643@1.3136227 7106 1 1 1408 8102 7940 6384 8789 8711 1 12461 13534 10762 1 12645 1 13714 14276 16289 16477 17354 17769 9636 11178 7210 1 1 2474 4709 5468 1116 7328 1 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 6212 8292 1 1104 1 9574 10186 1 2513 7012 1 1 1 1 1 1 1 9095 1 1 1 1 1 5873 1 9142 8910 10040 9880 1 1 9967 10658 1 1 1 1 8907 1 1 1 1 1 226.1643 *226.1643* 226.1643@1.4257923 1 1 1 1431 4340 1 1191 2258 1 1 1 1523 1 1158 5527 1794 1 1 1 1 1620 1 1670 1384 1 1 3880 3940 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 6190 1 1 1269 1 1 1 1 1 1047 1 1 1 1 1 3122 3870 1 1 1185 1 1 1 1 1 1 1852 1 1 8457 1 3246 2296 1 1 1 1220 1 1 1 1 1 1 226.1643 *226.1668* 226.1668@2.1739645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1668 *226.1678* 226.1678@1.3596243 1 1 1 7946 1 1 1 1 1 1 1 1 1 1 1 14195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1678 *226.1681* 226.1681@2.851377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89281 1 1 1 1 1 1 1 1 24487 31316 1 1 1 1 1 1 1 1 25220 1 1 1 1 1 1 1 1 1 1 1 50728 53345 1 1 1 1 3758 1 1 4160 1 1 1 1 4383 39427 226.1681 *226.1683* C12 H22 N2 O2 + 2.7808425 139495 134822 130899 124021 135097 141947 162549 199372 129158 126573 151411 139949 158483 157869 179305 149238 228607 227205 147980 154134 123849 125607 130400 117900 223507 223336 136464 134245 248001 249702 119020 131189 107840 120850 161473 165067 222536 223137 101047 105883 102079 101557 209660 84816 122073 134362 221437 222913 123146 118114 106134 104839 107143 98749 46905 54732 95965 87692 94153 94610 122873 121757 83608 114648 139933 137900 132744 142453 146032 127885 105892 107657 124288 130437 95795 97156 109452 111105 134458 126560 110040 109496 116926 114673 115860 115420 120179 121331 30931 89588 226.1683 *226.1684* C12 H22 N2 O2 56615 60428 57628 65082 58515 54182 29284 1 66601 68880 53067 58074 51285 51771 1 58291 1 1 66325 56532 68251 65035 71916 83270 1 1 60758 61833 1 1 73855 67766 80309 72010 51147 49188 1 1 84529 80600 75499 79709 1 39143 51914 61442 1 1 74958 71939 1 1 1 1 104408 98937 78838 84503 85884 85053 1 1 89641 80886 1 1 1 1 58433 71640 1 1 66330 63534 1 1 1 1 38146 34075 1 1 1 1 1 1 1 1 95228 1 226.1684 *226.1689* C12 H22 N2 O2 + 4.5752525 1900 1721 2222 1 1746 1527 1752 1339 2117 1 1936 1857 1649 1738 1516 1668 1833 1534 1742 1 1567 1845 2223 1766 2174 1801 1889 1944 2290 1857 2106 1 1855 1761 1506 1 1657 1692 1772 1978 2050 1793 1687 1363 1571 1738 2127 2157 1747 2001 2136 1 1910 1974 1709 1 1725 1813 1902 1707 2146 2219 2284 2292 2048 1260 2339 1929 2073 1 1819 1870 1807 2112 1727 1748 1365 2069 1916 2409 2024 2014 1832 2574 1780 1704 1086 2122 1 2164 226.1689 *226.1725* 226.1725@5.4908524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.1725 *226.1863* 226.1863@2.0840714 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1 2455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1863 *226.1924* 226.1924@2.0475898 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1924 *226.1935* 226.1935@5.496225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1935 *226.1958* 226.1958@2.050584 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2467 1573 1 1 1 1 1 1 2714 1 1 1 1681 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1958 *226.1998* 226.1998@2.0811825 1 1 1 1000 1 1 1 2282 1 1 3668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.1998 *226.2026* 226.2026@2.0384448 1 1 12934 9327 1 1 1 1 1 1 1 7456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4261 6428 1 1 1 1 1 1 12367 13852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.2026 *226.2035* 226.2035@5.495853 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.2035 *226.2079* 226.2079@5.4859433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 226.2079 *226.2164* 226.2164@5.4796367 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 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1938 1 1 1 1 1 1 1489 1 1 1 226.2164 *226.2221* 226.2221@5.4915137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 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 1 1 1 1262 1 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1291 1 1 1 1 1164 1 226.2221 *226.2346* 226.2346@5.49282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.2346 *226.2434* 226.2434@4.0700226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.2434 *226.25* 226.25@5.4903855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.25 *226.2573* 226.2573@5.4907923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1054 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.2573 *226.261* 226.261@5.492712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1215 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 1340 1 1 1 1183 226.261 *226.2649* 226.2649@5.4911556 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 1 1050 1 1 1 1192 1 1 1 1 1 1 1 1547 1 1 1191 1 1 1 1 1 1 1622 1 1 1 1 1 1328 1 1 1662 1 1 1 1013 1 1 1 1 1 226.2649 *226.8317* 226.8317@4.040885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.8317 *226.8374* 226.8374@4.046596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 226.8374 *226.8497* 226.8497@4.0432673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 226.8497 *226.8548* 226.8548@4.0452905 1 1 1 1 1 1 1 1 1 1 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 1 226.8548 *226.8597* 226.8597@4.04496 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 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 1 226.8597 *226.8716* 226.8716@4.0439873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1164 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 1 226.8716 *226.8863* 226.8863@4.044851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1096 1 1086 1 226.8863 *226.9074* 226.9074@4.0402975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.9074 *226.9171* 226.9171@4.0384226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 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 1771 1 1477 1 1 1 226.9171 *226.9257* 226.9257@4.0396943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.9257 *226.9309* 226.9309@4.021047 1 1 1 1 1 1 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 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.9309 *226.9438* 226.9438@4.047112 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 1 1 1 1 1 1 1 1 1 1644 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 1 1 1 1 1 1 1 1 1 1 1 1 226.9438 *226.9555* 226.9555@4.0427217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.9555 *226.9666* 226.9666@4.040176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.9666 *226.9727* 226.9727@4.0326424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.9727 *226.9778* 226.9778@4.0463758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.9778 *226.9836* 226.9836@4.0349255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 226.9836 *227.0065* 227.0065@1.519417 1 1 1 1 1 1 1 1 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 1261 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 1 1 227.0065 *227.0105* 227.0105@4.050076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 227.0105 *227.0802* 227.0802@6.08597 1 1 1 1 1 1 1 1 1 1 1815 1 1785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 2389 1 1 1551 1704 2639 3362 1 1 1 1 1 1 1 1 1 1 2091 2251 1 1 1069 1 1 1 1 1064 1 1 3041 2651 1 1 5418 5268 2396 2922 1 1 2818 2858 2264 1148 2118 2000 1 1260 1 1 2282 2273 1 1 1 1 227.0802 *227.1002* 227.1002@2.997268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1002 *227.1004* 227.1004@2.9564211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3445 1 1 1 1 1 1 1 1 4600 4237 1 1 1 1 1 1 1 1 6527 13708 1 1 1 1 7051 7874 4866 4852 7541 8325 5087 4608 8251 11013 5078 4753 1 1 227.1004 *227.1008* 227.1008@2.6217253 2508 3513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1008 *227.1018* 227.1018@2.047345 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1018 *227.1051* 227.1051@2.0461206 1 1304 1 1 1 1 1716 1887 1 1 1 1 1 1 1 1 1 1 1 1 1747 1 1 2501 2364 1 1 1 1 1 2425 1926 1 1 1705 1 3100 3278 1 1 1 1 1 1 1 2090 2380 1 1 1 1 1 1 1 1 1 1679 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1051 *227.112* 227.112@2.0582807 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.112 *227.116* 227.116@1.4168454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.116 *227.1175* 227.1175@2.0486546 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 2070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1175 *227.1208* 227.1208@4.107169 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 227.1208 *227.1714* 227.1714@2.6310344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 227.1714 *227.1714* 227.1714@2.7958255 1 1 1 1 1 1 7022 1 1269 1 1 1 1 1 19175 1 1 1 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25279 1 5542 5654 1 1 3994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 1 1 1 1 1 1 1 1 1 1 1 1 3655 1 1 1 1 1 1 1 1 1 1 227.1714 *227.1883* 227.1883@1.1917284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 115543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.1883 *227.1886* C13 H25 N O2 33461 33222 37878 37860 34817 34327 33532 37518 37187 40354 40468 41861 39360 35693 35938 35900 36359 35494 36376 36737 32801 32571 36308 37493 33775 32040 37054 37516 37054 37825 35574 36075 31949 32999 39770 40497 31450 37440 38851 39315 36671 34723 36566 36948 39719 38129 31604 32618 33342 35139 37303 37163 32776 32361 35928 31957 30555 30932 36611 36420 28954 28150 32684 33780 31337 31631 32040 31393 30911 31768 31857 33644 33283 33907 32538 32589 30666 30439 32597 32505 33266 33592 40184 38569 30797 30631 39571 37460 35740 35823 227.1886 *227.1886* 227.1886@1.2273641 1 1 1010 1 1 98534 1 1 1 1 3569 1 1 119446 1 1 1 1 1282 1325 1 1 1 1 1 1 1946 2419 1 1 1 1 1 1 1 1 1 1380 1 147357 1 1 1 1 1 10243 1031 1 1 1 1 1 100969 100217 1 1 113187 115372 1 1 1 77890 1 1 3130 1 1 97266 1 1 1 1 1 1 70230 67490 4902 81505 18760 1 67795 87546 1 1 63634 65835 1 1 67568 49746 227.1886 *227.2512* 227.2512@4.0423107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11864 1 1 1 1 1 1 4748 1 1 4951 6448 1 1 1 5372 4071 6103 1 1 5790 5336 10867 4996 1 1 1 1 1 1 227.2512 *227.2559* 227.2559@4.041523 2451 4308 2764 3073 2499 2371 3248 3702 4078 1 3811 7125 4588 5141 4864 5870 6610 6470 8450 8907 3369 4190 4865 4909 2205 2724 6796 6026 4006 4136 6852 6457 4246 1 1 4054 6105 1 7758 8260 6335 6186 3961 4839 7452 8661 3903 4091 3493 3761 3729 4026 4887 3725 4282 1 9038 8645 12635 12255 1508 5191 6277 1 4434 5430 7517 1395 1 5143 1 2639 3638 3784 4414 1 1 1 7242 1 1 1708 1 1 7394 4443 6717 7060 10875 10700 227.2559 *227.2577* 227.2577@2.7848752 1 1 1 1 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 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3172 2517 1 1 1 1491 1 1 1 1 1 1171 1 3295 1177 1 1 2033 1 1 1 1 1 1 227.2577 *227.26* 227.26@4.316487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1 1 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 1 227.26 *227.2609* 227.2609@4.131296 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2127 1 1 1863 1 1 1 3042 1 1 1 1 3589 1 1 1 1 1 1 1 1 1 1 1037 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 227.2609 *228.0724* 228.0724@1.6566416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1216 1 1 1 1 1 1 1 1 1 1 1 1 228.0724 *228.0867* 228.0867@1.6650791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2599 1 1 1 1 1 1 1 1 1 1 228.0867 *228.0884* 228.0884@0.6523927 1 1 1 1111 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 228.0884 *228.0896* 228.0896@0.690659 1 1 1 1006 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 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0896 *228.0908* 228.0908@2.100732 1870 1 1 1 1973 3055 1986 2131 1 1 2400 1 1 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 2321 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 1889 1 1 1 1 1 1 1 1 1 1 1 228.0908 *228.0926* 228.0926@2.1422744 1 1 1 1 1592 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0926 *228.0931* 228.0931@1.2716929 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 1 1027 1 1 1797 1 1012 1 1 1 1 1 1 1 1408 1 1 1236 1 1 1 1 1 1 1 1 1 1 399105 1 1359 1 1 1925 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0931 *228.0951* 228.0951@1.2764461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1614 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 1656 1 1 1 1 1 2392 1 1 1 1 1 1 1 1 228.0951 *228.0952* 228.0952@2.9213037 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 1374 1 1 1 1 1 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 1610 1 1 1 1 4278 1819 1 1 1 1 3204 1 1 1 3427 3434 3717 3164 2586 1 1 1983 1 1 228.0952 *228.0959* 228.0959@2.9480844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.0959 *228.1026* 228.1026@2.9222753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 228.1026 *228.1231* 228.1231@4.1100135 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1231 *228.1258* 228.1258@1.1291552 1 1 2709 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 1224 1 1 1316 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 4007 1 1 1 1 1 1 1 1 1 1 228.1258 *228.1314* 228.1314@1.0789922 1 1 1 2818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1314 *228.135* 228.135@1.0517273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.135 *228.1375* 228.1375@1.3866999 1 1 1 1 1 1 1 1 1 1 1 3887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1375 *228.1456* 228.1456@1.3436517 1 1 1 1504 1 1 1 7157 1 1 1 1087 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 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 1 228.1456 *228.1465* 228.1465@1.3049494 1 1 1 1 1 1862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1465 *228.1471* 228.1471@7.9428387 2578 1771 1 1 1 1 1 1 1 1 1 1 1947 1629 1 1 1 1 7557 14739 1 3121 1 1 1 1 1 1 1 1 1 1 9660 1 1 1 7408 1 1 1 1 1 1 1 1 3052 1 1 1 1 1 1 1 1 1 2495 1 1 2137 1 1 7953 1 1 4471 3720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1471 *228.1471* 228.1471@8.06238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1471 *228.1473* 1-L-Leucyl-L-Proline 6956 4158 7601 6810 1829 1 11415 6668 4441 10101 18198 12747 6787 4488 7844 6971 6428 8244 17953 5199 11280 9618 5550 5956 10282 9840 23716 26362 6339 7232 11142 10577 11409 13219 8527 7460 3839 11338 9409 2708 8291 8273 8896 3927 1 4955 5795 1 4981 8300 9026 9032 12752 13971 3559 3670 11604 9431 5478 7133 1 24495 11211 15881 14062 16835 27709 25790 15361 10500 23407 27180 7949 7378 12411 11660 24129 18740 9969 16962 26868 17305 16061 12582 14089 1 24136 33594 14518 14688 228.1473 *228.1473* 1-L-Leucyl-L-Proline + 8.0396595 6901 8998 16386 12323 8636 9475 17985 17653 12558 11228 24765 25850 6166 7360 9420 9057 10772 11425 20487 24644 17048 3903 6389 6582 12139 11936 29311 30527 9083 8055 15312 15316 13327 16803 9391 10823 14537 13895 13458 9939 7274 11323 10158 15181 7190 11603 17128 18258 10166 10128 10299 7972 16192 16227 7242 6932 13390 15721 8800 10736 34298 25471 19050 19147 20411 21112 34067 27998 22721 18487 27037 35238 11632 10931 2617 12927 23584 27514 21128 24883 25010 28825 16204 16499 35502 30278 36237 32181 20397 19706 228.1473 *228.1723* 228.1723@2.8006577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1723 *228.1827* 228.1827@1.7039088 1 1 1 1 1 1 2748 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 1 3176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1827 *228.1829* 228.1829@1.5187418 1 1 1 1072 1 1555 1440 1429 1 1 1 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 6338 7069 2569 2930 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 228.1829 *228.1878* 228.1878@1.2393713 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1878 *228.2132* 228.2132@1.2382013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.2132 *228.2685* 228.2685@1.2312237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.2685 *229.0369* 229.0369@2.099133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0369 *229.0448* 229.0448@1.5217824 1 1 1 1 1 1 65971 2294 1 1 1 65844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49676 51818 1 1 1 1 1672 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 3134 3633 1 1 1 1 1 1 1 1 1300 1 1 1 1 1 1438 1 1 1 1 1 1 53591 2761 3099 2311 1 1 1 229.0448 *229.0494* 229.0494@1.5332998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 229.0494 *229.0763* 229.0763@2.0059426 1 1 13725 13429 1 1 1 1 1 1 1 1 3835 1 1 1 11636 13573 1 1 5795 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 1 1 1 1486 1 1 1 1 5334 5710 1 1 1 8771 1 1 1 1 1 1 1 1 1 1 3789 1 1 1 2996 1 1 1 1 1 7529 9463 1 1 1 1 1 1 1 7228 229.0763 *229.0765* 229.0765@2.032698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0765 *229.0772* 229.0772@3.0537238 1 1 11166 10659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8525 6563 1 1 1 1 1 1 1 1 229.0772 *229.0776* 229.0776@6.4405837 1 1 3967 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41119 39448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.0776 *229.0779* 229.0779@1.200296 1 1 93357 95767 1 1 1 1 10742 13839 1 1 17957 14622 1 1 19719 18733 1 1 43702 44599 1 1 3610 3771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22262 22098 1 1 1 1 1 1 1 1 1 1 66236 68409 1 1 88426 88292 1 1 1 1 1 1 1 1 1 1 9708 12002 1438 1 24543 24639 1 1 1 1 100970 99236 1 1 1 1 1 1 26675 28003 229.0779 *229.078* 229.078@4.058932 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.078 *229.0781* 229.0781@3.083604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 229.0781 *229.1243* 229.1243@1.1942055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 229.1243 *229.1267* 229.1267@2.1075196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5191 1 1 1 1 1 1 1 1 1 229.1267 *229.1288* 229.1288@1.1698229 1 1 1 1 1 1 1 1 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 1 229.1288 *229.1314* 229.1314@2.3891659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 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 2515 1 1 1 3029 1 1 1 1 1 1 1 1 1 2288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5807 1 1 1 1 229.1314 *229.1314* 229.1314@1.5320281 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1314 *229.1316* 229.1316@2.0784855 1 1 1 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 3595 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1316 *229.1317* 229.1317@2.476476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3832 1 1 1 1 229.1317 *229.1318* 229.1318@2.023945 5841 1 5431 1 5912 1 1 1 1 1 1 6000 5972 1 1 1 1 5002 1 1 1 6653 6189 1 5903 1 1 3193 1 1 1 3811 1 1 1 6880 1946 1 1 1 1 1 4480 1 1 1 6677 5814 1 3885 1 1 6522 1 1 4326 1 1 1 1 1 1 1 3848 1195 1 1 1 2656 5107 2945 1 3043 1 1 2931 1 1 3630 1 1 1 1 1 3775 8207 1 4116 1 1 229.1318 *229.132* C12 H15 N5 4700 8706 8033 3048 1981 1 1 4974 3723 10895 6678 2973 5629 1 1 4303 1 1971 1 1418 4528 4346 3346 10846 2278 1 2803 2514 10366 4106 1 2630 1 1 1 4228 5304 1 10204 4374 4543 11891 6288 1 9864 10858 4588 3560 2599 4829 13598 11179 5590 3783 1 2449 10955 11416 1 1 1 3194 1 10249 5502 5470 2219 10631 4664 5879 10733 7783 1931 4179 7031 2087 8333 9543 1 1 1 1 1 6090 5299 7300 12348 6034 1 1 229.132 *229.1323* 229.1323@4.4571714 1 1 1 1 1 1 1 1 1 1 1441 1 1 1 1 1 1714 1 1 1 1 1 1 1 1 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 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 1 229.1323 *229.1324* 229.1324@0.7473657 1 1 1 1 2357 1 1 1 1 3083 1 1 1 1 1 1 1 1 1 1 1 3627 1 1 1 1 1 1 4170 1 1 1 1689 1 1 1 1 1 1745 1 1 3919 1534 1 1 1 1 1 2831 1 1 4246 1 1 1 1 1 1 1 1 1 1 1 1 3313 1 1 1 4270 1 1 3403 1 1 1 1 2884 4608 1 1668 3663 1 1 2545 1542 1481 1374 2296 1 1 229.1324 *229.1325* 229.1325@3.0964978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 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 2694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1325 *229.1326* 229.1326@2.8778572 1 1 1 1 1 1 1 1 2427 1 2336 1 1 4402 1 1 1 1 1 8729 1 1 1 1 1 1 3444 1 1 1 1 8069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5622 1 1 1 1 1 1 1 1 1 1 1 2271 2819 1 1 1 1 2555 1 1 3276 1 1 1 1 3804 1 1 1 1 5522 1 3553 7621 1 1 1 1 1 1 1 3435 6499 229.1326 *229.1326* 229.1326@0.9269662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1251 1 2130 1 1 1 229.1326 *229.1328* 229.1328@1.8923106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 229.1328 *229.1328* 229.1328@0.8761282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1729 1 1 1 229.1328 *229.1328* 229.1328@0.64681786 1 1 1 1 4114 1 1 1 1 4161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2158 1 1 4116 1 1 1 1 1 2382 1 1 1 229.1328 *229.133* 229.133@3.3211784 1 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 1 3244 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.133 *229.1331* 229.1331@4.1177015 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 1 1 1 1 1 1 2010 1 1 1 2267 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 1 1 1 229.1331 *229.1331* 229.1331@4.6609745 1 1 1 1 1 1 1 1 1 1 2988 1 1 1 1 1 1280 1 1 1 1824 1 1 1 1 3188 1 1 1 1 1 1 1 1 1 1 4260 1 1 1 1250 1 1 1 1 1 1296 1 1 1 1 1 1 3472 1 1 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 1 229.1331 *229.1331* 229.1331@3.5125725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 229.1331 *229.135* 229.135@1.2100486 1 1 1 1 3148 1 1 1 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.135 *229.1429* 229.1429@7.897956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3011 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1 1 1 229.1429 *229.1447* 229.1447@7.8360257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 229.1447 *229.1454* 229.1454@1.2073481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4174 4050 1 1 1 1 1 1 9135 9642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1454 *229.1559* 229.1559@1.2295077 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 3220 1 1 1 1 1 1 1 1 1 1 1 1 1 9828 1 1 1 3695 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1559 *229.163* 229.163@1.2116696 1 1 10283 10533 2830 1 1 1 1 5366 1 1 1 1 1 1 1 1 1 7126 6259 1 1 10098 5693 1 1 1 1 1 1 1 1 1 6954 7764 1 1 1 1 7167 1 1 1 1 4753 1 1 1 1 1 1 1 1 11154 11716 1 1 1 1 4823 1 1 1 1 1 1 1 1 1 1 1 5631 1 1 1 3698 1 7239 6968 11787 11226 8729 7220 1 1 8544 10325 1 1 229.163 *229.1699* 229.1699@1.205202 1 1 1 1 1 1 1 1 1 1 16689 18067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20117 22340 1 1 1 1 1 1 1 1 18491 16064 1 1 1 1 5826 6168 32718 34993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.1699 *229.1787* C11 H23 N3 O2 13988 14903 17745 17772 13056 13428 20755 22222 13956 13762 19668 17933 12556 12762 15567 15960 11425 13040 20987 20898 12096 15093 13843 12855 21779 21833 19456 19664 12188 12622 16363 15349 22928 22463 20972 20515 23942 23824 18623 18046 38316 38655 20657 20360 15669 15178 18063 18122 12867 13468 19243 19384 17642 17033 17419 16821 13159 13463 17606 16578 20279 19056 29492 30156 18240 18672 18328 18792 16222 15708 19809 19956 19822 19785 13098 12859 18298 18779 19551 18272 17969 16749 19266 19500 29008 28676 18162 18082 19756 19718 229.1787 *229.2045* 229.2045@5.113042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 2184 1 1 1 1 1 1 1 1 1 1 229.2045 *229.2394* 229.2394@4.0178313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.2394 *229.2398* 229.2398@4.161157 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 2167 2455 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 2031 1 1 1 1 1 2046 1 1 1 2602 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 229.2398 *229.2413* Myristaldehyde 1649 1227 2248 2405 1 1714 1 2742 8769 8837 4907 1 2242 1826 1 1 1532 2416 1843 2052 10172 8531 14742 15994 2096 1 6016 6796 1 1 3862 4780 1340 2212 1628 2032 2279 2986 3385 1504 1946 2778 1948 1 5618 3470 1119 1 4274 2659 2258 2611 5794 4912 2743 3951 2812 2461 1571 3466 1 4295 3593 3255 4173 5746 12590 13418 1 5850 1 1502 1 1 1 1 1 1260 56990 58558 1569 1 1 5065 1 1 2073 1924 1 1 229.2413 *230.0581* Visnagin 1843 1791 1 1 1 1 1 1 2301 2387 1 1 1 1 2335 2271 1 1 1337 1286 1382 1432 1190 1 1515 1 2329 1997 1518 1 1516 1262 1 1 1222 1 1262 1194 1339 1804 1282 1 1 1 1516 1339 1 1136 1596 1609 1078 1122 1 1098 1 1 1 1151 1 1 1014 1525 1112 1 1 1063 1115 1 1 1375 1 1 1 1 1153 1 1048 1096 1 1 1 1 1 1 1 1 1 1526 1 1 C09049 230.0581 *230.0692* 230.0692@2.0313253 1 1 1786 2966 1 1 1 1 1 1 1903 1999 1 1 1 1 2927 1 1 1 1 1 1 1784 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1019 1 1 1 1 1 1 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1621 2434 1 1 1 1 1 1 1 1 230.0692 *230.0752* 230.0752@2.0161285 1 1 1 1 1 1 1 1 1 1 1 1 4588 4695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2643 1 1 1 1 1 1 1 1 1 1 3847 3402 12208 15009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 230.0752 *230.0774* 230.0774@5.8393908 1 1 1 1 1 1 1 1 1 1 1 1 2544 1 1 2081 1 4568 1 2279 1709 2204 1953 1 1 2317 1 1 1 1 2181 1 1 1 1 1 1 1 1024 1 1 1 2283 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1573 1 1 1 1670 1 1 1 1 1 1 2046 1 2852 1 1 1 1 1 1 1 1 1 1 1 1 2882 2184 2541 2353 2315 1 230.0774 *230.0785* 230.0785@1.4847629 1 1 1 1 1 1 1 1 1 1 1 1 4437 6340 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 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 1934 6406 4080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0785 *230.0797* 230.0797@1.7572011 1 1 1 1 1 1 1 1 1 1 1042 1 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 2647 1535 2473 2838 2608 5068 3936 1911 1 1 1 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.0797 *230.0819* 230.0819@1.5296899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0819 *230.0851* 230.0851@1.7599435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.0851 *230.0912* 230.0912@1.4766935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.0912 *230.095* 230.095@1.104037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30146 29060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.095 *230.0993* 230.0993@4.8003416 1 1 1999 1530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0993 *230.1006* 230.1006@1.1078734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1006 *230.105* 230.105@1.1534541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.105 *230.1097* 230.1097@1.2377535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1097 *230.1186* 230.1186@1.61125 1253 4104 1 1 2277 2546 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 1725 1 2650 1 2368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 3475 3981 1 1 1 1 2638 1877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14330 1 230.1186 *230.1204* 230.1204@1.2222418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 230.1204 *230.1209* 230.1209@1.5989563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.1209 *230.1249* 230.1249@1.2250167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1249 *230.1298* 230.1298@1.9350262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1744 1 1 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1298 *230.1348* 230.1348@1.2088395 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1109 1 1 1 1 1320 1 1 1 1 1 1 230.1348 *230.1353* 230.1353@7.39144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1189 1 1 1 1 1 1 1 1 1 1 230.1353 *230.1362* 230.1362@7.419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 230.1362 *230.1406* 230.1406@1.1709727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2785 2334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1406 *230.1448* 230.1448@1.1760706 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1308 1397 1 1 1 1 1 1 1 13711 13467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1328 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1448 *230.15* 230.15@1.2083236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.15 *230.1551* 230.1551@1.2051784 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2471 1 1 1 1 1640 1 1 1 1 1 1 1 3927 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1136 1246 1 1 1 1 1 1 1794 1 1 1429 1 1 1 1 1 1 1 1 1 1 1948 1 1 1 1 1 1 1 1 1 1 1304 230.1551 *230.1616* 230.1616@1.1945106 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1616 *230.1678* 230.1678@1.1857073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4812 1 1 1 1 1 1 1 1 2358 1 1 1 1 1 1 1 1 9136 1207 1 1 1 1 1 1 1 1 7357 4978 16205 13946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6886 1643 7974 7534 1 1 1 1 1 1 230.1678 *230.1792* 230.1792@6.9075575 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.1792 *231.0199* 231.0199@0.84370524 1 1 1 1 8932 9708 52533 52216 1 1 1 1 54851 55249 1 1 103532 103255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2555 1 1 1 1 1 1 1 1 176831 180523 1 1 1 1 1 1 1 1 69486 71002 1 1 1167 1 1 1 1 1 1 1 126602 125909 231.0199 *231.0214* 231.0214@1.432289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4840 1 1 1 1 1 1 1 1 1 1 5563 1 1 1 1 1 1 1 1 1 1151 6437 1 1 1 1 3869 4188 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4238 5078 1 1 1 1 1 1 1 1 4379 1 1 1 1 1 1 1 1 1 4083 1 231.0214 *231.0371* C8 H9 N O7 7789 7755 8048 8211 7570 7937 8256 7673 8468 9167 8281 7557 7616 7347 8230 7930 7710 7927 8140 8214 7689 8346 7606 7903 7485 6969 7807 7530 6531 6500 8035 8056 8013 8427 7811 7645 7312 7740 8113 8541 8207 8571 7685 7591 7597 7701 7554 7708 7088 7056 9474 9397 8599 8741 8341 9470 8021 8396 7778 7817 10886 11472 8952 9153 11727 10989 10440 9825 8734 8824 12829 11865 9056 8833 10097 9919 12167 11332 12188 11713 11440 11823 10990 11059 12555 13218 11184 11265 9858 9840 231.0371 *231.0561* 231.0561@2.8383777 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 2117 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0561 *231.0857* 231.0857@1.1998748 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.0857 *231.0906* 231.0906@3.3039412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 1 1 231.0906 *231.0908* 231.0908@3.2571883 1 1 5197 4565 11721 12142 3060 2418 1 1 1 1 7688 7825 1 1 1 1 1 1 1 1 1 1 7045 6633 1 1 1 1 1 1934 1 1 1 1 1 1 1 1 1 1850 1 1 2157 2012 1683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 2701 1 1 1 1 2350 2666 3741 7160 1 1 1 1 1 1 3828 7264 1 1 1 1 1 1 1 1 1 1 231.0908 *231.0914* C6 H13 N7 O S 1 1 1920 1821 1 1 1224 1 1 1 1 1330 1 1672 1264 1 1 1397 1 1401 1436 1629 1729 1245 1 1454 3064 2924 1723 1651 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1695 2013 1631 2053 1 1082 2143 1755 1 1 1907 1 2018 1804 1 1 1 1291 2818 2740 1 1686 2092 2283 1902 1 1 1 1 1854 1 1 2687 2513 1212 1 1812 1850 2675 2393 1441 1568 231.0914 *231.0917* 231.0917@2.0426633 1 1480 1 1 1 1 1 1 1273 1416 1171 1 1465 1 1 1210 1 1 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1250 1297 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1447 1 1 1 1713 1 1 1 1 1 1 1 2160 1 1635 1789 1 1 1 1530 1 1 1 1 1 1 231.0917 *231.1192* 231.1192@1.2061926 1 1 8951 8191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1192 *231.1262* C11 H21 N O2 S 1 1 1126 1259 14969 9894 2327 5157 1 1 1 1 1 1 1 1 1 1 1588 3069 1 1 1 1 13961 14628 1 1 1 1 6971 11099 1 1 1 1 1 1080 2853 5712 1 1 1 1 2825 5078 2089 4460 1 4530 1 1 1 1 1 1 1 1 1 1 4809 5265 3945 3082 1 2313 1 1 9558 8841 16990 16736 1 1 1 1 1 1 3987 5743 1 1 1 1 1 1 1 1 1 1 231.1262 *231.1269* 231.1269@1.5317513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1269 *231.1371* 231.1371@1.2016045 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1371 *231.1382* 231.1382@1.4581444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 1092 1 1 1 1 1 1 1 1 1 1 231.1382 *231.1407* 231.1407@1.6741555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 231.1407 *231.1464* 231.1464@1.2083706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1464 *231.1469* 231.1469@6.753464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1469 *231.1471* C11 H21 N O4 22239 22057 32813 32040 51273 51384 45157 45674 28971 29565 39344 39127 26661 26219 22142 24491 33502 32409 31901 31456 21114 21134 33291 33957 22882 23134 48297 48605 19288 18598 33955 33909 37530 35112 12808 12929 32971 33442 16993 16692 19582 19053 38411 39801 20728 21267 34191 33979 21684 21239 21252 21317 34772 31806 68335 66088 27795 27792 20910 20350 67587 62683 28414 27292 35912 37293 36869 35862 32285 33282 30364 29689 74211 72442 23781 23271 39445 38885 35129 34497 18863 18443 37036 37918 30562 31746 72596 71976 19955 18536 231.1471 *231.1593* 231.1593@1.2038206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.1593 *231.1625* 231.1625@4.455949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6458 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 1 231.1625 *231.1665* 231.1665@4.376938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3114 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 1 231.1665 *231.1817* 231.1817@1.2188646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3783 3554 2229 2049 1 1 1 1 2037 2206 231.1817 *231.2192* 231.2192@4.402904 1 1 1 1 1 1 2493 2226 1 1 1 1 3979 3270 2086 1860 1 1 9679 9213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1665 1860 2547 2660 2427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4776 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 1 231.2192 *231.9781* 231.9781@0.7646575 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 2092 2042 1377 1237 1445 1623 1 1069 1 1 1 1 1 1161 1 1 1 1 1789 1783 1 1 1 1 1039 1523 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3862 3558 1 1 1477 1 1 1483 1 1 1 1 1793 1486 1589 1 1 1 1 1 1 1 1 1 1 1 3492 3717 1076 1 231.9781 *231.9859* 231.9859@0.7874223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 2039 1 3132 1 1 1 1 1 3675 2042 1 1 1 1 1 1 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 3299 1 1 1 3521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 231.9859 *231.9922* 231.9922@0.7977657 1 1 3598 3368 1 1 1 1 1 1 5087 4598 1 1265 1 1 1 1 1 1514 1 2114 1 1 1886 1616 1 1 1 1 1 1 1 1 1 1174 3431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 3009 3064 1 1 1944 1707 1 1 1 1 1 1 1 1 3421 1 1 1 1 1 1 1 1 1 2774 2295 2500 2402 1 1493 3538 3740 1 1 1 1 231.9922 *232.0557* 232.0557@2.959028 1 1 1 2360 1 2211 1 1 1 1 1 1 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 3012 1 1076 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 1425 1 1 1 1 1 1 7770 8926 1 1 1 1 1 1 9904 1 1 1 1 1 232.0557 *232.0562* 232.0562@2.9832525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0562 *232.0565* 232.0565@2.9354136 1 1 1 1 1 1 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 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 1 232.0565 *232.0572* C9 H12 O7 1 1660 1 2015 1 1979 2654 2016 1722 1 1 1 1 1 1 1 1 1 1 3207 1 1 2034 1957 1 1086 1 1 1 1 1338 1 1140 1 4679 1 7934 2228 1 2457 1 3167 1 2587 2349 1 2473 5063 1 1 6822 5932 6363 5139 1 2538 1 1 1105 1119 8895 8628 1 1 2857 7572 1 1 4674 3856 13063 12890 1 1 4667 3622 3363 1268 1611 6887 8341 8845 4608 6385 1015 10256 6666 5858 2727 8196 232.0572 *232.0579* 232.0579@3.2830484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1791 1 1 1 1 1 232.0579 *232.0723* 3-(a-Naphthoxy)lactic acid 1 1543 1945 1940 1920 1491 1 1807 1674 1156 1 1843 1714 1 1 1729 1586 1672 1 1594 1 1382 1 1683 1 1 1518 1 1713 1540 1922 1640 1395 1029 1 1628 1 1 1363 1816 1717 1504 1525 1787 2306 1 1890 1 1846 1760 1815 1806 1823 1622 1935 1746 1904 1781 2161 1 1 1 1617 1282 1 1506 1378 1 1 1427 1 1389 1546 1 1217 1 1 1 1545 1570 1651 1439 1657 1 1392 1093 1799 1421 1525 1 232.0723 *232.0736* 232.0736@1.1408554 2883 1 1904 1 1 2483 2152 2225 1 1 1 1 1 2787 3184 2698 2546 1 1789 1818 1 2327 2442 1 1 1 1892 1 1 1 1 1960 1 1 2297 1 2151 2323 1 1 1 1 1 1 1 1 2008 1 1774 1 2476 1 1 1 1 1 1 1 1 1 2034 1669 1 1 1 1 2651 1 1 1 1 1 1 3460 1 1 1 1 2275 1 1 1 1 1 1 1 1 1 1 1 232.0736 *232.0795* 232.0795@2.9221382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4232 1 1 1 1 1 1 1 1 1 1 232.0795 *232.081* 232.081@2.0357904 1 1 1 1 1 1 1 3957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4717 4257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.081 *232.0864* Nalidixic acid 5038 5329 5988 5609 2602 2749 4359 1 5685 5578 5413 6111 5812 5450 5317 5766 4151 3613 5800 5596 6420 6509 6046 5826 5809 6230 11782 11560 7199 7878 5659 5214 1 1 3385 3644 1 1 4653 4687 3316 3251 2346 2096 4278 4588 5240 4781 7408 7002 7294 7710 3918 3555 7666 7179 3778 4623 4080 4176 7252 7892 3787 3331 6463 5456 10354 10609 6813 6524 7579 6741 3640 3950 3723 3354 7633 7100 5522 6808 7802 9133 6532 5944 6592 5672 9952 9883 4431 4899 C05079 232.0864 *232.0936* 232.0936@3.2467947 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0936 *232.0947* 232.0947@1.4307821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110156 111016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.0947 *232.1146* 232.1146@3.877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 1 1 1 1 1 1 1 1 1 1 232.1146 *232.1172* 232.1172@3.9473166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1663 1 1 1 1 1 1 1 1 1 1 232.1172 *232.1175* 232.1175@1.3924451 1 1 1 1 1 1 1 1 1 1 1 1 1 1457 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 1 1 1 1 1 1 1 1 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 1 232.1175 *232.1191* 232.1191@1.2282469 1 1 1 1 1 1 1 1 1 1 1 1441 1 1 1 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 2145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1191 *232.1237* 232.1237@1.2169228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 232.1237 *232.1267* 232.1267@4.044272 1 1561 1 1940 1 1 1 1 1 1 2281 2315 1 1855 1 1 1801 2595 1 2382 1876 1 1 1 1 1 1 1 1267 1 1 1 1 1 2018 1 1 2972 1 1 1 1 2442 2369 1182 1705 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1580 1 1 1 1 1832 1 1 1 1 1 1 1 1 1 1 3509 1099 1 1 1 1 1 1 1 1 3046 3029 232.1267 *232.1272* 232.1272@4.0439167 1 1 1 1 1 1 1649 1776 1 1 1 1 1789 1 1 1 1 1 1996 1 1 1 1866 1824 1431 1 1 1882 1 1763 1 1 1913 1814 1 1841 2607 1 2458 2068 2208 2404 1 1 1 1 1743 1942 1435 1 1 1 1 1 1491 1 1 1 1995 1756 1 1 1 1681 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 1 232.1272 *232.131* 232.131@1.0949724 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.131 *232.1333* 232.1333@3.998421 1 1 1 1 1 1 1 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 1 232.1333 *232.1363* 232.1363@1.0983441 1872 2309 1 1484 2258 1 1 1 1 1 1 1 1 1 1 1 3023 1 1 2519 1672 1 1 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 1 1 1 1 1 2502 1 1 1 1395 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 1 1 1 1 1 1 232.1363 *232.1406* 232.1406@1.8849567 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8767 10175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1406 *232.1409* 232.1409@1.0888927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1409 *232.1415* 232.1415@1.1341145 1 1 1 1 1 1646 1 1 1 1 1 1 1 1 1 2923 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1415 *232.1433* 232.1433@1.9249818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.1433 *232.1529* 232.1529@1.2058798 1 1 1 1 1 1 1 1 1093 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 1432 1 2387 2233 1 1 1 1 1 1 1 1642 1 1 232.1529 *232.1615* 232.1615@1.2018181 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 1440 1 1 1 55147 52699 1 1 1 1 1017 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 1184 1 1 1 1 1 1 2219 1 1 1 1 1 1 1 1 232.1615 *232.1673* 232.1673@1.1493673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5103 5358 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12883 7508 1 1 1 1 1 1 232.1673 *232.1674* C12 H24 O4 1 1 1 1 1 1 1 3960 1 1 1 1 3183 3840 1922 1 1 1883 3400 1 1 1946 3222 2333 1594 1 2100 1981 4034 4133 2547 3449 1821 2009 1 1 1546 1 1 1165 6210 8137 1 1 1 1 1 1 1 1 4266 5606 29917 23637 1264 1051 1397 1 1 1527 1 1 1 1 1226 1 1578 1 1588 1 1 1 1 1048 1271 1931 1 1 2397 1 1998 4764 3638 4627 1 1 1850 1 2051 2200 232.1674 *232.2639* 232.2639@3.2850835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 232.2639 *233.0367* 233.0367@1.8707186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25545 1 1 3254 2720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.0367 *233.1138* 233.1138@1.859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 233.1138 *233.126* 233.126@1.2382851 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.126 *233.1264* C11 H23 N S2 1 1964 1 1 6746 6715 1282 2765 1377 1357 1479 1351 1264 1 1 1 7996 5789 2862 2772 1020 1 1 1 1 1 6612 6050 1 1 1 1 1 1405 1 1 1692 1 1 5181 2694 1408 2213 1968 1808 3626 1 1 1 2333 1867 1 2654 1 1 1 4391 3862 1 1 2793 1 2595 3582 3609 10497 2919 4101 4484 5637 1 1 1 1 7362 5571 1955 2632 2576 2417 2098 2640 1467 2698 2456 3140 1699 3974 6069 5936 233.1264 *233.1288* 233.1288@1.1206231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2051 1 2392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1811 1 1 1 1 233.1288 *233.1304* C8 H19 N5 O S 1 1 3225 2485 1 2832 1219 1 1 1 1 1 1 1 2090 2988 1 1 1 2027 1 1 1250 2332 1 1 1537 1 1 2527 2896 2174 1 1 1 1 1 2259 2559 1 1081 1 1 2486 1 1 2053 2626 1 1 1 1032 1092 1074 1959 1 1 2098 1762 2132 1895 1 2106 1 1 1 1 1614 2304 4049 1457 3892 1 1 1 1 1 1 2792 3928 1396 1005 1 1084 1 1 1361 1 1 1 233.1304 *233.1368* 233.1368@1.0981578 1 1 4543 3303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 233.1368 *233.1397* 233.1397@3.2656796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 233.1397 *233.1425* 233.1425@1.126278 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1255 1 4024 3364 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.1425 *233.1509* 233.1509@1.148113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1400 1 1 1 1 1 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1062 1 1 1 1 1 1 233.1509 *233.8373* 233.8373@3.499753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 233.8373 *233.8645* 233.8645@3.4491572 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 233.8645 *234.0013* 234.0013@1.5202502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1468 1 1 1 1 234.0013 *234.0767* 234.0767@1.6753793 1 1 1 1 1484 1 1 1 1 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 1 234.0767 *234.0771* 234.0771@1.6717986 1 1 1 1 1 1755 1358 1 1 1 2852 2046 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 4711 4137 1 1 3903 1 2719 2141 1 1 1 1 1 1 1 1 1351 7060 1 1 1 1 234.0771 *234.087* 234.087@2.9744291 12180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22334 1 1 1 1 1 1 1 1 1 1 1 5771 5505 3009 2776 1 1 1 1 1 1 7381 7212 1 1 1 2793 1 1 1 1 19330 19691 1 1 1 1 10192 12463 7483 9068 12237 20520 9064 8543 15545 16203 7365 7417 4536 3062 234.087 *234.0877* 234.0877@3.0019982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 234.0877 *234.0895* 234.0895@4.1195173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0895 *234.0951* 234.0951@2.971464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.0951 *234.1033* 234.1033@3.0117393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1033 *234.1106* 234.1106@1.3434927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 63343 67138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1106 *234.1163* 234.1163@1.3438585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1163 *234.146* 234.146@1.2420775 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.146 *234.1502* 234.1502@1.1507974 1 1 6195 1 5920 6774 7381 9571 7726 7441 7070 5202 16236 11766 10676 9062 6021 5842 10880 10009 9261 7800 8251 5201 11450 10615 11120 7665 12604 10279 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 2924 1 1 12611 15207 1 1 1 1 1 1 1 1 1 1 234.1502 *234.1557* 234.1557@1.1551269 5649 6726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4438 4751 5760 3475 4097 3284 3935 3757 1 4104 4124 5342 1 3190 6469 1 1 2883 4176 1 1 3543 3679 4347 7543 1 3316 234.1557 *234.1618* 234.1618@1.1426467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3729 5141 1 1 1 5842 1 4292 5124 4214 3145 5175 3380 3528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 234.1618 *234.1678* 234.1678@1.3972836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1678 *234.1681* 234.1681@1.1208005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6467 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 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 234.1681 *234.17* 234.17@1.1910273 3261 1 1 1422 1 3343 2671 3142 2292 2627 2274 1961 1 1 1 1 1103 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 234.17 *234.1719* 234.1719@0.64851725 1 1 1 1 2668 1 1 1 1 1 1 1 1 1 1425 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15655 1 1 1 1 1 1 1 1 1 1 9373 1 1 1 1502 2203 1 1160 1655 1 1 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1719 *234.1723* 234.1723@2.010464 1 1 1 1 1 1 1 1 1 1 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 6704 1 1 1 1 1 1 3082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1723 *234.1724* 234.1724@2.9523046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1724 *234.1724* 234.1724@2.9937444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1724 *234.1727* 234.1727@2.1177232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 234.1727 *234.173* 234.173@3.51825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2545 1 1 1 12997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28399 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 1 1 1 1 8047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.173 *234.1732* Lidocaine 250225 248379 267096 267675 53765 57414 177004 175245 2836574 2846234 265980 269924 95068 97077 384398 382128 381785 381777 371067 375317 2178955 2174733 1256116 1262870 277706 283199 666669 671973 999535 1006884 9.47E+07 9.81E+07 935619 891436 1883625 1865625 889296 898536 308559 287781 202615 206352 484640 480543 1034266 1022831 422452 425133 120324 117175 170106 172322 381025 373116 366912 368447 1359363 1375054 1997513 2009782 1138728 1131041 161118 162459 46296 46015 397824 399677 674733 677348 153590 148205 981429 954532 31481 30285 9663796 9849093 1562075 1574054 1.46E+07 1.47E+07 2.21E+07 2.28E+07 2071538 2060699 7882639 7959332 260277 259948 C07073 234.1732 *234.1733* 234.1733@3.9712605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11170 1 1 7786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1733 *234.1734* 234.1734@5.503809 1 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30893 1 11442 1 13990 1 1 1 6840 1 1 1 5775 9448 1 1 1 1 1 1 1 4376 2591 5092 1 1 1 1 1 1 1 1 3096 1 2437 1 3177 1350 1 1 1 1 1 1 1 1 5358 4278 8414 4399 1 1 1 1 1 1 234.1734 *234.1734* 234.1734@5.6386786 2437 1 1 1 1 2051 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 25505 1 22932 1 1 1 1 1 1 1 1 1 5915 1 1 1 1 1 1 1 1 1 4911 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 5421 1 1 1 1 1 1 234.1734 *234.1735* 234.1735@5.9287467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10820 1 1 1 1 1 1 1 1 1 3753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1647 1 1 1 1 2865 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 234.1735 *234.1737* 234.1737@5.7739353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14578 1 1 1 1 1 1 1 1 1 11720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1737 *234.1809* 234.1809@1.2080089 1 2366 1 1 9340 1 1 1 1 1 1 1 11069 4515 2964 1 1 1 11358 3055 2209 4936 3562 3845 3330 3969 4113 3293 11718 11411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.1809 *234.8284* 234.8284@3.4162447 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.8284 *234.833* 234.833@3.3679233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 234.833 *234.84* 234.84@3.3689184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 2244 1 1 1 1 1 1 1 234.84 *234.8544* 234.8544@3.2806337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2852 1 1 1 234.8544 *234.8609* 234.8609@3.2371106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8200 1 3572 1 1 1 1 1 1 1 234.8609 *234.8615* 234.8615@3.6731415 1 1 1 1 1 1 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 1 1 1 1 1 1 1 234.8615 *234.8712* 234.8712@3.400058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 234.8712 *234.882* 234.882@3.4348202 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.882 *234.894* 234.894@3.2795691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 234.894 *234.8947* 234.8947@3.8448157 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.8947 *234.9071* 234.9071@3.7177699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9071 *234.9189* 234.9189@3.2050228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9189 *234.9264* 234.9264@3.3165512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1872 6138 1 1 1 2093 1448 1 1 234.9264 *234.9279* 234.9279@3.610794 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9279 *234.9291* 234.9291@3.9506352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9291 *234.9355* 234.9355@3.2431953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4886 1 1 1 8047 1 1 1 1 1 1 1 1 1 234.9355 *234.9393* 234.9393@3.7289195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9393 *234.9393* 234.9393@3.3183827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 234.9393 *234.9461* 234.9461@3.3692963 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9461 *234.9595* 234.9595@3.2429037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5888 1 1 1 1 1 1 1 1 1 1 1 1 1 234.9595 *234.9643* 234.9643@3.1912796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6180 1 1 1 1 1 1 1 1 234.9643 *234.9791* 234.9791@3.3226345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10440 1 1 1 1 1 1 1 234.9791 *234.985* 234.985@3.5034661 1 1 1 1 1 1 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 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 1 234.985 *234.9878* 234.9878@3.2315235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4411 1 1 1 1 1 1 1 1 1 1 1 1 234.9878 *234.9898* 234.9898@3.3859699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2008 1 1 1 1 1 1 1 1 234.9898 *234.9925* 234.9925@3.1613698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 234.9925 *234.9987* 234.9987@3.342956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1138 1 1 1 1 1 1 1 1 1 234.9987 *235.0069* 235.0069@3.19034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5536 1 1 1 1022 1 1 1 1 1 1 1 1 1 235.0069 *235.0152* 235.0152@3.2543564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.0152 *235.0334* 235.0334@3.3827813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6599 1 14445 1 1 1 1 1 1 1 235.0334 *235.0415* 235.0415@3.2897267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 1484 1 1 1 1 1 1 1 1 1 1 1 1 235.0415 *235.0486* 235.0486@2.8634412 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 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 1 1 235.0486 *235.0595* 235.0595@3.2096646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7474 1 1326 1 1 1 1 1 1 1 235.0595 *235.0691* 235.0691@3.4243443 1 1 1 1 1 1 1 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 3080 1 1 1 1 1 1 1 1 1 1 1 1 235.0691 *235.1005* 235.1005@2.1893854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7754 6906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1005 *235.1006* 235.1006@1.295713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 235.1006 *235.1033* 235.1033@1.2971978 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1033 *235.105* 235.105@1.8715124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3232 3620 1 1 1 1 1 1 1 1 1 1 235.105 *235.1068* 235.1068@1.8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.1068 *235.1116* 235.1116@1.3243347 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 235.1116 *235.1215* 235.1215@1.130614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15611 12459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84475 82921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1215 *235.1292* 235.1292@1.1423982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 235.1292 *235.1465* 235.1465@1.2087379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 2781 1 1 1 1 235.1465 *235.1567* C11 H25 N O2 S 9524 9958 7951 9739 1 3974 2598 1 1 3388 10744 12044 1 3408 1 3772 5669 6940 3241 1 2363 1988 3400 2803 8824 1 9149 9634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14827 14248 8100 4208 1 1 1 11551 3282 3721 11284 6266 3782 9436 1 1 1 2160 2645 2547 1 1 4898 3483 3432 4159 1 1 1 8207 1 1 1 3118 1 1 9293 3882 1 13291 1 1 8736 1 1 2425 235.1567 *235.1618* 235.1618@1.201649 1 1 1 1 1 1 1 1 1 1 1 1 8706 1 1 1 1 1 1 11050 1 1 1 1 1 17134 1 1 9596 8511 1 1 1 1 1 1 16637 21216 1 1 6434 12253 12343 14351 1 1 1 1 9146 9762 9770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1618 *235.1666* 235.1666@1.2011625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3211 8013 1 1 1430 5785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1666 *235.1759* 235.1759@0.6436212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7140 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1759 *235.176* 235.176@13.644469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.176 *235.1772* 235.1772@5.5257144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13690 3721 3992 1 1 1 1 1 1 2913 1 1 1 2187 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 1 235.1772 *235.1772* 235.1772@3.5969574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 235.1772 *235.1774* 235.1774@5.361763 1 1 1 1 1 1 1 1 1 1 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 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1774 *235.1776* 235.1776@3.4484653 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 1 1 1 1 469615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.1776 *235.178* 235.178@3.3908584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.178 *235.1919* 235.1919@1.7146047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1750 1 1 1 1 1 1 3097 2801 1 1 1 1209 1 1 1 1 1 1 1119 1 1 1 1 1 235.1919 *235.2017* 235.2017@1.253024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.2017 *235.2129* 235.2129@1.0834109 1 1 1 1 1 1 4359 1601 1 1 1 1 1 1 1135 3438 1 1171 1 1 8517 1 1 2254 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 1638 1 1 1 1 1487 1 1 2171 1 1100 1 1 1 1 1 1 1 1524 1214 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 235.2129 *235.214* 235.214@1.0853149 1 1 1 1 1 1 1305 7483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.214 *235.8339* 235.8339@3.2533586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.8339 *235.8594* 235.8594@3.536391 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.8594 *235.8681* 235.8681@3.540358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.8681 *235.8991* 235.8991@3.3006518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7115 1 1 1 1 1 1 1 235.8991 *235.9013* 235.9013@3.2277102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.9013 *235.9104* 235.9104@3.4750035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9104 *235.9164* 235.9164@3.2456114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 1 5804 1 1 1 1 1 1 235.9164 *235.9201* 235.9201@3.1949003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.9201 *235.9259* 235.9259@3.3122292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 1 1 235.9259 *235.96* 235.96@3.2751842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 235.96 *235.9715* 235.9715@3.3469207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1970 1 1 1 1 1 1 235.9715 *235.9843* 235.9843@3.2875202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 235.9843 *235.9867* 235.9867@3.6078093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 235.9867 *235.9912* 235.9912@3.2277155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7151 1 1 1 1 1 1 235.9912 *236.0065* 236.0065@3.4615679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 236.0065 *236.0105* 236.0105@3.4423418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.0105 *236.03* 236.03@3.4778986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.03 *236.041* 236.041@3.3817043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 236.041 *236.0494* 236.0494@3.2966552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.0494 *236.079* 236.079@3.467085 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.079 *236.1002* 236.1002@2.1922865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30710 29801 1 1 1 1 1 1 1 1 1 1 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 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1002 *236.1158* 236.1158@1.4108373 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1158 *236.1196* 236.1196@2.038454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3280 1 1 1 1 1 1 1 1 1 1 236.1196 *236.1214* 236.1214@1.1974854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 236.1214 *236.1249* 236.1249@1.937989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1879 1 1 1 1 1 1 1 1 1 1 236.1249 *236.1251* 236.1251@2.0129275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 236.1251 *236.1263* 236.1263@1.229838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1046 1 13665 1 1 1 1 1 1 1 1 1 1 236.1263 *236.132* 236.132@1.3023849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 236.132 *236.1444* 236.1444@1.1743594 1 1 1 1 1 1 1 1 1 1 1 1 1 1535 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 1 1 1 1 1 1 1 1 1498 1046 1 2381 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 236.1444 *236.1474* 236.1474@1.2047586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 236.1474 *236.1521* 236.1521@1.2308369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 2329 1 1 1 1 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 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1521 *236.1523* 236.1523@1.2521529 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 1 1 1 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 1 1 2082 1 1 1 2598 1 1 1 236.1523 *236.1527* 236.1527@7.3144455 1 1 1 1 1 1 1 1 1898 1878 1478 1678 1 1 1 1 1 1 1 1 3739 3685 1 1 1 1 1254 1322 1 1 1 1 1 1 1 1 2091 1496 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 2826 1493 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 236.1527 *236.1534* 236.1534@4.4289846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1773 1 1 1 1 1 1 1 1 1 1 1 1 236.1534 *236.1561* C18 H20 1 1071 1 1690 1 1044 2261 2100 1298 1245 1 1098 2791 1 1715 1599 1 1593 1 1 1669 1379 1 1 1362 1584 2079 1 1291 1278 1528 1 1 1 2394 1 1 1 2663 2419 2038 1227 1304 1 1 3123 2153 1268 2292 1617 1 1914 1 1 2790 2187 1807 1994 1556 1679 1150 1247 1437 1 1541 1501 1 1366 1043 1 1 1 1456 1475 1 1 1 1 3842 1140 1703 2760 1368 1 3537 3086 1 1521 1412 1512 236.1561 *236.1613* 236.1613@1.217418 1 1 1 1 1 1 1074 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 1077 1 1 1 1 1680 1 1 1 1347 1 1 1 1355 1201 1405 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 4163 1 1 1 1 1 1 1 1 236.1613 *236.167* 236.167@1.1094737 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1145 3861 1 1 1 1 1215 1 1 3301 3045 1409 1 1 1018 1 1 1 1956 1841 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1197 1 1 1 1 1 2032 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 1 236.167 *236.171* 236.171@1.2726381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 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 1 1 1 1 1 1 1 1 1 1 1 1 236.171 *236.1784* 236.1784@4.0870867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.1784 *236.1792* 236.1792@3.4155247 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45090 1 1 1 1 1 1 1 1 1 1 1 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 4874 2556 1 1 1 1 1 5032 1 1 1 1 236.1792 *236.1792* 236.1792@3.9416778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.1792 *236.1803* 236.1803@1.0649768 1 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 1 1 1356 2820 1 1 1 1034 1 1 1 1 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1155 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1803 *236.1806* 236.1806@4.712314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.1806 *236.8253* 236.8253@3.3119168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1 1 1 1 1 1 236.8253 *236.8715* 236.8715@3.3194 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.8715 *236.9044* 236.9044@3.4532282 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.9044 *236.907* 236.907@3.301889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.907 *236.9336* 236.9336@3.301651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.9336 *236.9401* 236.9401@3.337142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 236.9401 *236.9523* 236.9523@0.81111103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 236.9523 *236.9661* 236.9661@3.31573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.9661 *236.9665* 236.9665@3.467085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236.9665 *237.0205* 237.0205@3.3530662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0205 *237.0717* 237.0717@1.4176555 1 1 53928 57486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0717 *237.0719* 237.0719@1.5946865 1 1 12447 18328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0719 *237.0734* 237.0734@1.6513736 1 1 3870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.0734 *237.092* 237.092@3.8564453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46495 45100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114381 115546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.092 *237.1017* 237.1017@3.2966301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1017 *237.1019* 237.1019@2.0330782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1429 1 1 1 1 237.1019 *237.1187* 237.1187@1.4322491 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1187 *237.1326* C9 H15 N7 O 1 1 1 1 1 1 1 1 2459 2078 2224 1467 1 1 1 1 1 1 1900 3772 2795 2624 1 1 1 1 3825 2210 1 1581 1 1 3746 4210 1 1 2674 1485 4942 5583 1 2174 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 2200 1 1 1 2977 3277 3438 3930 3069 1 1 1 1 1 1 1793 2154 2876 4781 1 1 1 2243 1 2828 1 2161 1 1 237.1326 *237.1392* 237.1392@1.2177078 1 1 1 1 3504 2959 1 1 1 1 1 1 1 1 3239 2836 1 1 4644 4623 2409 3176 1 1 1 1 1 1 1 1 3406 1 5816 5261 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 3089 1 1 1 1 1 1 1 3277 3363 2809 3718 1 1 1 1 3804 3397 1 1 1 1 3037 2900 1 1 3747 1 1 3395 1 1 1 1 1 1 3831 1 1 1 1 1 237.1392 *237.1421* 237.1421@1.2241968 1 1 1 1 1 1 1 3829 3277 2741 1 1250 4011 4253 1 1 1 1 1 1 1 1 1 1635 1 1 1 1 3328 3413 1 1 1 1 1 1 1 1 1 3254 1 1 1 1 1 1841 1 2698 1 2367 2798 1 1 2359 1 1 1 1 1 1 1 1 3820 3653 1 1 4741 4639 1 1 1 1 1 1 1 1 3289 1 1 1 1 1 1 1 1 1 1 3239 2799 1 237.1421 *237.1507* 237.1507@1.2115152 3274 1 1 1 1 1 3619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4203 1 1 1 1 1 1 1 1 1 3209 237.1507 *237.1591* 237.1591@1.2169416 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1 1 2848 1 1 1 1 1 1 1 1 1 1 1 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 3516 1 1 1 1 1 1 1 1 237.1591 *237.1629* 237.1629@1.2205389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1629 *237.1742* 237.1742@1.2118378 1 1 1 1 1 1 1 1 1 1 1 5846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5767 5284 1 1 1 1 1 1 1 1 5965 1 1 1 1 1 1 1 2867 6779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1742 *237.1764* 237.1764@1.2008274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.1764 *237.1804* 237.1804@3.302681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3445 2357 1 1 1 1 1 1 1 1 237.1804 *237.2822* 237.2822@3.4680746 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.2822 *237.8649* 237.8649@3.3997948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.8649 *237.8817* 237.8817@3.4977236 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.8817 *237.9073* 237.9073@3.3028777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.9073 *237.9472* 237.9472@3.4709604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 237.9472 *237.9844* 237.9844@3.4085333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 237.9844 *238.0249* 238.0249@3.420572 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0249 *238.0323* 238.0323@2.5160275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2275 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 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1948 1973 1 1597 1 1 238.0323 *238.063* 238.063@3.3295727 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.063 *238.0716* 238.0716@2.2517438 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.0716 *238.0838* 238.0838@1.5517118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1611 2651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3128 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 1 238.0838 *238.1312* Secobarbital 11467 13587 12013 8175 8453 10220 14755 10507 10128 11941 7949 9603 11658 15991 10628 9993 8773 9548 12600 11318 10648 10514 7534 12451 8719 9176 10643 10968 7799 9954 9779 14374 9757 9763 13314 10267 10883 10371 1 9536 1 9666 9580 9982 10899 13091 10611 10455 10366 8205 8364 9080 12216 9831 8724 8777 14139 10708 7973 9974 10208 10616 8087 11078 8440 9529 11658 7458 9775 11405 7762 7225 16315 8934 9338 9060 6861 7046 14193 14810 10745 10896 7118 6946 9605 9361 10128 11523 9393 10151 238.1312 *238.1407* 238.1407@0.7510188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1407 *238.1409* 238.1409@1.6316398 1 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3384 1 1 1 1 1 1 1 1 6198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6349 1 1 1 1 1 1 1 6798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1409 *238.1413* 238.1413@1.2262788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6611 1 1 1 1 4596 1 1 1 1 1 1 1 1 3810 1 1 1 1 1 1 1 1 1 1 1 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 1 3715 1 1 1 1 1 4490 6905 1 1 4742 5823 1 1 1 5711 1 1 1 1 1 1 1 238.1413 *238.1414* 238.1414@1.9997904 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 2881 1 1 1 1 1 1 1 3542 1 1 1 1 1 6476 1 1 1 1 1 5694 1 1 1 1 4001 1 1 1 1 1 1 1 1 1 1 2290 1 5620 1 1 1 1 1 1 1 1 1 1 1 5475 1 1 1 1 1 1 1 1 1 1 1 1 238.1414 *238.1415* C10 H22 O6 241145 181604 140411 204937 239013 232597 100458 132743 168935 183623 152241 143214 170975 165352 117066 105043 578452 570785 154943 156705 79524 81971 102690 103103 166882 176140 111355 108766 222611 148077 225966 213824 49880 49406 118972 107631 157311 111716 78572 122742 111711 120798 238186 237485 183124 198668 153194 155005 83841 124550 82119 85969 124097 122937 111589 110012 138515 135890 117733 111405 158188 158859 133315 133997 122162 120120 69693 84151 179521 177089 190942 187087 127340 122049 129226 130142 149482 155909 1260938 1258381 151815 150661 87768 86442 105293 113366 146104 152047 74256 75360 238.1415 *238.1415* 238.1415@3.4469767 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 1829 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 1 238.1415 *238.1415* 238.1415@0.64201206 1 1 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 1 1 12839 1 3184 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 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 1 238.1415 *238.1416* 238.1416@2.8273816 1 1 1 1 1 1 1 2733 1 6400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1 1 1 1 2219 1 1 1 1 1 1 6344 1 1 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3931 1 1 1 1 1 2555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1416 *238.1826* 238.1826@3.3394608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1826 *238.1969* 238.1969@1.1685098 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 3155 4380 1 1 1 1 1 1 3909 4175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.1969 *238.2263* 238.2263@1.0823399 2902 2647 3556 3680 7019 6114 4162 5127 4183 3953 1 1 4104 5221 6215 1 1 1 4656 5179 4591 4911 5647 5424 4814 5235 1554 2401 1 6401 4462 3669 5367 4633 5581 1 3371 3288 1 1 5893 1 4230 1 2352 2249 1667 2044 1 5501 9614 1 7313 4226 6204 4817 1 1 1 1 4270 1 5345 5511 1 3470 2061 1458 4864 5122 1 1 2860 3387 1624 1417 3361 3626 2673 3062 1874 1919 1 1 1 1 4007 4328 2887 2759 238.2263 *238.2279* 238.2279@1.082854 1 1 1 1 1 1 1 1 1 1 4539 4387 1 1 1 5511 5850 5396 1 1 1 1 1 1 1 1 1 1 7297 1 1 1 1 1 1 6280 1 1 6112 5618 1 6291 1 3913 1 1 1 1 4791 1 1 9358 1 1 1 1 1 1 5174 6309 1 2510 1 1 4364 1 1 1 1 1 5712 5811 1 1 1 1 1 1 1 1 1 1 6197 6464 1 1 1 1 1 1 238.2279 *238.2339* 238.2339@3.6941617 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.2339 *238.2376* 238.2376@3.7333515 1 1 1951 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.2376 *238.2692* 238.2692@3.3170605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10706 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.2692 *238.2701* 238.2701@2.1436217 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12080 11566 1 1 1 1 1 1 1 1 1 1 238.2701 *238.2916* 238.2916@3.4154682 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.2916 *238.8444* 238.8444@3.3908916 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8444 *238.8468* 238.8468@3.3285837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.8468 *238.9003* 238.9003@3.3622067 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9003 *238.9027* 238.9027@3.2959573 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9027 *238.9795* 238.9795@3.3431635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9795 *238.9975* 238.9975@3.3167188 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 238.9975 *239.0088* 239.0088@3.3916929 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0088 *239.0103* 239.0103@1.1285446 1 1 1 1 1 1 1 1 3156 2890 1 1 1 1 1 1 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 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 1 239.0103 *239.0309* 239.0309@3.3345165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0309 *239.0374* 239.0374@3.3839672 1 1 1 1 1 1 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 1 239.0374 *239.0719* 239.0719@3.3088093 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0719 *239.0828* 239.0828@2.975945 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 2182 1 1 1 1 1 1 1 1 239.0828 *239.0894* 239.0894@3.8523364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16528 16274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.0894 *239.0976* 239.0976@5.8093896 1 1 1163 1 1 1 1527 1694 1510 1820 2274 1738 1049 1 1 1 3368 3343 1706 1526 1 1 1 1125 1 1 1075 1258 1 1 2428 2631 1 1 1395 1361 3008 2710 1 1 1 1 1043 1358 1 1 2138 2422 1 1 4002 3510 1 1426 1674 1917 1329 1803 1 1 1 1609 1346 1254 1104 1 1 1 1697 2580 1 1229 2874 2722 2044 1559 1 1 1988 1472 1 1 1 1 1264 1683 6109 7251 1 1 239.0976 *239.1135* 239.1135@1.7130644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 70505 69681 1 1 1 1 1 1 1 1 1 1 239.1135 *239.1266* 239.1266@3.3332615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1266 *239.1408* 239.1408@1.2253934 1 1 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 3132 4264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1408 *239.1451* 239.1451@2.208218 1 1 1 1 1 1 1 1726 1 1 1 1 1 1346 1 1 1 10483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12037 1 1 1 1 1711 2021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1447 1 2478 1538 1 3971 1 1 1 2105 2526 1 2167 1 1 1 1 6589 1 239.1451 *239.1455* 239.1455@1.2232697 1 1 3623 4351 1 2031 1023 1883 1 1 1 1 1 1 1 1 1 1 1 1480 1 1 3462 1 1 2040 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 3019 1 1 1 1 1 1 1 1807 1 1 1927 1 1 1 3031 1 1946 1 1 1 1 1 1 2381 1 1 1 1 1 1 1 1 1 1 1 1 239.1455 *239.1469* 239.1469@1.5412188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1469 *239.1476* 239.1476@1.2277435 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 1 1 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1488 1 1 1513 1 3277 5657 1 1 1711 1 1 1 2464 1 1 1 1 1 2074 1786 1 1 1459 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 1 1 1 1 1 1 1312 1 1 1 239.1476 *239.154* 239.154@3.4516864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.154 *239.1554* 239.1554@1.210662 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8121 11597 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 3610 1 1 1 1 1 1 1 1 1 1 1 239.1554 *239.1599* 239.1599@3.3926833 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1599 *239.1681* 239.1681@1.206194 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1681 *239.1756* 239.1756@1.1985962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2815 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 1 1 1 1 1065 1 2710 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 3369 1 1 1 1 1 1 1 1 1 1 1 1 1419 1808 1 1 1 1 1079 1 1 1 239.1756 *239.1784* 239.1784@1.1842265 3729 1 1 1 2428 4051 2141 3728 1 1 1 1 1054 1676 2165 1 1 1 1 1932 1 1055 4159 4367 1 1 1 1 3650 3157 1063 1105 2364 1 1 1 1 1 2739 1 1 1397 1 1 1 1 2670 1329 1 1 1 1 1 1 1 2912 1 1562 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 2070 2599 1 1 1 1241 1 1 239.1784 *239.1881* 239.1881@1.1895725 1 4807 10711 10926 1 1 1 1 4530 4071 46084 42007 1 1 1 1 1 1 1 1 1 1 1 1362 9160 7898 21258 27311 1 1 1 1 1 5568 15429 15106 16761 25840 1 1 1 1 1 4818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.1881 *239.2636* 239.2636@3.3104897 1 1 1 1 1 1 1 1 1 1 1 1 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 1 239.2636 *239.8229* 239.8229@3.3542945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.8229 *239.8358* 239.8358@3.4067202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.8358 *239.8891* 239.8891@3.3274708 1 1 1 1 1 1 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 7037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.8891 *239.933* 239.933@3.4025893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.933 *239.9534* 239.9534@3.3147414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9534 *239.9637* C4 H8 N4 S4 18963 18478 18511 17936 19259 18296 17665 18177 19213 19535 18737 18030 18294 18639 18593 19370 17638 17371 18292 18030 19960 19179 19786 18936 16654 19140 19271 18931 17137 16897 19065 19132 19715 19286 19278 18268 17419 18766 19974 20030 19603 19939 17946 17989 18188 19561 18337 18172 19143 19445 28760 28570 24824 24546 23076 22647 20413 21429 20618 19920 27513 27564 19927 20511 24937 24176 24106 24490 19692 19780 31985 32384 19928 20114 21486 22891 29950 30990 29495 28295 30814 31217 29887 30038 30877 31082 29145 29271 24304 23968 239.9637 *240.0104* 240.0104@3.309798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0104 *240.0484* 240.0484@2.194246 1 1 1 3666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4661 1 1 1 1 1 7355 6728 1 1 1 1 1 4154 1 4283 1 1 1 1 1 1 1 1 1 1 1 1 6101 5089 1 7110 6448 6902 3901 1 1 1 1 5240 1 11697 1 1 4107 1 1 1 1 1 5699 1 1 1 1 1 1 1 1 4743 240.0484 *240.0515* 240.0515@1.1924263 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1307 1330 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1020 1309 1 1146 1 1 1 1 1 1 1 1070 1 1 1 1 1366 1276 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0515 *240.0567* 240.0567@4.6887465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0567 *240.0611* 240.0611@1.1963251 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0611 *240.0794* 240.0794@3.3088093 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.0794 *240.0857* 240.0857@1.9455807 1 1 1 1 1 1 1 2419 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 3260 3254 1 1 1 1 1 1 1 1 1 1 1 1 1 2885 1 1 3443 1 1 1 1 1 240.0857 *240.0873* 240.0873@1.9424174 1 1 1 1 1 1 1801 2176 1 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5147 1 1 2081 1 1 1 3953 2387 1 1 1 1124 4305 1 3282 1 1 1 1 1 1 2271 1 1 3241 1 1 6084 1 1 1 1 1 1 1 2195 1 3599 1 3936 1232 1 1 1 2298 3699 1 1 1 1 1 3342 1 1 1 1 240.0873 *240.0875* C9 H20 O3 S2 1 1 1 2940 1 1 3226 1194 2426 1 1 3052 2133 1 1 1 2171 2285 2052 1320 4392 4952 1259 1 1 1 1 2179 1 1 9489 5656 1 2177 6825 6592 5218 4690 7959 2485 3399 1582 2292 2411 1 1529 2424 7444 1701 2156 1 1234 3422 5589 4020 1307 1230 1 1188 1096 8378 3650 6279 1 2218 1 1549 2155 6861 4990 6392 2784 5170 1575 2927 5003 3020 2759 1 1474 4336 1585 1 1667 2244 3397 1 3283 2360 2190 240.0875 *240.0891* 240.0891@1.4206356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1099 1207 1 1 1 1 1 1 1 1 1 1 1 1 2496 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 2398 1 1 1 1 1729 1529 1 1 1565 1872 1 1 1 1 240.0891 *240.0908* 240.0908@1.8856002 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 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 1299 1 1 1 1 1 1 1 1 1 1 240.0908 *240.1009* 240.1009@1.2139941 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 1980 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1009 *240.1017* 240.1017@1.5767008 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 2730 1 1 1 1 1 1 1 1 1 1 240.1017 *240.102* 240.102@2.3147144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 1 1 1 1 1 1 240.102 *240.1031* C12 H17 Cl N2 O 1 1253 1 1489 1 1 1329 2053 1152 1 1 1 2167 1966 1223 1167 2031 1 2531 2307 2108 2153 2065 2562 2538 2229 2375 2259 3207 3509 1420 1719 1 1 1 1 1 1833 1 1 1722 1734 1939 1762 1893 1 2039 1322 2326 2389 1 1 1 1 1 1 1497 1639 1733 1907 1 1 1 1248 1 1 1 1 1398 1376 1 1 1819 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1598 240.1031 *240.1065* 240.1065@2.0448203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3834 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1065 *240.1076* 240.1076@2.8007915 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1076 *240.1254* 240.1254@3.377758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1254 *240.1298* 240.1298@1.2091126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 240.1298 *240.1402* 240.1402@1.2125654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1402 *240.1438* 240.1438@2.231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 240.1438 *240.1445* 240.1445@1.2143346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1445 *240.1475* C12 H20 N2 O3 14946 14864 19692 19552 15971 15277 22410 20810 19411 20046 12797 14240 8417 16969 14448 12873 17618 14730 15451 28289 18284 10426 22408 22366 15306 14537 10556 22554 14195 13907 22873 22933 22037 21134 18784 17181 32666 32321 25206 25461 21732 15667 20891 6145 23459 23493 22865 15169 16134 15170 24286 10607 24680 24473 16317 15618 15886 15933 23711 21701 34030 33458 24403 9928 25354 26184 21187 20069 27654 25245 60812 60327 14370 13489 18339 20515 38570 39120 43952 43533 42602 43834 27219 26513 48052 48985 33966 34056 36605 37461 240.1475 *240.148* 240.148@8.124834 1 1 1 1 1 1 1 1 1 1 4167 5321 1 1 1 1 1 2773 12476 1 1 7390 1 1 1 1 11755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5375 1 14746 1 1 1 9035 1 1 1 13287 1 1 1 1 1 1 1 1 1 1 1 12654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.148 *240.149* 240.149@2.161311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.149 *240.1501* 240.1501@1.2110658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2285 1 1 1 1 1 1 1 1 1 1 240.1501 *240.1575* 240.1575@1.1938245 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2431 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2565 1 1 1 1612 1 1 1 1 1 1207 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 2647 1 1 240.1575 *240.1686* C10 H20 N6 O 6327 5066 1 4279 4687 4352 5057 1 1 6667 1 1 1825 7565 1 6698 2592 4055 7061 1 6425 5831 1726 1 1 1 1 1 1 1 3811 3899 2613 1470 3552 3735 3508 1 1798 1 1 3143 1 1 3462 2946 1 1 2809 1 1695 4159 1 4505 3301 3275 1 1 1 1 2856 3619 1769 3162 1 2707 4209 1 1 1 1 1 1 3756 1 1 1 1 3085 2597 1 1 1541 2632 1 1686 1 3642 3606 3936 240.1686 *240.1704* 240.1704@1.120371 5417 1 1 1 1 1 1 8478 5100 1 1 3958 5745 1 5452 1 1636 1 1 4556 1 1 6944 1 1 8492 1 1 6674 7226 1 1 1 1 1 1 1 1 4248 1 1516 1 4472 1 1 1 1 1 1 2886 2911 1 1 1 16679 5093 1 1 1 3025 1 1 1927 1 1 1 1 1 3350 1 2332 1 3023 1 1 4671 3517 1 1 1 4454 4484 1211 1 1 1 1 1 1 1 240.1704 *240.1705* 240.1705@1.1866314 1 1 1 1 1 1 1 1 6147 1 1 1 1 1 1 1 3977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8455 2118 1 1 1 1 1 1 1 240.1705 *240.18* 240.18@1.1965047 1 1 4765 10306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4232 1 6507 1 1 1 1 1 1 1 1 1 5009 1 1 1 1 1 1 1 6678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.18 *240.1829* 240.1829@3.4164588 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1829 *240.1906* 240.1906@1.0569823 1 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.1906 *240.1953* C12 H24 N4 O 2202 2597 1941 1 1719 1483 1196 1453 1 1826 1720 1205 1754 1227 1970 1654 2189 1797 1 1804 1661 1636 2078 1962 1789 1720 1 1708 2204 2041 1701 1591 1788 1 1 1 1 1894 1733 1893 1550 1783 2227 2188 1557 1957 1 2066 2208 1867 1656 1928 1628 1796 1427 1 1382 2073 2128 2897 2650 2450 1793 1836 2264 2164 1684 1 2241 1960 1396 1791 1364 2375 31089 32281 2508 2778 2791 2608 3051 3416 2484 2288 2543 2696 2384 2540 1975 1 240.1953 *240.2064* 240.2064@1.0205917 1 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2162 1 1 240.2064 *240.2169* 240.2169@3.4255192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.2169 *240.2466* 240.2466@3.3088093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.2466 *240.2728* 240.2728@3.330291 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 240.2728 *240.8236* 240.8236@3.3649502 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.8236 *240.9161* 240.9161@3.4065518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.9161 *240.9911* 240.9911@5.6240797 1 1 1 1219 1 1 1019 1 1 1 1202 1 1 1 1 1056 1502 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1439 1166 2175 2286 1 1 1528 1177 1333 1 1591 1556 1 1340 1433 1276 1 1 1 1 1330 1671 1 1077 2295 2286 1 1 240.9911 *241.0048* 241.0048@5.8361096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 241.0048 *241.0267* 241.0267@1.0925173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 241.0267 *241.049* 241.049@3.396827 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.049 *241.0797* 241.0797@1.1770763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0797 *241.0802* 241.0802@3.3790212 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.0802 *241.0966* 241.0966@1.2971925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3794 4100 1 1 1 1 1 1 1 1 1 1 241.0966 *241.097* 241.097@2.6177676 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 2326 1 1 3660 1 1 4278 1 1 1 1 1 1 1 1 2558 1 1 1 1 1 1 1 1 1 1 3388 3638 1 1 1 1 1 1 1 1 3264 3364 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 3926 1 1 241.097 *241.0981* C11 H16 Cl N3 O 5924 5709 5671 5660 5887 5671 7955 7859 5438 6115 6208 6611 9796 9456 5696 7268 6990 9755 8836 11525 8212 8660 10164 9242 3567 5047 9300 10986 11740 12976 6316 6443 5616 5043 6434 6675 5934 3867 7153 6397 6716 7355 6478 6854 6568 7299 7954 7629 12230 11934 3422 1 3668 5055 5908 6009 6894 6497 7955 8526 1192 2452 4856 5255 3000 1 2724 3446 6428 6782 1 1867 7384 7080 3293 3340 1 2041 1 1 1 1 1 1 3562 1 2513 1 5349 6067 241.0981 *241.1231* 241.1231@3.737921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80035 78651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44060 49466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1231 *241.1232* 241.1232@3.7967556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26186 36678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1232 *241.1239* 241.1239@3.9707375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851560 851894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308422 309007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1239 *241.1471* 241.1471@4.0938473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7894 8163 2797 3607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5070 5520 241.1471 *241.1511* 241.1511@8.129677 1 1 1 1 1 1 1 1 1 1 2332 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 2801 1 1 1 1 1 1 1 1 1 1 1 2942 1 1 1 1 1 2149 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 241.1511 *241.1592* 241.1592@1.2062231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 241.1592 *241.1653* 241.1653@1.2088294 1 1 1 1 4237 1 1 1 1 1 1 1 3873 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 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 1 1 4980 1 1 1 1 3692 1 1 8138 2253 1 4384 1 1 1 1 1 1 1 1 1 1 1 1 2211 1 1 1 1 1 241.1653 *241.167* 241.167@1.7176083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.167 *241.1684* 241.1684@3.3392026 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 241.1684 *241.1699* 241.1699@1.2094969 1 2596 2680 4957 1 1 3640 4138 1948 1631 1 1 1 1 3540 3063 2219 2160 5151 3985 1863 3552 2109 3000 1 1 1964 1 2573 2324 19892 1260 1 1 1 1 2402 1 1610 1988 3175 1 1 1073 1280 1 2338 1 1579 1 1 3202 1 2841 3090 1 1945 1565 1528 3688 1 2177 1951 1942 1499 1 1 1580 1 1 1 1 2224 1414 2114 1 1315 1 1 3064 1 1866 1411 1 1 3022 1 1 2648 1 241.1699 *241.1768* 241.1768@2.3826911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.1768 *241.1787* 241.1787@1.2052743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3324 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 2552 1 1 1 241.1787 *241.184* 241.184@1.2024182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 3210 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 1 241.184 *241.1916* 241.1916@1.1885947 2916 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 241.1916 *241.1975* 241.1975@1.1695185 1 2874 4923 1 1077 1 1 1949 2344 2083 1 1 2408 2493 1375 2073 1140 1190 1359 1376 1181 1541 1983 1 6562 7022 17201 12726 1864 2069 1327 1174 3689 1 1 1 14342 16906 2186 1 5756 1 1 4046 30592 1 2146 2499 1707 1 1 1841 1768 2623 5790 1 1976 2485 1809 2290 1 1411 1246 1627 1029 1 1 2345 1059 1 1 1 1928 1755 1702 1039 1321 1419 2103 2736 3790 3150 5542 5405 1233 1 1 3996 1 1 241.1975 *241.2023* C10 H23 N7 2332 2348 2348 2594 2419 2659 2918 2332 2063 2447 3579 9617 1907 1624 2454 1628 1815 2249 2375 1986 2331 2147 2172 2549 2404 2437 3222 3694 2392 2441 2511 2454 1885 2410 2457 1 2280 2799 1814 2623 2162 2526 3766 2126 1 1 1999 2514 2276 2456 2490 2235 2838 1930 2382 2626 2645 1529 2105 1677 1790 2209 2294 2633 2176 2109 2349 1897 2189 1975 2036 2605 2093 1882 2339 2243 1856 1763 1 2125 2523 2896 2467 2980 2617 2099 2639 2600 2129 1 241.2023 *241.2037* 241.2037@1.1063825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2037 *241.2039* 241.2039@1.1573346 1 1 1 3718 1 1 1 1 1 1 1 3248 1 1 1 1 1 1 1 1 1 1 1 2696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2002 1 3489 1 1 4072 13694 1 1 1 1 1 1 1 1 1 5204 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 2115 241.2039 *241.2759* 241.2759@3.4480102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 2207 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3220 1 3109 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2759 *241.2761* 241.2761@1.6064423 1 1 1 1 1424 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1188 1 1 1 1 1 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1427 1 1517 1 1 1 1 1 1 1 1329 2122 1 1 241.2761 *241.2761* 241.2761@3.3935215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4275 1 1 1 1 1 1 1 2591 1 1 3379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2761 *241.2762* 241.2762@2.2292037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 241.2762 *241.2763* 241.2763@3.813307 1 1 1 1 1 1 1 1 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 4125 1 1 1 1 1 1 1 1 1 1 1 6718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4083 1 1 1 1 241.2763 *241.2764* 1-Hexadecylamine + 3.8312354 1 1 1 1 3814 1 1 3337 2310 1 3176 1 17442 9003 1 13511 1 6562 4297 1 1 14305 1 1 1 1 1 3662 3738 1 1 4443 2697 5041 4850 2280 1 5746 1 1 1 1 1 1 4596 3458 8969 10784 1 4953 1 1 1 1 1 17595 1 1 2674 1 11824 1 20459 3965 1 2012 1 14811 2147 1 1 1 14277 15074 1 10572 1 1 1 10509 1 1 1 1 1 6103 8676 1 1 1 241.2764 *241.2764* 241.2764@3.4601078 1 1 1 1 2040 1 1 1 1 1 1 1 1 4365 1 3110 1 1 1 1 1 1 1 1 1 8435 1 2913 1 1 6658 1 1 1 1 1 1994 1 1574 1 1 1 1 3535 1 1 4004 1 1 1585 1 1 1 4819 1957 1 1 1 1 1 1 1 2613 1 2422 1 1476 1240 4719 1 1 1 1 4669 1 3484 1 1 1 1 1 1 1 1 1 1 1 1 1 3270 241.2764 *241.2764* 241.2764@1.2286314 1896 1505 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1621 1 1653 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 2623 1 1 1 1 1 1 1 1932 1 1869 1 1 241.2764 *241.2767* 241.2767@2.417733 1 1 1 1 1321 1 1 1 1 2455 1 1 2161 1 1 1 1 1 1 1 1 1 1 1 1 2339 1 1 1 1 1 1 1 1 1 8069 3978 1 1339 1 1 1 1 1 1 1 1098 1 1 2811 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2767 *241.2767* 241.2767@3.3149993 1 1 1 1 4029 1 1 1 1 1 1 1 1904 10470 1 1 1 1 1 1 1 1 3905 1 1 1 1 4716 1 1 1 1 1 1 1 1 2880 1 1219 1892 1 1 1 1 3738 1 1913 1 1 3674 1 2234 1 2807 1 6098 12607 1 1 1 1 1634 1 8520 4299 4932 3570 3768 2170 1 1 1 1 4963 1 1 1 1 1 1 1 1 1061 1 1 1 1794 1 1 1 241.2767 *241.2767* 241.2767@3.989845 1 1 1 1 1 1 1 1 1 1 2801 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 5496 6364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6043 1 1 1 1 241.2767 *241.2767* 241.2767@2.4777415 1 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 2615 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2767 *241.2769* 1-Hexadecylamine 17505 7623 13937 4960 17228 5985 11001 1 19304 5698 1 19733 17260 19947 1 6956 1 21793 9965 14475 1 17484 16760 1 1 13059 17288 1 7026 1 1 1 7656 7809 17610 8701 11714 1 14115 12720 8226 17290 9624 21595 19322 20961 1 10483 1 13947 29889 27603 27648 16696 8832 20188 20445 1 14187 10183 42577 27904 18392 15873 23916 29759 29230 1 23414 17847 40107 25171 15968 8851 14156 19351 1 45876 39055 40097 49815 43303 48936 1 33152 44068 38840 41236 25376 20181 241.2769 *241.2769* 241.2769@4.2145762 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.2769 *241.2772* 241.2772@2.6788187 1 11043 1 12100 3007 1 1 1 1 10118 1 1 1 1 1 1 1 1 1 1 1 1 5739 1 1 3414 1 1 10382 1 1 1 6518 5178 3066 3758 10769 1 1 7958 10889 1 1 1 1 1 1 8413 1 3545 8396 5630 1 5304 9204 1 1 1 5695 12456 1 3899 4049 5225 1 1 1 1 4411 1 21741 34036 1 10631 7547 6921 1 1 1 1 1 13319 1 1 15386 1 1 1 1 2649 241.2772 *241.2774* 241.2774@4.03551 1 1 1 1 1 1 1 1 1 1 13783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19753 1 1 1 1 1 1 1 1 1 1 16614 13665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 1 16545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23409 1 1 1 1 241.2774 *241.2775* 241.2775@1.8137388 1 1 1 1 1 1 1 1 1 1 1 1091 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 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1226 1 1 1 1 1 1 1 1 1 1 1 241.2775 *241.8944* 241.8944@3.359008 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.8944 *241.9146* 241.9146@3.3847592 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 241.9146 *241.9194* C4 H2 O8 S2 10348 10715 10014 10666 8135 3830 9700 11220 8728 11657 9237 11008 10785 7597 10598 4109 7754 10384 8586 8424 10650 11399 10901 2694 3805 7643 11018 11578 10171 2954 2413 11470 11473 10696 2310 11747 3644 12129 12354 11194 13037 12737 11604 11761 9585 3611 11702 11288 12232 12696 15415 14360 15220 14641 13002 12235 10302 11109 12414 9803 13770 14322 11743 10540 13190 14000 12782 13588 11594 9255 15165 17050 11766 12548 13254 13773 15992 15575 14312 15118 15577 13953 16906 15676 14629 15793 15607 15074 13735 11442 241.9194 *241.9199* 241.9199@5.5766177 1 1 1 1 1 7434 1 1 1 1 1824 1 1 2929 1 7134 3006 1 2745 2641 1 1 1 8815 7268 2731 1 1 1 7470 8885 1 1 1 9768 1 8205 1 1 1230 1 1 1 1 1 8980 1 1 1 1 1 1 1 1 1 1 2640 1 1 2458 1 1 1 1575 1 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 241.9199 *241.9724* 241.9724@3.3550465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 241.9724 *242.0402* 242.0402@2.980122 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 1 1 1 1 2330 1 1 2598 2495 1 1 1 1 1 2236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0402 *242.0657* 242.0657@2.0299425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1120 242.0657 *242.0793* 242.0793@1.5255585 1 1 1 1 1 1 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 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 1173 242.0793 *242.0803* 242.0803@1.4995393 1 1 1 1 1 1 1626 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3391 4033 1 1 2306 1863 1 1 1 1 1244 1289 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 2126 2884 1 1 1 1 1 1 1 2458 5489 7075 1 1 1 1 1717 1356 1 1 3423 1981 242.0803 *242.0837* 242.0837@1.5131229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0837 *242.0876* 242.0876@2.077638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.0876 *242.0922* 242.0922@1.1948953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1149 1 1 1 1 1 242.0922 *242.0966* 242.0966@2.9635947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 242.0966 *242.1038* 242.1038@1.2092246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 242.1038 *242.1134* 242.1134@1.2123771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19272 18270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1134 *242.1172* 242.1172@1.0551624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2312 1 1 1 1 1 8991 1 1 1 1 1 1 1 1 1 1 1 1 2228 1269 1 1 1678 1609 1 1292 1 1 1 1 1 1 1 1 1071 1605 1 1 1 1 1 1 1 1 1 1 1 1025 242.1172 *242.1495* 242.1495@1.089486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1794 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 1767 1 1 1058 1 1 1 1 2110 1 1 1 1 1 1 1 1 242.1495 *242.1524* 242.1524@1.0998424 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 2325 1860 1 1 1 1 1 1 3033 1 2759 2579 2832 2806 2037 1 1254 1 2039 1 1 1062 1 1 1 1 1 1 2849 3110 2271 2208 1216 1 1006 1 1 1 1473 1 1 1 1241 1257 1556 1 2251 2125 1 1 1781 1 1256 1388 1 1 1 1 1889 1 1656 1881 1 1 1 3931 2675 1 242.1524 *242.1547* 242.1547@1.2619734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 242.1547 *242.1618* 242.1618@1.1783293 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1606 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1115 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 2809 1 1 1 1 1424 1 2157 1 1 3315 1799 1 1 1 1 242.1618 *242.1645* 242.1645@1.2112572 1 1 1 1 1 2929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7402 6074 1 1 1 1 1 3438 1 1 1 1 242.1645 *242.1726* 242.1726@2.9269354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1726 *242.1731* 242.1731@1.2100031 1 1 1 1 1 1 1 1 1 1 1 1 1 5401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 2630 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 1 1 1 1 1 1 242.1731 *242.1744* 242.1744@2.8884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1933 1 1 1 1 1 1750 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1744 *242.1751* 242.1751@5.7072496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4613 10329 10500 3301 4900 26813 5230 14852 13798 6510 6131 1 1 1 1 8103 8879 3323 3014 1 4894 13446 15436 12177 11082 8989 9886 11333 11824 242.1751 *242.1761* 242.1761@5.8114967 4221 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 1 1 1 1 6937 6017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26267 25153 56372 58132 24903 26019 122887 123732 65211 66118 35726 36951 15575 15307 10018 10319 46233 47429 22839 22820 31366 32074 54763 55191 59529 60286 49197 50690 58460 57732 242.1761 *242.1762* 242.1762@6.935075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1762 *242.1763* 242.1763@6.949605 2471 1538 1 1 1 1 1 1 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 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31135 29725 59896 57865 34074 34871 113302 112450 68478 69430 44991 44805 21631 21104 8334 10230 51509 52804 31116 33052 36202 36170 40737 39821 58395 64102 55256 55551 63047 60815 242.1763 *242.1785* 242.1785@1.2068671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 242.1785 *242.1868* 242.1868@1.2041012 1 2290 1967 1 1 1 1163 1 1 1216 1 1 1 1 1981 1247 1 1 1 1072 1 1 2038 1 1 1 1 1 1217 1 1 1040 1 2136 1 1 1 1 1 1362 1 1 1 1 1 1 1 1 1 1 1404 1250 1 1 1 1 2260 1 1 1505 1 1 1658 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4270 1 1 1 1144 1474 1 1 242.1868 *242.1918* 242.1918@1.20119 1 1 1 1 1 1 1 1 1 1 6655 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1716 1 1 1 1305 1 1 1 1 1 1171 1 1 1256 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1918 *242.1957* 242.1957@1.195134 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1095 1 1 1 6487 1 1 1 1 1 1 1 1 1938 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 1 242.1957 *242.1967* 242.1967@1.3995719 1 1 1999 2018 1 1 1417 1 1022 1 3047 2901 1 1 1040 1 1 1 1878 1694 1 1 1105 1 1 1465 2691 2756 1 1 1 1 1622 1 1344 1637 2724 2185 1255 1130 1436 1044 1725 1 7100 7778 1 1 1 1 1 1 1 1 1738 2234 1 1 1 1293 1 1 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.1967 *242.2117* C12 H26 N4 O 13242 13398 14326 13886 12150 12985 14530 13988 13306 13731 14669 15324 14081 13887 14368 15662 15160 14876 15787 15808 11829 16647 4000 13798 14248 14076 14911 13464 14998 13027 14902 2585 16142 16426 15835 4108 13435 18450 16805 5273 16566 16158 16075 16533 12160 2157 13856 13428 12732 10554 12200 11729 12978 13448 10765 13012 13321 12605 13769 14312 7946 7362 1859 11129 7009 7230 7384 8329 7928 7287 7215 8010 7370 6570 7107 6568 7038 8050 7570 6293 7378 6956 7648 5304 7122 7597 7382 7465 6201 8307 242.2117 *242.2118* 242.2118@4.060673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12152 1 1 1 1 2526 1 1605 1 13060 1 1 1 11750 1 1 1 13301 1 1 1 1 1 9509 1 1 1 2217 1 1 1 1 1402 1 1 1 1 1 1 1 7035 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 1 1 1 1 2319 1 242.2118 *242.2754* 242.2754@3.9016354 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 242.2754 *242.2769* 242.2769@4.0260434 5382 1 1 3471 2759 1863 1 1 2807 1401 2027 1 1 4204 3019 2419 1 3775 1 4012 1059 1 4402 1 1383 3406 1103 1107 1556 1 5879 6116 1577 1 1058 2620 4907 1396 1 1478 2222 1 3258 1237 1687 1299 2158 1 1 1471 2330 7112 2175 3776 4938 1 1 4538 1 4874 1 1 1 2558 1 3127 1 1 4138 1 1926 3802 1 1 1781 1 2206 3884 1 1 5326 4436 3463 1 1 2621 1 1 1 1 242.2769 *242.2792* 242.2792@3.851768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.2792 *242.2797* 242.2797@3.957523 1 1 1 1 1214 1 1 1 1 1 1 1 1 5915 1 1 1 1 1 1014 1 1 2863 1 1 1 1 1 1 1 1260 1 1954 1 1 1 1146 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1208 1112 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 1 242.2797 *242.28* 242.28@2.743558 1045 1 1 1 1 1448 1 1072 1 1 1236 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 1244 1 1 1699 1 1 1 1 1082 2136 1 1 1 2403 1 1 2083 1 1 1 1 1 1 2085 1 4244 1176 1 1 1 2735 1211 1 1 1 1 1 2015 2222 1 2635 1718 1573 1 1 1 1 1 1 242.28 *242.28* 242.28@3.3732135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4221 6793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 242.28 *242.2809* 242.2809@2.779251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1614 1 1 1550 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 242.2809 *243.0579* 243.0579@2.0180428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4738 1 1 1 1 1 1250 1 1 1 1 1 1 1 1 1 1 1 1 1 3147 3518 1 1 1 1 1 1 5761 1 243.0579 *243.0595* 243.0595@2.0328708 1839 1448 1 1 1 1266 1 1804 1 1 1726 1 1 1 1 1 1 1959 1002 1 1717 1 1984 1863 1 1 1 1 1 1 1 1987 1 1 1802 1954 1605 1828 2232 1 2328 2079 1817 1 1 1665 2195 2141 1 1 2880 2311 2938 4274 1299 2026 2380 1 4593 2674 1126 3445 3790 5461 2815 3328 1176 3148 1 1 4804 4423 1741 2054 1 3168 4778 5424 1 1 1173 1052 3284 4496 4908 5621 2689 2562 1351 7391 243.0595 *243.0718* C14 H13 N O S + 3.311587 6620 5288 8667 9277 19148 19823 9299 20637 9111 9212 15200 15320 6591 4684 5079 1 9018 9392 15358 10372 20101 17666 8568 9111 5809 6186 5501 11413 1994 6066 4578 1 8505 6747 8740 4111 15257 5821 11465 13909 7279 1 15398 1 1 4692 11386 12170 3764 8864 15255 16453 9989 11783 6677 1 12718 12509 7912 7848 21542 16003 10078 9266 18276 26620 2050 5759 4716 5246 35735 36048 1671 7780 9811 3405 24071 24446 29408 25914 1 1 16710 16742 35767 26118 1 22570 9450 39626 243.0718 *243.0721* C14 H13 N O S 2954 4494 4214 1 1 1 1722 1 4810 5577 1 1 2566 4411 3472 3701 4479 4249 1 4966 1 1 5082 1630 3619 5072 9533 2672 1 3632 7939 13373 6667 5913 5926 5902 1 2544 1 1 4888 1 1 1 1 4058 4753 5436 3168 1 6961 1890 8536 6945 5403 1 1 1 3982 5035 1 7757 6674 4939 6781 1 5093 1 6795 1 14855 17525 5026 4057 1 5168 11464 8641 8489 7165 1 1 1 2083 1 1417 1 1 25876 1 243.0721 *243.0722* 243.0722@3.3633065 1 1 1 1 1 1 8538 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 5281 1 6032 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 1 1 1 5028 1 1 1 1 1 1 1 1 1 1 7328 1 3620 1 1 1 6435 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 243.0722 *243.0733* 243.0733@1.4328105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0733 *243.0738* 243.0738@3.1631896 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 1 1 1 1281 1 1 1 1 1 1 1 1 2149 1 1 2074 5771 1 1 1 1 1 1 243.0738 *243.0763* 243.0763@1.4331353 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 2517 1 1 1 1 1 1 1 1 1 1 2088 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 1 243.0763 *243.0798* 243.0798@1.9609804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3453 3538 1 1 1 1 1 1 1 1 1 1 243.0798 *243.0855* Cytarabine 6948 7100 2878 6295 6990 6910 8214 8280 8204 8065 7438 8071 7794 8094 9957 11490 7334 7288 7425 7830 1 1 7766 7601 6094 5939 10509 9824 6031 6708 10626 9905 8297 8408 8032 8123 11856 11129 1 1 9236 11131 9162 9084 8301 8160 6919 3590 7301 7674 14162 14810 8838 10212 6674 7376 7903 4015 5599 6032 11319 5082 8403 7893 10628 10739 11914 13962 8106 8842 15624 17295 8280 7707 4456 8689 14587 12858 44609 53219 10610 10663 10661 11110 16916 14810 12298 12806 10141 10517 C02961 243.0855 *243.0857* 243.0857@2.7646863 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1882 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.0857 *243.1019* 243.1019@1.4721426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3363 2138 1 1 1 1 1 1 1 1 1 1 243.1019 *243.1088* 243.1088@2.0659428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12234 7202 1 1 1 1 1 1 1 1 1 1 243.1088 *243.1106* 243.1106@2.433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6503 1 1 1 1 1 1 1 1 1 1 243.1106 *243.1109* 243.1109@2.312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10572 1 1 1 1 1 1 1 1 1 1 243.1109 *243.1114* 243.1114@2.208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 1 1 1 1 1 1 1 1 1 1 243.1114 *243.1117* 243.1117@2.122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 243.1117 *243.121* 243.121@3.7994797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.121 *243.1471* Tuberonic acid 5371 4775 4933 5141 9822 10409 12831 12122 6971 6945 11169 10499 6953 5846 5639 5261 6096 5823 6819 8144 5900 5821 6323 5876 5703 5595 9385 10206 4976 5696 6445 7027 6086 6767 4833 5265 7036 7984 5967 6408 6507 5518 8531 8096 6719 6508 8050 8245 5643 5627 3877 3659 6641 5932 7681 7732 5741 6541 5817 6066 9538 10324 4521 4679 6841 7063 7064 6862 6441 5903 6196 6791 8685 8773 6240 5691 10083 9097 4737 4754 4801 5067 7974 7518 8162 7742 11975 13203 5116 5630 243.1471 *243.1832* C13 H25 N O3 + 1.3229928 7103 4311 14469 14343 6550 4252 10316 10999 6727 10435 26088 24206 5832 10694 1 8893 3924 7678 13645 13361 7320 9867 12632 7323 6282 9171 22269 20147 4930 7885 10188 7504 9725 10539 12545 11012 22657 21137 5216 4153 13904 14403 10680 8797 41539 39569 6912 1 4385 4545 6598 7839 7215 1 14485 12310 4532 8365 8897 6580 8590 8426 9976 1 11546 11618 10633 10175 8538 9372 9658 5661 11376 11056 5402 7071 1 9761 11224 11064 13709 12453 19564 17515 3460 4664 12211 13513 7689 7035 243.1832 *243.1835* C13 H25 N O3 21087 23100 23359 22454 24380 23270 23523 24489 24439 24349 24585 24798 23501 25136 24156 23575 24879 23513 23650 25609 22968 21652 26711 25270 22811 20727 21066 23944 23848 23309 24935 24802 22044 21647 27010 27247 23735 24652 25850 26793 23167 24167 24967 25371 24560 25209 22519 23251 22737 23431 25023 26734 24976 24645 23549 25660 21539 22382 23842 24853 20893 18767 23194 22707 20990 20656 23145 21966 22239 22905 22064 22554 23331 22593 21607 21961 20500 21138 22981 23331 23763 22946 27051 27596 21569 22002 24916 24652 23549 24045 243.1835 *243.1842* C13 H25 N O3 + 1.2067606 61135 60087 97064 60308 62935 61410 68798 67240 74221 76224 136636 142263 73321 74909 66540 69033 69623 37599 91720 90202 59252 61889 77956 80297 71054 71171 120310 126502 70227 72294 60619 58408 70375 70335 87422 88806 123854 127133 76009 79923 90662 90224 80505 83008 185617 184641 60170 62911 59501 57731 70243 69599 54769 56929 96034 97386 54427 58513 73180 74677 58429 58878 81883 82016 79829 80968 70653 67507 52421 53266 65893 68874 76935 73403 61880 60878 62338 64363 84566 74855 80498 79430 96383 94915 62899 59946 81074 83926 32148 61670 243.1842 *243.1842* 243.1842@1.3199322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1842 *243.1858* 243.1858@3.9219456 1746 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.1858 *243.2508* 243.2508@3.947665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4550 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 243.2508 *243.2567* 9-pentadecen-1-ol 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1 1494 1051 1 1 1365 1 5182 1 1 1 1 1560 1158 1 1815 1153 2120 2360 2958 1388 1323 1 1 2770 2817 2174 2224 1577 2329 1035 1 1818 1 2041 1281 3139 3252 2528 2160 2090 2194 1 1 2107 2296 2480 2387 2037 2317 2076 2140 1687 1 1856 1909 2289 2243 1798 1750 1 1391 1902 1944 2151 2252 1840 1922 1 2190 1 1 1 1 1656 1 243.2567 *244.0671* Uridine + 3.6324756 8317 7177 7666 6521 6633 6350 37140 3756 4325 3789 17074 15498 25016 24985 15640 15264 2352 21456 35752 34150 5968 5952 26631 24975 20908 20045 38776 38397 1140 20973 1 1 3786 19861 9744 9608 15051 15774 16992 4069 40808 39257 7091 5539 21299 21891 11336 11276 1 1 9694 9991 1 1 2913 3287 20479 20583 3957 3327 7531 7075 26009 6961 3347 3509 18949 18010 9191 8965 14007 12431 10343 10499 2101 2266 15059 13888 19253 16613 20085 20186 21702 22139 17335 15514 14154 12523 6491 6693 HMDB00296 C00299 244.0671 *244.0676* C13 H12 N2 O S 1 1 1 1 1 1 4358 1 1 1 1 1 3314 3087 2164 1897 1 2974 5174 1951 1 1 4119 3872 1973 2560 7263 6557 1 1512 1 1 1 3855 1 1 1 2353 3335 1 2216 9228 1 1 4380 4474 1623 2065 1 1 1558 1 1 2181 1 1 3829 4162 1 1 1 1029 6396 1 1 1 5424 4961 1792 1 2968 2919 2125 2155 1 1 1 4034 5263 1 4998 4422 6081 1 3514 3866 2640 3826 1420 1410 244.0676 *244.0687* 244.0687@4.8235846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3637 1 1 1 1 1 1 1 1 1 1 244.0687 *244.069* 244.069@4.968561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 2617 1 1 1 1 1 1 1 1 1 1 244.069 *244.0694* 244.0694@3.5436187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 3518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0694 *244.0698* Uridine 206275 198960 279224 283335 181252 187994 223541 228472 229850 228877 356332 363201 179597 185388 255902 254620 257003 250983 303024 302334 350975 341434 194026 198642 167969 169140 339741 343623 152709 156149 479912 473714 379621 346252 299633 299518 333268 332692 288015 294233 267560 270304 268903 264971 244581 241198 279338 280874 348750 355547 313485 307831 306241 301793 195656 195832 293874 286154 195922 191783 422229 410192 395516 386261 384705 384166 728283 734733 398673 396011 584603 586754 227981 217168 384624 384725 341737 342427 325487 326916 365639 358551 308713 310897 542275 548660 463907 464771 323318 323471 HMDB00296 C00299 244.0698 *244.0702* 244.0702@2.3922899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 14426 1 1 1 1 1 1653 1 1 1 1 1 244.0702 *244.0712* 244.0712@2.3913713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 2391 1 1 1 1 7723 1 1 1 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 2593 2749 3203 1 2455 1 1125 3053 1 1 1 1 244.0712 *244.0731* 3,3,45-Tetrahydroxystilbene 1 1 1 6324 4462 5161 6498 5687 8511 8574 6544 7223 7177 7981 7314 9670 1 1 6981 6907 6156 24684 7378 6960 7392 5751 1 1 6524 6030 8655 9834 1 1 7101 7188 7701 7163 8604 6987 10571 10350 57949 54434 10013 9577 8156 9665 7841 7511 11259 60046 8353 9527 8175 8644 11385 11514 1 1 8642 8411 9883 8714 8097 7314 11451 47169 9664 9332 7896 8563 11494 70667 10531 10995 8380 8498 31429 31341 6168 7621 8774 8783 85376 85175 68269 70314 8479 8737 HMDB04215 244.0731 *244.0743* 244.0743@1.9594817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10084 1 1 1 1 1 1 1 1 1 1 244.0743 *244.0786* 244.0786@1.6284692 5478 6747 6174 1 1 1 1 1 1 1 1 1 1 1 2454 1 7343 7560 1 1 1 1 1 1 1 1 11897 8417 1 1 1 1 8776 8368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0786 *244.0806* 244.0806@1.2122844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0806 *244.0826* 244.0826@3.554672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1410 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 1 244.0826 *244.0839* 244.0839@1.6197767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8413 8090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0839 *244.0855* 244.0855@3.565049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 244.0855 *244.0869* 244.0869@1.5954387 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.0869 *244.09* 244.09@1.9988017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 10151 1 1 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.09 *244.0906* 244.0906@1.8349833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11689 1 1 1 1 1 1 1 1 1674 2599 1 1 1 1 1 1 1 1 1 1 244.0906 *244.0938* 244.0938@1.329875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2824 2217 244.0938 *244.1201* 244.1201@1.3186797 1 1 1 1 2875 2555 1 1 1 1 1 1 1098 1380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1683 1 1 1 1 1 1 1 1 1 1 1545 1475 1 1 1 1 1 1 1106 1 1872 3782 1216 1134 1155 1513 1216 2842 1 1 1710 1863 1 1 1 1 244.1201 *244.122* 244.122@1.2843697 1 1 1 1 2712 2139 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4737 1582 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 244.122 *244.1284* 244.1284@1.2793316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10083 9348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1284 *244.1472* 244.1472@7.5345206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3349 1 1 1 1 1 1 1 1 1 1 244.1472 *244.1563* 244.1563@7.5269966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 2316 1 1 244.1563 *244.1623* 244.1623@6.6287403 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1623 *244.1687* 244.1687@6.638801 1 1 1 1 1 1 1 1 1 1 1 1 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 2067 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 1 244.1687 *244.1711* 244.1711@1.160472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 244.1711 *244.1748* 244.1748@1.1552073 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 1051 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 244.1748 *244.1834* 244.1834@1.1583877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 244.1834 *244.2003* 244.2003@2.1634264 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 244.2003 *244.2016* 244.2016@2.1824546 1 1 2255 1 1 1 1 1 1 1 4225 3210 1 1 3223 1 1 1479 1566 3068 3750 1 1 1 1028 1 1 1 1 1 1 6890 2213 1501 1 3077 1228 1503 1 1 1 1 1 1 1 1 1 1 1 2370 1 1 1 1 1 1 1 1 1 1 1 4195 1 1 2340 1 1 5936 4496 5434 1 4606 1 1 2593 1 1 1 1 1 2701 1 1 1561 6075 1 1 3707 2019 1 244.2016 *244.2544* 244.2544@2.1776495 1 1 1 1 1 1 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 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1640 1 1 1 1 1 1 1 1 1 1 1326 1 1 1 1 1 4305 2725 1643 1 2592 3235 1 1 1 1 1 1 1 1 1 1 1 1 1923 2072 2001 1093 1 1 244.2544 *245.0553* 245.0553@2.823199 1 1 1 1 1 1 1 1652 1 1 1 1 1 1 1 1 1 1 1 1383 1 1 1 1 1672 1 1 1 2010 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0553 *245.0723* 245.0723@1.2506095 1 1 55190 56837 1 1 1 1 2381 2204 1 1 2719 3337 1 1 11313 10169 1 1 9012 9877 1 1 2487 2334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 2710 1 1 1 1 5640 5494 1 1 1 1 9831 9476 1 1 21071 22589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7980 7477 1 1 1 1 23591 26955 1 1 1 1 1 1 6864 6488 245.0723 *245.0729* 245.0729@1.381217 1 1 7765 7186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2221 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3508 3678 1 1 1 1 1 1 1 1 245.0729 *245.0756* 245.0756@2.2638958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 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 1 245.0756 *245.0784* 245.0784@1.2440885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.0784 *245.0821* 245.0821@3.654 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 245.0821 *245.1099* 245.1099@2.543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 1 1 1 1 1 1 1 1 1 1 245.1099 *245.1252* 245.1252@2.1309228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2108 1 1 1 1 1 1 1 1 1 1 245.1252 *245.1436* 245.1436@1.0931044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1436 *245.1484* 245.1484@1.1076897 1 1 1989 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1771 1608 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1484 *245.1593* 245.1593@1.4609162 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1593 *245.1621* Pinacidil + 1.399643 2129 6165 4743 4675 6216 5889 2292 5653 2268 2876 4950 4932 6433 6249 1974 3895 4039 4192 5421 5417 2858 4703 10021 10057 6332 4490 6285 6580 5671 5672 11168 11850 5235 3307 4280 4537 4082 4452 3671 3487 5698 5384 2922 2265 5076 4413 4718 5107 5781 6141 6040 5796 11088 3782 4660 4354 4702 6159 3734 2502 5073 4747 1654 1 1482 1 1 1 2499 4038 1 1 1 1 4471 4080 3460 2091 3436 1 1 2087 1363 1 3486 3448 1 1969 1990 1216 245.1621 *245.1629* Pinacidil 17518 17154 26005 25820 27013 26410 39176 38628 39034 39491 42691 40782 18682 16799 24700 24519 22105 21503 29023 28373 15068 14891 23183 24837 18459 18280 22865 23174 16969 16951 22560 22924 29788 30803 8870 9174 22531 22989 11715 11608 17277 17608 31632 32477 21266 20816 31983 32112 23440 22873 14860 14592 29044 27153 32637 33535 15174 14371 17884 16978 34349 34346 19032 19757 21096 21369 26332 26731 19048 21155 17223 17391 30101 29360 19492 18596 21177 20121 32555 32308 16070 16521 30865 30063 17376 17650 51173 50534 13729 14208 245.1629 *245.1635* 245.1635@1.4071105 2809 1 1 1 1 1 2985 1 1 3709 1 1 1 1 3810 2387 1 1 1 1 1 1 1 1 1 1 2695 1 1 1 1 1 3286 4136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8750 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1635 *245.1638* 245.1638@4.3109717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1875 1201 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1638 *245.1642* 245.1642@6.5834126 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1642 *245.1704* 245.1704@1.210932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1704 *245.1771* 245.1771@1.2053655 1 1 1 1 1 1 3647 1 1 1 1 1 1 1 1 1 1 1 12534 1152 1 1 1 1 1 1 1 1 1 1 1 8628 1 1 1111 1 1 1 1 2481 1614 1 1 1 1 1 1 1 1 1 1 1 1027 1 1 1 1 3110 1 1 1 1 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 1 245.1771 *245.1775* 245.1775@4.305945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40140 40264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1775 *245.1781* 245.1781@4.453448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17722 17505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1781 *245.1804* 245.1804@1.2022521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.1804 *245.2098* 245.2098@1.0664858 1 1 1 1 1 1 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 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 245.2098 *246.053* ISOPIMPINELLIN 4113 3167 3879 3706 3999 5818 7096 6505 4555 3862 5277 4675 5160 4988 3717 3949 6191 5988 6378 5596 4571 4387 4433 3864 6945 6931 6131 6274 8183 8247 3687 4913 1 2268 5080 5081 4659 4925 2507 2375 3555 3270 5472 5118 5296 5539 2164 6428 4335 4085 1 1 1 1 1347 1342 2600 2184 2763 2786 1 1 1966 1850 1 1 1 1 4134 3693 1 1 4138 4628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 246.053 *246.0537* 246.0537@2.8547091 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0537 *246.0768* 246.0768@2.210976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0768 *246.0787* 246.0787@2.1154654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5070 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 2571 1 1 1 1 1 1 1 1 1 1 246.0787 *246.0858* 246.0858@1.7561113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7842 1 1 1 1 1 1 1 1 1 1 1 1 8849 1 1 1 1 1 1 1 1 12590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0858 *246.0863* 246.0863@2.0716484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 246.0863 *246.0866* 5,6-Dihydrouridine 3209 5342 5144 8592 4344 5033 6320 4291 6747 6690 5531 11727 4049 3299 6825 4326 7265 7359 6038 6208 10221 7088 6004 5153 3061 3979 5634 8745 3106 2910 9937 2279 16385 8666 5431 9785 12913 6996 8996 9691 8020 4829 4309 3775 7376 7099 5022 10511 3041 8573 8385 7195 8735 6124 5143 5745 9433 5017 4445 4588 10836 2076 14540 6545 10919 10754 22293 21760 5727 7127 1857 15363 6752 6374 5473 9124 6043 6166 1 9093 8382 7219 1 8047 13436 12920 14077 14868 9474 8292 HMDB00497 246.0866 *246.0904* 246.0904@1.9847593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1404 1098 1 1 1 1 1 1 1 1 1 1 246.0904 *246.0905* 246.0905@1.8058907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.0905 *246.0952* 246.0952@1.8380471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 246.0952 *246.1014* 246.1014@1.86 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 246.1014 *246.1082* 246.1082@1.647173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 246.1082 *246.1117* 246.1117@2.158748 1 1 1148 1 1 1 1 1 1530 1 1260 1 1 1 1 1 1 1 1 1 1 1 1471 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 1068 1 1 1 1 1 1 1 7656 9244 1 1427 1 1 1 1 1 1000 1 1 246.1117 *246.1207* 246.1207@2.1505084 1468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2132 1222 1393 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.1207 *246.1249* 246.1249@2.1444547 1 1 1 1115 1980 1 1 1 1 1 1 1 2098 1 1 1 6130 3606 1 1 1 1 1 1 1 1482 1361 1 2778 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1130 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11712 9096 1 1 1 1 1 1 1225 1 1 1 246.1249 *246.1359* 246.1359@1.2184327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1158 1 1 1 1 1 1 1 1 1 246.1359 *246.1367* 246.1367@1.2126507 1 1 1 1 2128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1361 1 1 1 1 1 1 1 1 1 1 246.1367 *246.1373* C14 H18 N2 O2 29697 30299 15056 15401 8019 8327 58159 58700 20327 21879 14220 13262 24931 23254 167164 168952 52843 52213 217779 220555 43859 44715 42505 40981 14117 12031 34512 33807 41559 42377 5102 5170 49042 48908 1 1 82031 84857 7984 8304 65705 65612 38463 39067 1 1 46942 47791 11092 12097 16737 17569 46291 45805 30604 27897 1725 1633 41973 42723 7583 13187 26220 27885 16078 29720 43703 44168 15495 7896 22755 21689 18320 18190 18502 16057 33076 18959 17430 18067 21083 19579 4174 2260 13461 13175 86611 88786 4624 4048 246.1373 *246.1482* 246.1482@1.136379 1 1 1 1 1 4682 1 1 1 1 1 1 1 1 1 1 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2359 1 1 1 1 1907 1 1 1414 33396 1828 1 1 1 1 1 1 2612 1 1 1 1 2958 1 1 1 1 1009 1 8144 1 1 1 1 1 3522 1 1 1 6227 1183 1 1 1 1 1 1530 1 1 1 1 1 246.1482 *246.1502* 246.1502@1.1317317 1 1 1 1 1318 1 1 1 1 1 1 1 1 1648 1381 1004 1 1 2372 1 1 2069 1 1 1 1 1 1 4068 3240 1 1 1673 4235 1 1 1 1 1 1 4004 1 1 1 1118 1 1 1 1 1766 1 1 1 1 1 1 3615 4175 1116 2294 1 2906 2622 1274 2939 2398 1409 1 1 1 1792 2529 2961 1 1 1 1983 1 1 1743 1 1 1 1 1 1 1 1 1 1 246.1502 *246.1591* 246.1591@6.2389717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 11542 1 1 1 1 1 1 1 1 1 1 8453 1 1 1 1 3208 1 1 1 1 1 1 1 1 246.1591 *246.1592* 246.1592@6.218509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12155 1 1172 5761 1 1 6777 1 1 7316 1 3967 1 1658 1 1 1 1700 1708 1 1 1342 5445 2369 1 1167 1 246.1592 *246.1593* 246.1593@5.700678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6986 5795 1 5822 4653 10202 12734 4979 3570 5098 3582 3683 4699 1 1490 2175 7926 1 5711 4727 1 10813 3189 3015 3819 1 4436 3110 3603 1945 246.1593 *246.1597* 246.1597@5.828754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11687 16828 13828 9308 1 2977 2937 10829 7218 8666 11519 9809 2128 14846 4527 12834 1600 12170 9171 8294 10427 1032 7493 8162 7139 10403 8599 7385 6514 4926 246.1597 *246.1598* 246.1598@5.5901413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7856 2701 7130 8394 6863 6968 8214 7405 4841 7267 6167 6881 6007 8051 4409 3684 7068 8265 7674 6156 4708 5122 6188 1207 6035 5459 1495 5884 4829 3460 246.1598 *246.1598* 246.1598@5.9265466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4282 1 6026 2498 1 1 1 1 8637 2531 1 1 1 1 1 1 1767 3148 1789 1 3590 3877 1260 7534 246.1598 *246.1607* 246.1607@1.1575633 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.1607 *246.1668* 246.1668@1.1661217 1 1 1 1 1 1 1 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 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.1668 *246.1827* 246.1827@1.1394371 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 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 1 1 1 1 1 1 1 1 1 1 1 246.1827 *246.1876* 246.1876@1.1553271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 2008 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 1086 1294 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 2283 3221 1 1305 1 1 1 1 1 1 246.1876 *246.2062* 246.2062@1.1367513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 246.2062 *246.2135* 246.2135@1.1051235 1 1 2244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5477 5220 1 1 1 1 1 1 4605 1 1 3864 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 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 1 1 1 246.2135 *246.2192* C14 H30 O3 4692 4540 1 3746 5240 5233 16690 17738 13164 15356 4136 3783 5577 6474 5322 5213 3868 3954 4440 4284 24546 24566 1 1 4216 4925 2505 4669 5721 5770 1 1721 4211 1 1 3719 23711 24604 4107 3686 4586 4152 4108 5618 4522 3578 3529 2742 3052 3001 50442 51513 43757 42790 1 4430 5379 5265 1 4299 3439 3526 3885 3570 6797 5391 11183 11974 21661 21124 2199 2578 5064 4971 1807 1749 2807 2508 17664 16660 23438 22879 38849 39008 3605 3374 22313 20414 23493 24256 246.2192 *246.2708* 246.2708@5.4038424 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 246.2708 *247.0112* C11 H5 N O6 4817 4548 5155 4392 4426 4663 4554 4216 4980 5567 4379 4459 4606 4076 4690 4233 4633 4836 4784 5514 4694 4734 4440 4597 4444 3791 4627 4607 3812 3860 4767 4548 4936 4939 4654 4434 4053 4415 4804 4939 4883 5005 4338 3927 4744 4592 4381 3952 3858 3798 5117 4705 4433 4410 4396 4365 4563 5335 4636 4184 6444 5548 5338 5096 6023 6007 5603 5778 5733 5210 6411 6625 5220 5721 5485 5402 6296 6004 6578 6626 6094 5709 6277 5873 6702 7259 5949 6262 5148 5139 247.0112 *247.0149* 247.0149@0.7725818 1 1 1 1 1 1 3852 3964 1 1 1 1 1061 1 1 1 4609 5200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7004 6924 1 1 1 1 1 1 1 1 1908 1868 1 1 1 1 1 1 1 1 1 1 6292 6607 247.0149 *247.0178* 247.0178@1.9756775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1053 1773 1 1 1 1 1 1 1 1 1 1054 1 1623 1 1 1 1 1072 1 247.0178 *247.0262* 247.0262@1.7331567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0262 *247.0522* 247.0522@3.4975433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0522 *247.0549* 247.0549@3.0902305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0549 *247.0587* 247.0587@3.4018655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1 1 1 1 1 2150 1 1 1 1 1 1167 1 1 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 2354 1 3600 1 1 2439 1 1 1 1 1 1 1 1 1 1 247.0587 *247.0874* 247.0874@2.1684453 1 1 3796 1 2347 4385 1 1 1 1 4309 1 1 1 1 1 1 1 4619 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 4751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.0874 *247.1047* 247.1047@1.7687179 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1047 *247.1061* 247.1061@2.9401307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9528 9091 1 1 1 1 1 1 1 1 1 1 247.1061 *247.1093* 247.1093@1.7860458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1093 *247.111* 247.111@2.1429143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1778 1 1 1 1 1 1 1 1 1 1 247.111 *247.1175* 247.1175@1.2092127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1175 *247.1236* 247.1236@1.1974754 1 1 1 1 2409 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 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1258 1 1 1879 1346 2006 1 1 1 1 1 1 1 1 1 1 1 1 247.1236 *247.1392* 247.1392@1.200102 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 1 1 1 1 1200 1 1 1 1 1 1 1776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1392 *247.142* 247.142@7.471055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1476 1 1 247.142 *247.1517* 247.1517@1.0837141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1517 *248.0123* 248.0123@1.993828 1 1 1 1 1 1 1 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 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 248.0123 *248.0129* C15 H4 O4 4969 4870 4333 4028 5102 4679 5028 4791 4876 4637 3910 3900 2650 3050 3339 3012 3001 3117 3053 2442 3641 3851 3267 3488 4063 4264 3025 3395 1602 2303 4562 2426 4451 3982 4842 4939 5618 5649 5194 5198 5250 5413 4103 4550 3876 3612 5687 5491 2267 2350 3830 3548 5548 5668 4102 3848 4613 3706 5121 5740 7486 7056 6567 6400 6009 6331 4084 3906 3934 4447 7417 7600 5190 4889 5852 5127 6359 6107 4274 4333 3181 5390 5162 5379 6424 6849 4181 3792 6406 6867 248.0129 *248.016* 248.016@2.3772538 1 1215 1 1 5249 2203 1 1 4250 1 1 2123 3686 1 1260 1 1997 1172 1 1 1 1 1 1 3099 4305 2545 2665 1 1 1 3884 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1545 1 1 1058 1 1901 1 1 1 1 2806 1873 1 1 3254 1 1 2621 1 1462 1 3052 1444 1 1 1374 1553 1647 1 1 6038 1 1 1 1 1 1 2566 3295 3952 248.016 *248.0164* 248.0164@2.4023037 1 1 1 1 1 1272 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 1072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 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 1169 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 248.0164 *248.0166* C8 H8 O9 1 5532 6752 6340 2759 4093 9950 9566 3234 7313 5950 1968 2638 5773 2365 4395 4632 5617 3949 2842 8306 8171 5019 6698 4865 2919 4019 5408 3357 5085 5720 2528 4566 1438 5396 6210 1342 3804 5137 5018 4554 6259 5575 1 1184 2117 6575 5042 2960 5764 2657 7023 4974 3528 5856 1657 2073 1 4716 5310 2463 4870 1 1513 3547 1952 6733 3348 4872 1239 6242 3389 6448 1 1 2456 4216 5665 9835 10075 1126 7953 8537 8225 2636 5843 4762 5448 1731 3162 248.0166 *248.0439* 248.0439@1.4134485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2114 1 1 1 1 1 1 1 1 1 1 1 1 248.0439 *248.0556* 248.0556@5.521261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1569 1 1 1 1 1015 1 1321 1019 1 1 1 1 1 1 1 1 1 1 1 1 1356 1686 1 1 248.0556 *248.1037* 248.1037@4.229151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 2446 2294 1 1 1 1 1 2967 1980 1472 1 1 248.1037 *248.1072* 248.1072@4.210384 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 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 3356 1 1 1 1 1 1 1 1 248.1072 *248.114* 248.114@4.2196493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.114 *248.1213* 248.1213@4.185951 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1213 *248.1368* 248.1368@4.166153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1368 *248.1421* 248.1421@4.2566385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1421 *248.1455* 248.1455@1.4154123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1455 *248.1459* 248.1459@1.4740733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 248.1459 *248.1471* 248.1471@4.24117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 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 1 1 1 248.1471 *248.1482* 248.1482@2.015622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2775 2453 1 1 1 1 1 1 1 1 1727 1 1 1 248.1482 *248.149* 248.149@10.618144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.149 *248.1491* 248.1491@0.6408604 1 1 1 1 1 1 1 1 2642 1 1 1 1 1 3967 1 1 1 1291 1 1 1 1 1247 2581 1 1 1 1 1749 1 1 1 1858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2651 1 1 1 1 4481 1 1 1 1 1 1 1141 1 1 1 1 1 1 1264 3278 2990 1 1 1 1 3119 1638 1 1 1 1 1642 2853 1 1 1 2517 1 2739 248.1491 *248.1492* 248.1492@0.732446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1 1 1517 1 1 1 1 4944 1308 1 1 1 1 1 1 1 1 1 1 1 1 248.1492 *248.1492* 248.1492@6.945594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 248.1492 *248.1493* 248.1493@1.7949454 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 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 1578 1 1420 1 1999 1 1 1 1 1 1 1 1 1 1 1 1 2433 1 1 1 1275 1817 1 1 1 1 1 2218 1382 1 1 1787 1 1 1191 248.1493 *248.1494* 248.1494@3.048809 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 2902 1 3278 1 1 1 1 1 1477 1 1 1 1 1 1 1 1 2661 1 1 1 1 1 1 1 1807 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 1530 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 1 248.1494 *248.1494* 248.1494@2.4104521 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1827 1 1 1 248.1494 *248.1496* 248.1496@3.7268379 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1496 *248.1497* 248.1497@0.7938316 1 1 1362 1 2593 1 1 1 1503 1 1 1 1 1 1 1 1 1 1044 4731 1592 1 1 1418 1 1 1 1 1 1213 1 1 2343 2128 1 1389 2225 1 1 4252 1 1 1 5185 3436 1 1 1 1 1 1 1 2096 1 1 1 1 1 1713 1 1193 2051 2634 1 1 1 1 1 1 1 1143 2833 1 1 1210 1 4458 1386 1 1 1 1 1275 3036 1 1 1 1 1 1 248.1497 *248.1497* 248.1497@1.457076 1 1 1 1 1 1643 1 1178 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 2390 1 1 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1135 1 1 1 1 1 2588 1 1834 1 1 1358 1 1 1163 1 1 1 1 1 1 248.1497 *248.1499* 248.1499@1.1689284 3831 1 1 1 1 2184 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1615 1 1 1 1327 1 1 1 1 1 2534 1 2841 2768 1406 1 1 1 3428 1 1 1 1829 1 1 1420 1527 1 1 1 1 2596 1 1204 1 1 1 1490 3815 1 1841 1 2065 1 1 1969 1849 3015 2506 1 1 1307 1926 1 1 1818 1 2006 1 1 1 1 1 3314 1 1825 1 248.1499 *248.15* 248.15@1.5080472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1591 248.15 *248.1502* 248.1502@2.8950305 1 1 1 1 1 1 1 1 1 1 4000 1 1 1 4080 2178 3284 1788 1 1 1 1 2676 1 1046 4593 3465 1 1 1 1 3048 2384 1 1 1 1 1 1 3009 1 3252 1 1 2390 1 1239 1 1 1896 1 1 1 1 1 1 1 1 2225 1 1 1 2373 3384 1 1 1530 1908 1 1 1 1905 1 1 1 1 1 1 1 1 1 1 2813 1 1 1 1 1 1 1 248.1502 *248.1506* 248.1506@2.1443887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 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 3362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1 1439 1 1 1 248.1506 *248.1517* 248.1517@2.8588939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 248.1517 *248.1546* 248.1546@1.1911347 1 1 2023 1 1 1 1 1 2592 1 1 1 1 1 1 1 1 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1776 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 1 248.1546 *248.155* C13 H25 Cl O2 2698 1 2008 1 3874 3121 1 1 2927 2609 1595 5171 1 3384 2426 2641 2472 1385 1 1 1 1 7337 1 1 1 2765 2981 1 1 1 1 2089 1 1920 2550 2788 2604 1 1 1938 1 2749 2899 3334 1 2509 1 1957 1 1 1 1 1 1725 1476 2225 3363 1004 1 1 1 1 1 7182 1 1 2409 1 1 1 1 1829 1841 2129 3586 3215 1 1550 1417 1980 1 2143 3294 1742 1 3091 2461 1887 1532 248.155 *248.163* 248.163@1.1246558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3376 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2493 1 1 1 1 1 1 248.163 *248.173* 248.173@1.1256082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2669 1 1 1 1 1 1 1 1 1 1 1 248.173 *248.1807* 248.1807@3.1326623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4000 8229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1807 *248.1808* 248.1808@1.1218503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4302 1 1 1 1 1 1 1 3748 1 1 1 1 1 1 1 1 1 1 1938 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 1634 1 1 1 1 1 1 1 1 1 1 248.1808 *248.1813* 248.1813@3.1835704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7919 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 1 248.1813 *248.1885* 248.1885@1.1231489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9674 8472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6956 5518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.1885 *248.2346* 248.2346@4.038408 1 1 1 1979 1633 1 1 1 1 1 1 1905 1 1 1350 1 1 1 1 1 1 1815 1 1763 1 1 1 1 1 1 1 2301 1 1 2244 1 1 4629 1 2583 1775 1 1 1 1 1 1597 3079 1 1 1 1 1 1 1 1776 1 1 1340 1933 1 1 1 1 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 1 248.2346 *248.2902* 248.2902@4.0423465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1712 1509 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 248.2902 *249.0637* 249.0637@3.3380926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1713 1 1 1 1 1 9202 1 1 1 1 1 2264 1884 2000 1 1 1 1 1 1 1 1 1438 1 1 1 4476 3735 4400 1 1 1 1626 1 5291 2113 1053 249.0637 *249.0637* 249.0637@3.3027375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 5894 1 1 1 1 1 1 1 2908 1 249.0637 *249.0638* 249.0638@3.128324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0638 *249.0668* 249.0668@2.9005282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0668 *249.0714* 249.0714@3.985783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1829 1 1 1 1 1 1 1 1 1 1 249.0714 *249.0887* 249.0887@1.83368 1 1 1937 1 1 1 1 1 1 1 1962 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2222 1 1703 2023 1 1 1 4277 2532 1142 1 2861 1 1 1 1 1663 2040 1 1 1 1 2872 1 1 1 1057 1778 1 1 1 1960 1213 2456 1 2271 1 1 2247 1992 2743 3000 1 1 1856 1 1 1 1 1 1 1 1 1 1967 2560 1 1251 1 1 249.0887 *249.0893* 249.0893@1.9326673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.0893 *249.0944* 249.0944@1.8441741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 249.0944 *249.1057* 249.1057@4.1327906 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1057 *249.1235* 249.1235@2.3019438 1 1 1 1 1 1 1 1 1 1 1 1 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5054 4959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1235 *249.1286* 249.1286@2.3111331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 249.1286 *249.1469* 249.1469@1.0700268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1469 *249.1593* 249.1593@1.0961292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 249.1593 *249.1638* 249.1638@1.1034045 1 1 1 1 2765 1 1890 1 1 1 2190 1889 1 2600 2071 1 1 1481 1 1 1 1496 1 1 1 2082 1 1 1 1 1 2262 2323 1 2713 1831 1948 2278 1 1895 1 1 1729 2182 1 1587 1 1 1 1 1 1592 1 1 1 1 1714 1 1296 1 1 1 1770 1 1 1 1 1 1953 1 1 1 1661 2147 1976 1 1 2004 2317 2542 1 1 1 1 1567 1 1 2121 1 1 249.1638 *249.1693* 249.1693@1.2456443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 249.1693 *249.1704* Leu Thr 14091 13055 20353 20990 21755 1 16527 15624 18234 19340 30386 32116 22048 1 17136 15454 21023 20911 2407 14835 12102 11662 17623 16579 20208 19947 23477 23973 18472 19585 18631 18507 20937 20698 34547 34617 81529 47819 19978 1 22241 21534 35933 35318 47321 49824 17362 18463 13717 14527 11932 12237 1 1 17954 19129 1 1 11900 11821 7549 1 14793 15175 1 12883 19173 1 14050 13966 13064 13764 17849 18057 1 1 15921 1 17972 12190 20049 1741 22130 19850 1 1 23290 21638 1 18282 249.1704 *249.1732* 249.1732@4.4569483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 96923 94847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1732 *249.1737* 249.1737@4.2911386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9773 10455 1 1 1 1 1 1 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 1570 1 1 1 1 1 1 1 249.1737 *249.1849* 249.1849@1.1307281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 249.1849 *249.1895* 249.1895@1.1384143 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 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 1297 1 1 1 1 1 1 1 1 1 249.1895 *249.9943* C4 H14 N2 O2 S4 1699 1529 1338 1188 1 1539 1379 1321 1508 1292 1057 1214 2023 1750 1432 1615 1105 1054 1115 1228 1256 1 1679 1610 1212 1131 1332 1854 1319 1152 1 1449 1084 1 1 1025 1495 1309 1074 1659 1170 1 1431 1353 1407 1310 1124 1376 1 1 1298 1 1460 1422 1157 1 1822 1716 1364 1212 1 1 1 1 1188 1199 1080 1231 1133 1 1 1 1493 1408 1299 1391 1 1 1 1003 1 1070 1 1 1139 1 1 1 1198 1174 249.9943 *250.0319* 250.0319@2.0691698 2522 2120 1484 1 1 1 1 1 1631 1859 1526 1765 1405 1 2377 1 1 1 1 1 1 1 1 1 1566 1 1 1256 1 1 1222 1232 1 1 1 1 1433 1 1 1312 1 1 1 1 1411 1465 1 1 1 1 1 1224 1 1189 1470 1 1434 1 1 1 1696 1351 1 1 1 1 1 1 1 1682 2306 2272 1 1 1 1 1 1 1 1 1753 1898 1 1 1371 1 1 1 1 1 250.0319 *250.0478* 250.0478@2.964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 250.0478 *250.0578* C6 H11 Cl N6 O3 1 1 1985 2029 1 1400 1813 1993 2648 2851 3607 3283 1615 1 3409 3651 1 1 1735 1872 2238 1891 1 1429 1503 1667 1 1781 1742 2084 1996 2098 2533 2132 1427 1660 2313 2856 3364 2925 3979 4163 2547 1978 1 1 2465 2176 1957 2366 1227 1589 2564 1 1 1 1 1 1230 1181 4186 4682 2227 1952 2925 2920 1160 1 2638 2843 3395 3471 3182 3462 1497 1574 1601 1791 8216 8227 3584 2861 3918 4450 3803 3986 2743 3021 1 1 250.0578 *250.0636* 250.0636@1.53335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0636 *250.0805* 250.0805@1.7740898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 250.0805 *250.1054* 250.1054@2.0687063 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1054 *250.1104* 250.1104@2.079968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1104 *250.1199* 250.1199@1.3891615 4917 8583 6807 1 4245 1 1 1 1 4421 3432 1 6175 3622 1 2989 1 1 4815 3831 1 3561 15896 8242 7276 5246 3746 3921 6100 1 6634 14621 5874 7768 1 1 1 1 1369 1 3923 1 3258 3832 1 1 2617 1 1 1 1 4082 15136 1 1 5680 1 4978 1 1 1 4281 1 1 1 1 1 1 3477 2826 2245 1 2663 1 1 1 1 1 1 1 1 1 1 1 1334 1 1 1 3590 1 250.1199 *250.1218* 250.1218@1.4268601 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1218 *250.1236* C14 H19 Cl N2 9060 5149 4298 5110 6779 3275 4054 5735 11806 6983 5027 5775 9445 12359 6517 9041 5362 8134 4799 5829 4155 6113 1 9400 4744 7899 8412 7014 5588 4790 7661 1 7879 4361 5037 9833 3036 2492 5401 4624 5408 11439 2543 2340 5422 2467 6472 4602 10081 5822 5511 4671 1 6788 6935 1373 12210 6021 6217 2513 7426 6166 5161 4175 1887 1 1636 1 6822 3869 3365 3217 4481 5520 11321 1 9464 6153 5244 5302 5746 2786 1 1424 5950 4731 2094 6909 2262 6804 250.1236 *250.1276* 250.1276@1.6055369 2366 1 2166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 1 1 2786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1276 *250.1396* 250.1396@1.137752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1652 1 1 250.1396 *250.1501* 250.1501@1.1229738 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1501 *250.1548* 250.1548@1.1114917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 250.1548 *250.16* 250.16@1.164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1 1 1 1 1 1 1 1 1 250.16 *250.162* 250.162@3.9408133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.162 *250.165* 250.165@3.5507672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.165 *250.1661* 250.1661@3.7898645 1 1 1 1 1 1 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 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 1 250.1661 *250.1681* 250.1681@3.5829475 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1681 *250.1682* 250.1682@4.4369736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24272 24435 1 1 1 1 1 1 1 1 1 1 1 1 250.1682 *250.1683* 250.1683@3.9486437 1 1 1 1 1 1 1 1 3597 4116 1 1 1 1 1 1 1 1 1 1 2720 2592 1 2017 1 1 1 1 2006 1681 187405 182443 1 1 2667 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 1 1 1 1 1 1 1 1 1 1 8137 7100 3495 3757 14715 16041 18457 18943 1 2335 6671 6899 1 1 250.1683 *250.1704* 250.1704@1.33068 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1119 1 1 1 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 1 250.1704 *250.1728* 250.1728@1.3393793 1991 1887 1 1 1 1 1243 1 1 2387 1 1 1 1 1028 1 1 1 1 1 1 2183 1 1 1 1634 2692 1 1 1599 1 1 1 1 1 1262 1 1243 1 1 1 1064 1 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 1 1 1 1058 1 1 1 1 1063 1 1 1 1 1 1 1 1815 1 1 1 8670 5398 1 1 1 1 1 1 1 1 1 1 250.1728 *250.1775* C16 H26 S 26815 27363 20515 24433 32881 26802 26858 25985 27464 27136 20874 25999 29930 29234 29759 29984 26937 27127 23220 23324 31591 28627 26054 24655 29586 30394 22390 25461 26883 27703 22311 21331 26265 31983 28444 29136 1 29035 27911 26915 24909 25629 28463 27539 29086 28310 25975 28301 23063 23954 31245 27280 29417 27711 24235 25886 28789 28805 32176 27155 23134 18126 25001 24178 29409 29157 30678 30413 24156 25259 13924 17696 26086 25038 24647 23583 19888 21580 79933 82071 22287 23011 24507 19129 21566 21755 21501 29186 22598 23346 250.1775 *250.1802* 250.1802@1.0814433 1 1 1 1 2641 1 1 1 1 1 1 2214 1899 1756 1360 1 1 1 1558 1 1 2203 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 2080 1407 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 1339 1 1 1 1 1 1 1 1 1 1 250.1802 *250.1802* 250.1802@1.0684695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2088 1 1 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 1330 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1802 *250.301* 250.301@3.8994546 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.301 *251.0266* C7 H9 N O9 12802 13275 23737 28819 27316 25865 1 65996 30188 29222 70758 7619 38058 39194 33190 33476 23566 23114 53181 54389 35117 32575 15956 15664 14505 14694 1 1 18912 19820 40474 36715 55941 52990 26530 27971 40449 40906 28363 27027 34940 33807 30757 30515 7533 6979 34319 33514 42444 42539 27926 30604 31883 29241 7335 7586 7386 7454 8706 8737 96633 93298 23874 18961 54948 51969 27177 26092 50515 49208 59832 57901 41721 42416 27124 27398 67168 73765 14480 13087 46149 44362 57574 1 93272 95351 73331 72056 23100 22410 251.0266 *251.027* 251.027@1.6040502 1 1 7429 1 1 1 1 1 1 2660 1 2123 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 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 3127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 2818 1 1 1 1 1 1 1 1 1 1 251.027 *251.1019* 251.1019@2.0855644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1 1 1853 1 1 1 1 1 1 1 2304 1 251.1019 *251.1038* Deoxyadenosine 1 1 1 1 1 1 1 1 1 1 1 1 2980 2147 1067 2520 1 1 1 1491 1735 1 2865 1061 1 1 2956 3380 3138 3210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2767 1969 1266 2365 1 1 1782 1714 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 2795 1 1 1 1 1454 1930 1 1 1487 3747 1445 2104 1 1 1731 3572 1124 3414 HMDB00101 C00559 251.1038 *251.1163* ACETYL TYROSINE ETHYL ESTER 1665 1771 1220 1 1701 1680 1 1982 1620 1 1 1374 1 1 1 1 1 1 1 1 1 1605 1267 1 1 1 2570 1313 1 1 1967 1549 1 1592 2039 1825 2289 2405 2068 2242 2051 1994 1233 1 1 1255 2009 1921 1 1 1 1 1763 1658 1 1091 1 1388 1740 1 2658 2576 1559 1906 2309 2656 1 1 1496 1269 2128 2829 2093 1661 1 1 1774 1841 1766 2248 1 1660 1575 1 1946 2822 1 1369 2671 2523 251.1163 *251.1198* 251.1198@1.9031864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2581 2898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1198 *251.1363* 251.1363@8.620095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 251.1363 *251.1368* 251.1368@8.723019 3327 1 1 1 1 1 1 1 1345 1 1508 1 1 1586 12471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1148 1 1188 1 1 1 1 1 1 1 1 1 1619 1 1 1 1173 1 1 1688 1 1 1 1 1 1 1 1 1 251.1368 *251.137* C10 H21 N O6 14796 17212 17867 16782 15952 15790 16309 16210 16868 16130 15618 16275 16664 16111 4052 16707 16750 15402 16176 16987 15827 15511 16657 16375 15011 16630 15883 16703 15320 16722 17007 15978 15789 16391 17257 15883 17647 16297 16434 15923 17012 16506 15316 17389 17291 15788 16579 17344 18211 16776 15633 17815 16648 15599 16732 14037 15201 17134 17629 15820 20868 23141 23229 20951 21243 22729 23469 20375 21975 22885 22493 20711 23008 20770 22902 21911 22651 21577 23624 24076 11260 23646 21688 22454 22693 21862 22064 20335 22845 21267 251.137 *251.1393* 251.1393@1.3682828 1 1 1 1 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 2420 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 2388 1 1 1 1 1 251.1393 *251.1406* 251.1406@1.337034 1 1 1 1 1 1 1 1 1 1 1 1223 2170 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 2766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1406 *251.1421* 251.1421@4.679099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11659 12537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16003 16527 1 1 1 1 251.1421 *251.1482* 251.1482@1.3485603 1273 1 2231 1 1 1 1416 1 1 1 1228 5067 1 1 1902 1 1 1 2086 1 1 1 2241 1 1 2107 1 7117 1 1 1 1 1 1 1 1939 4372 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 1 1 1 1 1 1 2045 1 1 2942 1 1 1 1 1 1 1 2483 1 1 1 1 1 1 1 4229 1018 1 1 1 1 1 1 1 251.1482 *251.1505* 251.1505@1.2917985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 4395 1 1 1 1 1 1 1 1 1 1056 3200 1 1 1240 1 1 1 8221 8691 1 1 1 1 1 1 1 1 1665 1351 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 9590 6289 1 1 1 1079 11825 10073 1 2683 1 1 1 1 1 1 251.1505 *251.1585* 251.1585@1.1501187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6778 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1585 *251.1677* C10 H25 N3 O2 S 5309 4910 7572 5870 1 6545 5393 5879 5281 1 11653 11201 5766 5627 5125 5376 5526 7595 1 6293 1 6209 5338 5486 10252 7026 9909 12025 5298 5358 4771 4054 5200 1 8547 7083 1 12083 5567 7827 9868 7770 6041 5010 12842 15337 3585 1 4289 4167 1 4728 2482 4123 7562 7881 1 1 1 1 1 1 7892 6205 1 5419 1 1 3649 1364 3807 3670 5235 1 1 1 6347 6362 1 1 1 1 5956 9223 4051 4448 7898 5349 6155 7129 251.1677 *251.1688* 251.1688@1.1950052 1 1 1 1 1 1 1 1 1 5458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4885 4523 1 5070 1 1 1 1 5001 1 1 1 1 3832 1 1202 1 5011 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1733 1 251.1688 *251.1723* C11 H25 N O5 2133 2132 1 1672 2285 2135 3531 2783 1 1 1 1865 1 1 1 1 1 1 1 1 1 2849 1 1 1 1 1 2643 1 1 1605 1858 2114 2567 2690 2543 2159 1896 2316 2244 2132 1789 2008 1808 1 1 1589 1 2214 2313 1 2251 1 2394 1999 2065 1840 1 1880 1334 1490 1489 1454 1795 1847 1 1228 1069 1 1 1 1 1 1528 1750 1382 1777 1472 1 1 1263 1754 1815 2101 1682 1716 1 1 1 1 251.1723 *251.1814* 251.1814@1.1516206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1954 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.1814 *251.9904* 251.9904@1.0701637 1 1120 1 1 1 1 1 1 1 1 1 1 1136 1213 1 1 1 1 1 1 1 1 1 1104 1 1 1325 1187 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 251.9904 *252.0318* 252.0318@1.5033773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 252.0318 *252.0323* 252.0323@1.5332948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 252.0323 *252.0583* 252.0583@2.199134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0583 *252.0587* 252.0587@5.841539 1 1 1040 1 1115 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 1 1 1 1177 1 1 1 1 1 1 1 1134 1022 1 1206 1 1247 1 1259 1 1 1308 1 1578 1052 1 1079 1009 1 1098 1 1 1183 1 1 1 1 1 1037 1 1 1 1007 1 1 1144 5854 6227 1034 1332 1 1 1 1 1 1 1 1 252.0587 *252.0634* 252.0634@2.1765687 1 1 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1486 1697 1834 1 1 1 1 1921 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3384 3367 1500 1 1 1 1 1 1 1 1 1 1 1 1 1720 1606 1612 1086 2396 1 2292 1082 1 252.0634 *252.0854* 252.0854@2.0766468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0854 *252.0884* 252.0884@2.0708165 1 1 1 1 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 2391 1 1 1 1 1 1 1 1670 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 1454 1 1 3134 2468 1 1 1 1 1 1 1 1 1 1 1 1 2649 2184 1 1 1 1 252.0884 *252.0989* 252.0989@2.311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 252.0989 *252.1028* 252.1028@2.5172834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6260 6109 1 1 1 1 1 1 1 1 1 1 252.1028 *252.103* C14 H12 N4 O 1 2785 2065 2183 2808 3071 4538 4779 2495 2745 1 1 1 1 1 1 1 1 2216 2245 3292 3740 3322 3223 2418 1726 3417 3491 1 1 3987 1918 1 1 2053 4027 1923 17755 3821 4647 4293 4530 2500 2279 1 1 4335 1797 1 1 2641 2986 2029 2023 2951 3361 11714 1371 4790 4988 6885 7084 2933 3618 6528 28750 3345 1644 1279 1167 5149 32570 4107 3717 1616 1689 3725 3488 7998 8073 13967 4506 4092 3884 5095 5229 3053 1692 9066 9808 252.103 *252.1057* 252.1057@1.4131593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4282 6059 1 1 1 1 1 1 1 1 1 1 252.1057 *252.1162* 252.1162@4.223751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 177140 179198 1 1 1 1 1 1 1 1 1 1 1 1 252.1162 *252.121* Pro His 5866 5147 5982 5777 6431 4025 5685 3353 5635 5457 3710 6141 9813 2451 5897 5426 35998 35037 5784 3567 4654 4607 5405 5181 5470 5808 5819 5190 7848 7838 5328 5596 4881 4803 3019 6182 5282 5659 3160 4999 4981 2986 6725 7403 7943 4205 7591 7844 7325 6712 7044 6475 4318 6529 6566 7162 4650 7168 7113 7582 6998 7176 4905 4471 1 2742 4439 3784 5435 5602 1470 5214 4345 1 4959 5308 4868 4917 28827 29609 1520 3215 3074 4403 2997 5364 4821 2864 3139 5923 252.121 *252.1291* 252.1291@1.0467925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1291 *252.1353* 252.1353@1.2092909 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 1905 1826 1 1 1133 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1 1 1 252.1353 *252.1395* 252.1395@1.1530495 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3557 1 1770 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 252.1395 *252.1418* 252.1418@1.8110653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 252.1418 *252.1433* 252.1433@1.6501712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 252.1433 *252.1446* 252.1446@1.1765265 1 1762 1187 1 1 1 1 1351 1694 1454 1 1 1747 1 1 1618 1 1392 1259 3756 3347 1 1286 1 1 1 1 1 1114 1 1 1926 1 1302 1404 1 1 1 1766 1 1378 1512 1154 1 1 1 1486 1800 1 1 1 1252 1 1 1189 1567 1436 1549 1 1 1 1 1370 1 1502 1204 1405 1 1 1 3083 2059 3295 1 1 1 3669 3245 1 1 1 1 1 1 2061 1459 1 1392 1 1001 252.1446 *252.1469* 252.1469@1.8550138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5970 1 1 1 1 1 1 1 1 1 1 252.1469 *252.1487* 252.1487@1.61 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 252.1487 *252.1508* 252.1508@1.1897755 1 1 1 1 1 1 1 1 1591 1 1637 1 1 1 3384 1 1 1 2291 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1 1402 1 1207 1 1 1 1524 1 1 1 1 1631 1 1 1 1 1 1 1 1 1 1568 1665 1 1 1 1 1 1 1 2049 2049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1508 *252.1545* 252.1545@1.1987677 1483 1 1 2756 1 1 1 1 1 1 1 1 2096 1972 1 1648 1 1 1 1 1 1 2169 3233 1 1 1204 1576 2014 1685 1205 2192 1 2763 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 2321 2020 2113 3225 2429 1 1 1 1 1 1 1 1 1 1 3419 1 1 1 1 1 1 1 1 1959 1 1 1 1 4446 2639 1307 1 3715 1 1 1 2141 3091 1 1 252.1545 *252.155* 252.155@1.625437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 4662 1 1 1 1 1 1 1 1 1 1 1 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 8091 1 1 1 1 1 1 1 1 1 1 1 252.155 *252.1593* 252.1593@1.1762581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 1 1 1 1 1 1 1 1030 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.1593 *252.1852* 252.1852@1.0725429 1 1 2541 1 1 1 1 1 1 1560 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 252.1852 *252.193* 252.193@1.0759015 1 1 1 1 1 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 3395 1 1 1 1 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 1 252.193 *252.1941* 252.1941@1.077862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 2048 1 1 1 1 1 1 1 1 1 1005 1 1 2945 1 1 1 1 1 2968 1 1 1 1 1896 1 4462 4768 1 1 1105 1 1 1 1 3962 1 1 1 1 1 1 3597 1 1 1 1 1 1 1 1 1 5151 2139 1 1 1 1341 1 2337 2944 1 1 1 252.1941 *252.2011* C7 H24 N8 O2 1 3284 1 3665 1 1 1 4376 1 1 3311 1 1 3488 3971 1 1 3641 1 1 4374 3986 1 1 1 3585 2906 4033 3823 2887 2058 2389 1 4164 3291 2972 1979 1 1 1 3702 1 2778 1 2409 1 1 2751 2322 2803 1 3303 1 1 1 3217 2102 1 1 1 1 1 1 1 3606 1786 1 1 1 3296 1 1 2163 1 1 1 3181 3045 1 2465 3829 3482 3778 1 1486 1 1 3681 1 2085 252.2011 *252.2044* 252.2044@1.1058096 1 1 2262 1 3560 3091 3736 1 3169 2439 1 1 4012 1 1 3173 3361 1 1 2660 1 1 1 1 3126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3477 1 1 1 1 1 1 1 1 2153 1 1 1 2890 1 1 1 2697 1 1 1 2859 3225 1 1 1 1 1 1 2813 1 1 1537 1 1 1 1 1 1 1 1 1 2413 1 1 1 1 1 1 252.2044 *252.2497* 252.2497@4.217219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 252.2497 *253.0021* C13 H3 N O5 1 1 1 1 1 1 3835 4004 2761 3119 1 1260 3615 3482 2585 2424 1 1 4607 1 1 1 3207 2980 1 1 2064 1665 1 1 1 1 1 1 1405 1 4001 4403 3402 3368 6368 1 1 1 1 1 1 1 1 1 2503 2792 6900 7445 1 1 1 1 3248 2027 2024 2089 1 1 1752 1751 1 1 1 1 6787 7075 1685 1460 2730 2970 7459 5776 1 4504 6066 6511 1 1 5847 5314 1800 2086 1 3818 253.0021 *253.0064* 253.0064@1.505269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1080 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 253.0064 *253.0134* 253.0134@1.5061455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1131 1602 1 1 1 1 253.0134 *253.019* 253.019@1.5122689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.019 *253.0637* 253.0637@2.1230154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2434 3705 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.0637 *253.0873* 253.0873@3.7113285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5647 5476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.0873 *253.1075* 253.1075@3.8429835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64309 59516 1 1 1 1 1 1 1 1 40395 40954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1075 *253.108* 253.108@3.903028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.108 *253.1183* 253.1183@2.170928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1183 *253.1316* 253.1316@1.2145293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 253.1316 *253.1317* 253.1317@5.3281446 1694 2115 1 1 5832 5582 1 1 1 1 1050 1 1 1 1 1 1 1 2414 2284 1 1 1 1 1 1 1 1 1 1 2254 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1147 1 1 1375 1352 1 1 1 1 1398 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5707 4979 1 1 253.1317 *253.1353* 253.1353@1.7960753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2308 1 1 1 1 1 1 1 1 1 1 1 253.1353 *253.1365* 253.1365@1.2543225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7685 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1365 *253.1401* 253.1401@2.9119067 1 1 1 1 1 1 1 1 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 6145 1 1 2016 1 1 1 1 1 1 1 2987 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 1 253.1401 *253.1412* 253.1412@1.3078345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1412 *253.1482* 253.1482@1.2833865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1283 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1290 1 2067 3941 1 1 1 1 1 1 1 2042 1 1 1 253.1482 *253.1519* 253.1519@1.2564063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11274 1249 1 1 1 1 1 1 1 1035 1 1 253.1519 *253.1675* 253.1675@4.4941297 4762 3949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4958 4647 3819 4172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1954 1701 1 1 1 1 1 1 253.1675 *253.1709* 253.1709@1.0458108 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.1709 *253.1724* 253.1724@1.1639968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1646 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 253.1724 *253.1779* 253.1779@1.1968646 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1509 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 2408 1500 1 1 1 1 1 1 1 1 1 1 253.1779 *253.1923* 253.1923@1.200399 1 1 1 1 1 1 1 1368 1 1 1 1 1912 1 1 1 1231 1736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1724 1624 1 1 1 1 1 1 2175 1202 1 2006 1 1 1 1 1 1 2389 1 1127 1 1 1378 1129 1 1 1 1 1 1 3158 1 3103 1 1 1 1 1535 1 1 253.1923 *253.1963* 253.1963@1.194537 1 1 1 1 1098 1 1 1 1 1 1 1 1 1 2051 2076 1 1 1 1 1 1 1 1 1 4458 1 1 1 1 1 1 1 2491 1 1 1 1 1210 1 2833 2924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4269 1 2953 1 1 1 1 1 1 253.1963 *253.2013* 253.2013@1.0924187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.2013 *253.2027* 253.2027@1.187246 2468 1 8356 5286 1 1 1 1 3235 2637 15280 18559 1 1 1 1 1 1 1461 1 1 1 1476 1 3861 1 11543 12526 1211 1 1 1 1972 1 4385 5441 9176 9531 1 1 1 1 2725 2361 4499 11987 1 1 1 1 1 1 1 1 1 7256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.2027 *253.204* C11 H23 N7 4287 5860 6058 5143 4218 3773 3560 4086 4149 5304 5498 4825 3508 3716 4071 4623 4191 4276 3718 3632 5833 4762 5606 7821 4792 4407 6111 3867 5255 4620 5995 5672 4023 2695 3953 4106 4271 5294 3779 4112 4282 4092 5092 4624 19048 5956 3489 3656 4012 5986 4296 4816 6738 5011 5121 3700 3820 5770 5032 3937 3588 3116 5273 5919 5290 5709 4473 4555 6474 5187 3949 4710 4321 4390 7550 5219 3953 3640 7175 4850 5125 5381 5556 8095 4511 4013 4294 5168 5368 4873 253.204 *253.2249* 253.2249@1.1306968 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 253.2249 *253.2306* 253.2306@1.1294069 1 1 1 1 1 1 1 1 1 1 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 1 1 253.2306 *253.979* C6 H8 Cl2 N4 O S 1118 1062 1137 1399 1047 1017 1004 1125 1 1058 1 1107 1 1 1 1103 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1039 1 1100 1 1 1 1 1161 1325 1040 1060 1 1 1 1045 1127 1 1880 1661 1251 1369 1284 1404 1141 1214 1 1424 1 1695 1220 1 1 1515 1058 1552 1 1193 1630 1978 1086 1152 1233 1533 1524 1920 1561 1421 2073 1904 1705 1529 1819 1864 1358 1637 1169 1679 253.979 *254.0689* 254.0689@2.0217903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.0689 *254.0858* 254.0858@1.4472985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 254.0858 *254.0903* 254.0903@6.164552 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 1 1 1 1 4667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 1 1 2593 1 1 1 1 1 1 1 1 1 1 3605 1 1 1 1 1 1 1 1 1 254.0903 *254.0904* 2-Hydroxyfelbamate 7233 6994 9804 9543 5729 5528 8631 8771 7035 7640 8096 6553 4939 7742 6887 6233 7375 7365 6205 11942 6423 7484 8379 8836 6317 6924 5644 5953 6441 6152 6385 5584 10251 10023 10393 11034 12874 13685 12325 12095 7945 8946 10552 9682 9648 8569 9062 8037 7256 5532 15400 15836 12275 12760 10305 9170 6500 7321 12136 11832 13915 14190 11306 9688 11582 11512 7646 8903 10092 7583 22497 21971 6491 6685 7816 6941 16022 16617 12831 10816 15878 18786 14933 14707 17983 19454 8138 7843 18030 18850 254.0904 *254.0909* p-Hydroxyfelbamate 1 1 1 1076 1 1 1 1 1140 2024 1 1 1 1 1 1 1 1 1 2250 1990 1157 2399 2089 1 1 1 1 1 1 3082 2415 3197 2919 1628 2036 3224 3314 3631 3639 2228 1 2549 2548 2088 2148 1 1 1 1 1 1762 1 1806 1 1 2371 2247 2619 2392 1 1 1355 2644 1 1 1 1 2736 3129 2499 2280 1272 1 1 1 2109 1474 1 1 1961 1 1 1 2779 2769 1 1 1996 1 254.0909 *254.1077* 254.1077@2.1294234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8072 7552 1 1 1 1 1 1 1 1 1 1 254.1077 *254.1423* 254.1423@1.407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 254.1423 *254.1509* 254.1509@1.7820846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 254.1509 *254.151* 254.151@1.8280249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4428 6979 1 1 1 1 1 1 1 1 1 1 254.151 *254.1524* C15 H18 N4 15655 16197 19102 17580 18721 23754 14346 14142 18730 17775 17177 16505 6291 15382 20326 20932 22485 21007 19983 18507 20779 20598 35630 37352 14057 15667 12127 10079 25021 23470 57343 55100 46529 49464 62526 53715 38199 40920 24302 21583 27442 27795 20517 21053 19271 18904 24859 1 21132 22681 39368 40239 53614 50328 31812 32966 33187 40812 23216 21582 25711 23544 19511 22212 27526 30477 33132 33826 48768 40521 24574 24722 25729 22700 20695 19249 6324 12548 29775 30697 26293 27065 20880 22908 17692 17450 37811 37273 43880 45007 254.1524 *254.1546* 254.1546@1.1284899 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 7101 5862 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 1 254.1546 *254.1605* 254.1605@1.1864609 1 1 1227 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1441 1074 1 1 1 1 1 1 2218 1 1186 1 1 1 1 1 1 1 1 1 254.1605 *254.1686* 254.1686@1.2073714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 254.1686 *254.1738* 254.1738@1.2120242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 254.1738 *254.1828* 254.1828@1.1189493 1 1 1 1927 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 3219 1196 1 1 1 1 2807 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1828 *254.1863* 254.1863@1.207731 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1863 *254.1871* 254.1871@1.113316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3771 3986 2141 1 1 1 8561 2613 1 1854 1 1 4657 1 1 1 1 1130 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1871 *254.1927* 254.1927@1.0762849 1 1 1 1 1 1 3359 2264 3112 1 1 1 2321 1 1 1804 1 1 1924 1 2019 3093 1 1303 1 1 1 1 2432 2233 1 1 1 1 1 1 1 1901 1 1 1 2011 1 1 1 1 1 1550 2039 1 1 2629 1476 1 1 1 1 1 1 1 1328 1 1 1 1 1 1 1 1 1990 1 1 1 1624 1 1 1 1 2904 2787 2705 1 2975 3132 1107 1 1 1860 2717 2255 254.1927 *254.1989* 254.1989@1.0944765 4264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1029 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 1440 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.1989 *254.2118* 254.2118@1.0894995 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 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 1 254.2118 *255.0462* 255.0462@2.5130641 1 1 5353 1 1 1 1 5924 1 1 4661 1 1 5319 1 1 1 1 9599 9951 1 1 7822 1 1 1 1 1 1 1 1 1 1 1 1 1 6869 6405 1 1 1 1 1 5038 1 1 1 1 1 1 8549 9174 1 7788 1 1 1 1 1 1 1 8514 7329 1 1 1 1 1 1 1 1 7086 1 1 1 1 7902 8334 1 1 1 9464 7744 1 10770 1 8755 7738 9800 1 255.0462 *255.096* 255.096@3.6991587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.096 *255.1029* 255.1029@3.614972 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1029 *255.1031* 255.1031@3.8564467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210396 213803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528572 527498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1031 *255.1041* 255.1041@4.020885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6683 7506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1041 *255.1089* 255.1089@1.2442485 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 2106 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 1769 1 1 1546 1 1 1 1 1 1 1 1 1 3267 2752 255.1089 *255.1122* 255.1122@6.7270136 1 1 1 1 1 1 1 1 1 1 1239 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1170 1054 1 1 255.1122 *255.1541* 255.1541@1.8180306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30417 33131 1 1 1 1 1 1 1 1 1 1 255.1541 *255.1605* 255.1605@1.7936107 5866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9953 1 1 1 6908 5989 1 1 1 3567 1 5989 9891 1 1 1 1 1 1 1 1 1 1 4612 1 1 1 1 1 1 1 1 7500 7248 1 1 1 1 1 3792 1 1 1 1 1 6115 1 1 1 1 1 1 3656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7910 7347 1 1 255.1605 *255.1639* 255.1639@1.8216231 1 1 1 1 1 1 4927 1 1 1 1 1 1 1 1 1 3250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8746 2245 1 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 1 1 1 1 1 1 1 1 2527 1 1 2314 2654 1 1 1 1 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1639 *255.164* 255.164@4.079112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19018 17984 12925 12160 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 2473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9389 10278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45786 43231 255.164 *255.1663* 255.1663@2.0556083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1663 *255.1672* 255.1672@1.3420686 1 1 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 2084 1 1 1 1 1 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 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 1 255.1672 *255.1677* 255.1677@1.5969365 1 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 255.1677 *255.1678* 255.1678@2.9416041 1 2014 1 1 1 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 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 2137 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 1 1 1 1 1434 1 1 1 4858 4027 1 1 255.1678 *255.168* 255.168@2.1747632 1 1 21398 1 1 1 32668 14513 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 21627 26937 1 50302 1 1 1 1 1 10556 1 24629 14697 1 1 1 1 1 29057 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 1 255.168 *255.1681* 255.1681@1.1991183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4447 1 1 1 3316 1 1 1 1 1 7584 3448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4358 1 5478 1 1 1 1 1 1 1 1 3359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1681 *255.1681* 255.1681@0.6546903 3538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2473 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 1 1 3833 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 255.1681 *255.1682* 255.1682@1.9950632 1 1 42061 1 1 1 17590 2355 1 1 1 1 1 1 1 1846 1 1 1 1 1 2033 1 1925 1 1 36134 33593 1 30016 1 1 1 1 1 1 1 36510 2921 1 1 1 1 1 1 16379 1 1 1227 1 4144 1 1 1 1 1 1 1 3173 1 2085 1 1 1 1 1 9627 1 1970 1 1 1 1 1 1 4660 1 1 1 1 1 1 1 1 3530 1 1 1 1 1 255.1682 *255.1683* 255.1683@2.1406865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23894 1 1 1 1 1 1 1 1 1 20803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1683 *255.1684* 255.1684@0.78903747 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1684 *255.1722* 255.1722@2.2792835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1722 *255.185* 255.185@1.205868 1 1 1 1 1 1 1 1 1 1 19613 13821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.185 *255.1864* 255.1864@1.2038182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.1864 *255.2088* C12 H25 N5 O 1 1 1 1 1 2889 1 2982 1 4511 7502 1 1 1 1 4374 1 2526 1 7471 1 1 4380 3591 3170 4712 6995 8091 3123 1 4539 3781 5235 1 1 8790 1 1 4951 5693 5794 1 1 1 1 1 6256 1 3613 3914 1 3276 3281 3717 7400 1 3479 1 3955 4783 4070 3497 3466 4056 3421 1 4623 4481 6840 7830 7138 2899 3715 4786 1 1 3070 1 1 3636 1 1 1 1 2533 1 1 5517 1 1 255.2088 *255.2157* 255.2157@1.1647662 1 1 10585 6990 1 1 2908 1664 5990 1 1 1 6047 2377 1 1 2136 1 3852 1 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 8024 1 15350 15129 1 1 1 7409 1 10909 16896 18680 1 4461 1 1 2975 1 1 1 1 7274 1 1 1 1 1 1 1 1 1 2212 1 1 1 1 1 1 1 1 1 2346 1 1 1 1 1 1 7741 6880 1 1 6834 1 1 3340 255.2157 *255.2165* 255.2165@1.143779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1773 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 1 1 1 1 1 1 1 255.2165 *255.241* 255.241@1.0856521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 255.241 *255.2507* 255.2507@1.0785185 1 1 1 1 1 1 1127 1 1 1 1 1 1417 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 2667 1 1 1 1 1 1 1 1854 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1727 1 1 1 1 1 1 1 1 1 255.2507 *255.2912* 255.2912@2.4493687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.2912 *255.2918* 255.2918@2.8200042 1 1 1 1 1 2142 1 1 1 1 1 1 1 1278 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 5556 1 1 1 1 5573 1 1 1 1 2976 1 1 1 1 2381 1 1 1 1945 1857 1 1 1 1043 5152 5323 4501 3086 3877 1 3483 1 1126 2975 2018 3615 1 1 255.2918 *255.292* 255.292@4.158284 1 1 1 5652 1 1 1 7684 6954 10283 2390 1 1 1 1 1 1 1 6385 1 1 1 5927 1 1 1 1 1 1 1 2590 1 1 4314 1 1 1 1 1 1 1 4252 1 2299 1 1 1 1 1 2623 6692 1 1 1 1 1 1 1 1 1 1 6939 1 1 1 1 1412 1 1 1 1 1 1 1 6385 1 1 1 1 1 1 1 1 1 1 3784 1 1 1 1 255.292 *255.2921* 255.2921@2.7426589 1 1 1 1 3729 1 1 2256 1204 1 2032 1 2243 1779 2688 1 1054 1 1 1 1114 1 2889 1036 1 3444 1 5878 1 1856 1 1 3871 3255 1 1830 1 1808 1 1 1 1860 1 1 1 3614 1 2050 5189 3964 8129 1 5375 5071 1 1 2497 3534 1 2664 3940 1572 3544 1 1 1 1 1 1 1615 1216 1262 2607 2428 1 1424 1 1 1 1119 1 1 1 1 1 1635 1 1 1 1 255.2921 *255.2921* 255.2921@3.9447033 4143 6492 1 7812 1251 7542 6058 7353 7109 1174 5590 6790 1 1 1 3693 1 4443 6619 3484 5766 1 2566 1 7612 4884 6520 8675 7406 6368 3837 1 3680 7706 2328 3996 3454 1 6645 4288 1 5767 7438 3489 8373 5533 4209 7452 7883 3347 10246 11370 11208 11257 10468 1 9440 8239 1141 7530 4562 1251 3644 1 1 3866 1463 5242 1478 4638 4287 4395 5258 1 1845 1 3790 3927 4444 4287 4224 4342 3881 3815 5394 4034 4231 1 2197 5114 255.2921 *255.2922* C17 H37 N 1 1 1 8383 1 1 5913 4230 3113 5573 10801 6231 1 1 1 5703 1 1 3719 1 1321 1 7381 4266 16530 1 1 2166 2595 1 6570 1 1500 4019 2172 1 2969 3159 5447 5420 1 10087 1315 8168 3808 1 1 1262 1 3188 7905 2412 1 1 1249 16856 13093 1 3788 1 1 4676 2098 8271 1 1 3299 1 1 1 1 1 2898 1 4885 1 1 1 1373 11934 1 1766 1 10057 1 4797 1 4725 11310 1 255.2922 *255.2929* 255.2929@2.8788304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 255.2929 *255.2929* 255.2929@4.117464 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.2929 *255.2931* 255.2931@4.029932 1 1 1 6142 1 1 1 6879 3585 1 1 1 1 1 1 4373 1 1 1038 1 1 1 3216 1 1424 1 1 2868 1 1 3409 1 1 1761 1277 1 1 1 1 1195 1 1 1 7086 1 1 1 1 1 6178 1343 1 1 1 1 1 1446 1 4541 1 1 1 1 1 1 1 2341 1 1 1 1 1 1 1 1 1 1 1 1841 1 1 1 1 1 1 1 1 1 1 1 255.2931 *256.0423* 256.0423@2.3089075 1 1 1 1 1 1 1 1 1 1 1 1 5949 1 4707 1 1 1 1 1 1 6695 7916 1 7618 1 1 1 1 1 1 1 8234 1 8660 8436 8769 1 10764 11509 1 1 8814 9603 1 1 1 1 1 1 9996 9911 1 1 1 1 7151 1 1 9604 1 1 1 8192 7450 1 6325 1 1 8900 13501 13423 1 1 1 1 1 1 1 1 14118 1 1 8579 14017 1340 9322 1 1193 12224 256.0423 *256.0427* C12 H8 N4 O S 19854 20719 3673 24084 2624 15036 26121 27908 20251 22269 3754 3440 25865 26053 22332 22055 21038 19609 42296 46385 21180 23436 36695 3105 13638 14822 23546 23965 29126 27049 23213 21000 22798 21550 22510 21911 31559 32764 30328 32224 34065 33988 22298 23396 23226 24565 23164 23429 29813 29079 38304 42127 35738 34610 26857 29053 16810 17258 39316 38213 41100 39464 4933 33568 21035 19941 23666 23167 27760 26853 28023 31429 17265 16834 15779 14359 35457 38671 33716 33143 42249 44930 35974 35708 48848 6811 38287 36520 45499 43570 256.0427 *256.0498* 256.0498@2.308 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.0498 *256.0519* N1,N4-Diacetylsulfanilamide 2856 1445 1 1886 2070 2126 1 1 2188 2021 2467 2405 2358 1 1 1 1 1 1831 2000 1 1 1544 1 2544 1857 13207 12831 1811 2321 2911 1 1991 1 2294 2636 2777 2567 1 1 2998 2917 2100 1766 3954 4062 1 1930 2317 2468 2444 2540 1796 1 3977 4219 2839 3180 3462 3733 1 1795 2618 2215 3238 1253 1041 2850 1958 1 1033 2397 1 1 2361 2163 1 1 2197 1787 2947 2873 3068 3212 1 1 1 1 1 2492 256.0519 *256.0701* C10 H12 N2 O6 1 10090 11682 11954 15684 16033 13467 13572 19997 19572 17173 19249 6909 8730 8654 8742 14952 14881 9724 9811 10773 11329 13313 13371 10951 11890 11417 9951 5771 5080 14791 14747 16537 14149 15281 15625 18375 16785 1 18827 14165 15565 12516 11438 13068 13080 18305 16391 1 6879 13054 12964 20375 24017 10258 9890 7966 9530 9254 9178 21565 23271 12096 14096 19266 19939 9679 8488 19684 22081 12012 10242 16968 16029 19838 19833 12498 13830 11809 11713 8780 1 12649 11723 15791 17002 11044 10391 25076 22330 256.0701 *256.0796* 256.0796@2.2142131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1480 1 1463 1 1 1 1 1 1 1 2365 1688 1 1 1 1 1 1 1772 1 1 1 1 1 1 1 1 1 1 1 256.0796 *256.0844* 256.0844@1.1747844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 256.0844 *256.0903* 256.0903@1.4235804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0903 *256.0957* C13 H20 O S2 4803 3402 3582 3307 5214 6817 3670 5266 4763 6930 3692 4086 5075 5838 5447 3568 1 3557 6956 5429 3816 3152 3690 3233 10540 11854 5126 4137 1 1 4794 5650 4727 5780 3996 1868 3086 3685 5488 5868 1 1 1 4005 4242 3690 3436 1 2455 2004 2302 1120 1092 3515 3489 2023 3283 1907 1648 1875 2926 2816 5251 5215 5787 1 2850 2485 1 2002 1 1 1 3167 12707 12636 3762 7228 3010 1 1 3153 4751 4400 4698 8663 6595 4621 1 1 256.0957 *256.0959* 256.0959@1.4380552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1414 1427 1 1 1 1 1 1 1 2993 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1414 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4934 1 1 1 1 1 2338 2283 1 1 1 1 256.0959 *256.1* 256.1@1.4966573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 256.1 *256.1023* 256.1023@3.2363055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1051 2680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1057 2371 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 1 256.1023 *256.104* 256.104@3.221817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.104 *256.1048* Dinorpromazine 35501 35318 43006 41558 40355 40039 51032 52048 39576 41435 41809 39850 40387 42693 37820 36700 35158 39782 52445 53712 45469 44082 49396 54248 32279 1 41188 43701 32266 15875 60840 58524 48401 46698 48868 50234 63750 59123 63782 63777 57312 59653 40768 42149 47269 46954 54722 53841 41694 42438 85825 83302 74640 77558 42541 42616 45081 47528 64727 66601 71301 72245 47870 54422 60110 59687 54485 51271 50380 46516 133546 147673 35807 36848 46419 49701 56742 88588 95273 90158 99624 97278 53375 38720 120764 126939 79688 87856 76707 83473 256.1048 *256.1064* 5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric acid 7436 6778 8236 8655 5793 6449 9583 9129 8173 8023 7876 7404 10400 9338 9127 8893 9806 9156 12240 11740 11145 11513 11363 11187 7589 7961 8538 8409 6920 7025 13551 13389 10334 1368 11359 11645 14935 12154 10697 12277 10580 10385 10328 10021 11694 11190 12246 11459 9063 10297 2503 1 6485 8652 4989 5862 8058 7774 10623 10155 1 2650 8729 10625 5902 5555 2509 3441 9691 10065 2617 1 7709 3770 2432 5392 1 1 1 1949 1623 1 1 1 2413 1 1 1 6765 5515 256.1064 *256.1064* 256.1064@2.842873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.1064 *256.1159* 256.1159@1.2305553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1159 *256.1257* 256.1257@5.0809135 1 1 3331 3267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23782 23826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1257 *256.126* 256.126@4.964442 1 1 4405 4249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30064 30790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.126 *256.1361* 256.1361@1.1978449 1 1 1 1 1 1 1 1 1852 1 1 1 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 1 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1361 *256.1367* 256.1367@1.1685822 1 1 1 1 1 1 1 1 1 1 1 1 1 2092 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 3688 1 1 1 1 1 1 1 1 1 1 1 256.1367 *256.1419* 256.1419@6.606639 1 1 1342 1 1 1 1081 1 1132 1 1883 1 1 1 1 1335 1 1 1 1697 1 1 1 1 1149 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1177 1 2045 1 1 1 1 1 1 1318 1391 1 1386 1 1 1 1 1 3128 1 1 1 1 1 1 1 1 256.1419 *256.144* 256.144@1.1570078 1 1 1 1 1 1 1675 1620 1 1353 1 1 1 1 1 1 1 1 2053 1786 1991 1 1760 1757 1599 1541 1468 1686 1 1 1 1 1458 1 1 1 1455 8340 2590 1 1 1 1 1032 1 1 1 1 1674 1263 1 1 1 1 1 1 1 1 1 1 1 1929 1 1 1 1 1015 1243 1 1 1 1 1 1 1 1590 1 1066 1 1 1 1 1 1 1 1062 1 1 1 1 256.144 *256.1492* 256.1492@3.2234275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 256.1492 *256.1505* 256.1505@1.185228 1 1 1346 1668 3303 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 2851 1 1 1 1 1 1 1 1 1 1 1 1 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 1335 1 1 1 1 1 3165 1024 2344 1 1 1 1 1 1 2574 1 1 1 6202 1 256.1505 *256.1543* 256.1543@3.2467022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6392 5079 1 1 1 1 1 1 1 1 1 1 1 1 256.1543 *256.1565* 256.1565@3.3446515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158358 171266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1565 *256.1567* 256.1567@5.790357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2929 3737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1567 *256.1576* 256.1576@5.4653177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5460 17663 5706 3516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1576 *256.1578* 256.1578@5.569031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8071 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1578 *256.158* 256.158@4.569654 1 1 1 1 1 1 1 1 1 1 1 1 8110 7769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.158 *256.1583* 256.1583@1.2108537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1583 *256.1655* 256.1655@1.195307 1 1 1 1 1 3085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3585 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 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 2165 1 1 1 1 1 1 1 1 1 1 1 256.1655 *256.1666* 256.1666@2.983718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1666 *256.1671* 256.1671@1.2024097 1 2644 1 1 1 1 2148 3778 2084 1 1 1 1 4950 1 3499 1 1 1 2873 3431 2863 1 1 4872 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 1341 1 1 1 1 1 1 1 1 1 1 1 256.1671 *256.1685* 256.1685@1.2081227 3196 1 1 1 1 1 1 1 1 1964 1 1763 1 1 3506 1 1 1 1 1 1 1 1 1 1 4341 3926 4286 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1685 *256.1718* 256.1718@2.1668887 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 6595 1 1 1 1 1 1 5561 1 5520 1 1 1 1 4649 1 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 256.1718 *256.1874* 256.1874@1.1645967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.1874 *256.2022* 256.2022@1.3171166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1712 1 1 1 1 1 1 1 1 1 1 1 256.2022 *256.2083* 256.2083@1.3094789 1 1 1 1 1 1 1 1 1 1 1 2468 1 1 1 1 1 1 1582 1 1 1 2168 1 1 1 1 1 1 1 2281 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1792 1 1 1 1 1 1360 1 1 1 1 1 1987 2107 1 1 1 1 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 1 1 1 2012 256.2083 *256.2086* 256.2086@1.0775847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2086 *256.2117* 256.2117@1.3302277 1 1 9802 8235 2092 1917 1 1 3354 3592 4000 4359 3512 3253 3237 3296 1 1 1 2114 1 1 1 2074 4470 4603 4002 4313 1 1315 1 1 1 1 2879 3697 8764 8118 5437 5264 2567 2346 6728 6435 5409 5170 1 1518 1 1 1 2760 1 1 3223 3183 1 1 1 1 3215 3964 4903 4859 1 1 2960 2513 1630 2069 1 2294 1844 1635 1383 1 4363 4716 1 1 1 1545 2825 3064 1 1951 6288 6193 2042 1 256.2117 *256.2944* 256.2944@4.210609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1194 1 1 1 1 1 2300 1 1 1 1 1 1 1 1503 2156 1 1 1 1 1 1 1368 1 1154 1 3129 1 1 1 1 1106 2291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.2944 *256.2967* 256.2967@4.2051296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 256.2967 *257.0258* 257.0258@2.1424787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 257.0258 *257.0305* 257.0305@2.878275 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 1 1 1 1 1 1 257.0305 *257.0328* 257.0328@1.4632392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3764 3657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.0328 *257.0449* 257.0449@1.4883637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 257.0449 *257.0627* 257.0627@2.1274254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 2024 1 1 1 1 1 1 1 1 1 1 257.0627 *257.0673* 257.0673@2.075111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4649 1 1 1 1 257.0673 *257.0743* C13 H17 Cl2 N 2586 2834 2800 1 2277 2414 2786 3073 3048 3088 2352 2224 2274 1 2526 2375 4163 4277 2169 2321 2152 1826 2628 2545 2179 2209 1684 1 1 1371 1 3597 1 2425 3336 3696 1 1 4007 4571 4377 4636 3289 1 3519 1 4605 4283 2112 1894 2646 2829 4550 4706 2069 2293 2779 3102 4733 1 5880 1 1 1 1 1 1988 1484 4268 1 9727 1773 3130 2923 1 4386 4822 4789 6728 5597 1 3888 2866 2978 5216 6521 2443 2779 4471 1 257.0743 *257.0749* 257.0749@2.1775324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 1 1 257.0749 *257.0756* 257.0756@2.0830731 2058 2042 1883 1751 1904 2743 2255 1937 1897 2163 1592 1512 1521 1719 1393 1 1477 1518 1733 1903 1571 1690 2041 2379 2201 1919 1 1 1647 1 1974 2018 2768 1 4549 2399 5295 5531 2332 2400 1 1 2456 2523 2081 1 1253 5699 1688 1407 2896 2185 4004 3236 1 2028 2629 2470 1 5575 3046 2537 5762 5910 7110 3175 2254 2431 5384 2094 3699 3291 4319 2426 5023 6222 2581 2982 2302 2738 2675 2660 2402 2517 4438 1 2244 1997 2748 2641 257.0756 *257.0999* 257.0999@3.8528366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68098 68954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.0999 *257.101* 257.101@3.499549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.101 *257.1019* Benserazide 4563 6789 6217 6769 5577 4473 5893 6310 10976 7642 7453 9296 8211 12976 11860 11451 11059 8847 5488 5148 14759 15152 6763 8931 7101 7659 6842 6017 9145 7364 1 1 17566 17924 6053 7276 11984 9474 4935 5636 7126 6567 5798 7237 8006 6547 6550 8010 13041 12068 11345 10374 6715 7965 6079 7517 10183 10012 5426 5104 5587 6076 6258 6044 9337 10743 6516 7501 12996 12806 12254 16059 7446 10074 18710 17649 12693 13436 16969 19907 9689 6577 10161 5963 14617 14642 14464 16366 4817 6860 257.1019 *257.104* 257.104@8.727016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1813 1 1 1 1 1 1 1 1 1 1 257.104 *257.1084* 257.1084@3.063031 1 1 1 1 1 1 1 1 1 1 1 1 2054 1 1 1 1447 1 1 1 1 1 3684 1 1 1234 1 1 1 1 1 1 1 1 1412 1 1 5495 1 1 1 1 1 1 1 1 1 1 1 1 1 3500 1 1 1 1 1 1 1 1 1 1 1405 1 1 3686 1 1 1 1 1 1 1 1 1720 1 14246 1 1 4219 1 1 1 11798 1 1 2993 1 1 1 257.1084 *257.1101* 257.1101@2.985732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3725 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 8133 1 1 1 1 1 1 1 1 2875 1 1 1 1 1 1 3875 1 1 1 257.1101 *257.1104* 257.1104@2.6005154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1710 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1104 *257.1189* 257.1189@4.0863123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37250 32288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36261 38205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1189 *257.1592* 257.1592@1.4281563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 257.1592 *257.1625* 257.1625@5.7956505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1625 *257.163* 257.163@6.5489693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 257.163 *257.1639* 257.1639@3.6111512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1639 *257.1643* 257.1643@1.4612818 1 1 1 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 4173 2658 1 3596 1 1 1 1 9059 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 1 1 1 1 1 1 1 1 1 1 257.1643 *257.166* 257.166@1.2224307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1 1 1 1 1 1 257.166 *257.1699* 257.1699@2.2377696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2029 1 1 1 1 1 1 1 1 1 1 1 257.1699 *257.1935* 257.1935@1.1705295 1 1 1 1 1 3610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4746 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 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21641 19519 1 1 1 1 1 3062 1 1 1 1 257.1935 *257.194* 257.194@1.2009596 1 1 1 1 3152 1 1 1 1 1 1 1 1 4800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.194 *257.1964* 257.1964@1.5159866 2553 1 1 1 2377 2313 2699 1 1 1 1561 2918 1992 2224 1812 1644 2197 2689 3488 2911 1888 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 1 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1964 *257.199* C10 H23 N7 O 1 5463 6223 1 1 1 5243 6562 1 4575 18559 19856 4396 1 3393 4578 1 3229 1 1 1 4382 5391 7086 10561 9741 22788 25975 5958 6196 1 7311 5333 18137 9188 9075 25001 19758 19631 4687 10860 10303 1 7480 48358 53612 4973 4517 3577 3436 4253 4003 4878 17596 1 13328 27336 3769 3903 3827 4369 5138 6610 4627 16458 4719 22591 4531 1 1 1 3886 5236 12647 11028 2911 4574 3892 1 1 7402 1 15426 9023 2863 1 21437 6453 4064 2774 257.199 *257.2039* 257.2039@1.386908 1 2657 1 1 1 1 1 2846 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.2039 *257.2302* 257.2302@1.0486252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.2302 *257.2347* 2-pentadecenoic acid 1808 1 1265 1 1 1955 1931 1 1 1 2590 2415 1 1 1 1 2620 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 2205 1 2509 1 1936 1785 2620 1837 1 1 1 1 1 1 2320 1 1373 1 2316 2417 2735 1 2543 2889 1489 2895 1 1 2073 1745 2472 1638 2126 1 3471 2548 2673 2362 1872 2816 1 1006 1 1 1 1 2097 1980 1 2591 1 1381 1 1913 1982 1 1 1 257.2347 *257.2717* 9-hexadecen-1-ol 1 1 1636 1 1 1153 1 1 14961 14272 3076 3167 1824 6313 1564 5627 1 1562 4211 16656 3956 2363 14183 14512 1 1375 3347 3017 2592 2227 3503 1989 1 1 1 1839 3096 3319 7558 1680 9475 9048 1 1 1778 2654 1 1 2145 2331 1 1 4939 4549 2369 2692 1961 1 2133 9417 2562 2492 1867 2096 1902 2110 18942 18447 2841 2833 1 1 1 1 1 1 1 1 15324 14958 1 1 1 2194 1 1 1566 3811 3014 2744 257.2717 *257.273* 257.273@4.127579 1 1 1 1 1 1 1 1 2486 1224 1 1119 6398 1 5647 1 1 1 12170 1 2655 1 1 1 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 6857 1 1 1 1 1 1 1 1 1 1 1 1 2439 2415 1 1 1 1 8823 1 1 1 1 1 1 1 1 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3487 1 1 1 257.273 *257.8934* C4 H Cl3 N4 O S 3640 3993 4085 3872 4511 3945 4295 4183 4355 4219 4369 4492 4137 3987 3856 4426 4809 3816 4573 4456 4067 4542 4371 4306 3769 3900 4557 4373 3933 3321 4796 4736 4563 4390 4085 3853 4153 4680 4427 4529 4633 5350 3853 4230 4853 3940 4078 4102 4437 4148 5581 5759 4519 4665 4824 4727 4874 4795 4524 4231 4923 4793 4333 4462 5057 5041 4613 4856 3908 4057 5291 5902 4618 4539 4656 5004 5359 5237 6213 6043 5287 5247 5835 5399 6122 6279 5910 5351 4432 4077 257.8934 *258.0816* 258.0816@1.9993087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11706 11343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 258.0816 *258.0859* Ribothymidine 1 1 9740 1 1 1 1 1 1 1716 2508 2669 1 1 13229 1 1 1 1270 1 1 1589 1 1 1 1 18110 2129 1191 1 2149 19786 17930 1050 1665 1 1 10628 13910 1 2257 17996 13173 1 1 1 12150 1 1037 10452 1857 10694 1599 1559 1 3977 4353 4725 1 1 2246 18402 1 11889 2232 2034 13372 12677 18405 2061 21200 22486 18111 1589 1 1 1 18100 1 1 1 1 2038 20485 34078 1826 2370 2928 1 14261 HMDB00884 258.0859 *258.0863* 258.0863@1.9849871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3273 1 2303 2230 1 1 1 1 1 1 4258 4752 2673 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 2429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3241 3722 1 1 1 1 1 2437 1 1 1 1 1 1 1 1 1 1 3109 3352 1 1 1 1 258.0863 *258.09* 258.09@1.2687805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.09 *258.0915* 258.0915@1.5381284 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 258.0915 *258.0942* 258.0942@1.5535346 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0942 *258.0953* 258.0953@2.9846518 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.0953 *258.0965* 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide 2474 2266 2308 3713 1 1848 4395 4036 2841 3008 1660 2557 2848 2664 1 1 1747 1 2437 2634 3920 3534 2832 2716 2054 1 4046 4420 2196 2510 3914 4031 3720 1791 4122 3279 3452 3136 3773 3969 4234 3187 2005 2296 4358 2956 2947 3518 2083 1 8934 7861 4185 4808 3938 4412 4054 3861 1726 1 7607 6313 2443 2238 5723 5541 4362 5348 3831 5663 12947 13580 2932 2041 4391 2762 10121 9047 7421 7271 8315 7381 10256 9862 11443 9740 7836 6843 3107 3100 258.0965 *258.1007* 258.1007@3.0391915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.1007 *258.1019* 258.1019@1.2280066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 258.1019 *258.1058* 258.1058@1.9684787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9954 12223 1 1 1 1 1 1 1 1 1 1 258.1058 *258.1091* 258.1091@3.0599725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1091 *258.1306* 258.1306@1.2595086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1610 1 1 1 1 1 1 1 1 1 1 258.1306 *258.1406* 258.1406@1.1875082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3695 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 1262 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 1 258.1406 *258.1481* 258.1481@1.024221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14401 16702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1481 *258.1511* 258.1511@4.579939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1511 *258.1535* 258.1535@1.0974879 2134 1 1 1 1 3567 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3928 1 1 1 1 1 1 1 1 1 1037 3429 1 1 1 1239 1 1 1 1 1 1 2952 1270 1 1 1 1 3265 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 258.1535 *258.1602* 258.1602@1.1615158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 3489 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 258.1602 *258.1692* 258.1692@1.1223588 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2087 1 1 1 258.1692 *258.178* 258.178@1.101468 1 1 1 1 1 1 1 1 1 1 1 1 2038 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 258.178 *258.1843* 258.1843@1.2076186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 258.1843 *258.1941* 258.1941@1.1612023 1 1 1 1 1 1 1 1 1 1 2860 3309 1 1 1 1 1 1 1 1 1 1 1083 1 1 1 1 2304 1 1 1 1 1 1 1 1 1755 1500 1 1 1 1 1 1 2478 1 1 1 1 1 1 1 2299 1 1 1 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 1568 2621 4690 1 1 1272 1 1 1 258.1941 *258.935* 258.935@0.80957335 1 1 1599 1572 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1001 1 1 1 1283 1 1 1 1651 1 1 1 1 1 1 1 1 1662 1 1 1 1 2654 2328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1592 1 1 1 1 1098 1 2617 2913 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 258.935 *259.0556* 259.0556@1.9073182 1 1 1 1 1 1 1 1 1 1 1 2850 1 1 1 1 1925 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2860 1993 259.0556 *259.0645* 259.0645@1.9123584 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 1 1 1 1 2720 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 2707 2586 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0645 *259.0654* 259.0654@1.926977 1 1 1 1 1 1 2794 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 2898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2267 1 1 1 1 1 3502 2497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.0654 *259.0744* 259.0744@2.0494266 1 1074 1220 1336 1 1 1 1 1289 1 2052 1533 1 1 1031 1041 1 1 1 1 1 1 1 1 1 1365 1194 1503 1 1 1024 1208 1 1 1 1 1 1 1390 1 1 1 1 1 1273 1473 1 1 1 1 1 1 1 1 1044 1 1375 1324 1 1 3589 3234 1 1 1 1660 3506 2784 1 2399 3951 4390 1 1 1921 1 2069 2128 1 1 1791 1595 1 1 2107 1930 1419 1523 1 1 259.0744 *259.094* 259.094@1.4366875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14378 13622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.094 *259.1002* 259.1002@1.574 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1 1 1 1 1 259.1002 *259.1012* 259.1012@1.6111019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3399 1420 1 1 1 1 1 1 1 1 1 1 259.1012 *259.1116* 259.1116@1.81 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 259.1116 *259.1174* 259.1174@4.04268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1174 *259.1417* 259.1417@7.1801553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2741 2821 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 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 1699 1810 1 1 259.1417 *259.15* 259.15@1.0596133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 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 1 259.15 *259.1639* 259.1639@1.2076185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2150 1 1 1 1 1 1 1 1 1 1 259.1639 *259.1702* 259.1702@1.1479053 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 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 2022 1 1 259.1702 *259.1749* 259.1749@1.4466794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 259.1749 *259.1762* 259.1762@1.5231299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2827 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1762 *259.1763* 259.1763@1.8008147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1763 *259.1781* 259.1781@1.2906969 1 1 1 1 1 1 1 1 1 1 1390 1 1 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 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 23275 18430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1781 *259.1782* L-Glutamic acid dibutyl ester 1529 1642 13482 12961 2017 2138 3199 2697 1 1 6009 6377 4169 4332 2791 3246 2568 2778 6411 6472 3287 3148 1573 1354 1 1 2957 3064 1240 1170 4524 4233 3495 3271 1415 1 1904 1972 6502 7122 1338 1350 2910 2967 3818 3527 1826 2406 1421 1785 3456 3372 3484 3224 1475 1307 1168 1 1 1 8589 9315 2459 2046 5330 5609 7367 7262 14664 13800 1455 1596 2667 2703 3274 2815 2480 2843 2683 2843 2315 2510 3915 4261 1206 1150 3415 3345 1 1 259.1782 *259.1829* 259.1829@1.2128773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1829 *259.1915* 259.1915@9.550149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1915 *259.1948* 259.1948@4.304444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77091 77436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1948 *259.1957* 259.1957@1.2145199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 259.1957 *259.2049* 259.2049@1.2147362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1415 1 1 1 1 1 1 259.2049 *259.2108* 259.2108@1.20861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2655 1 1 1 1 1 1 1718 1436 259.2108 *259.2512* 259.2512@4.302361 1 1 1 1 1 1 6946 6661 9248 9522 1 1 34156 34717 28577 29089 1 1 104051 106047 1 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1 17448 17494 48750 49471 60413 60174 2552 3152 1 1 1 1 3577 4183 1 1 1 1 1 1 1 1 52679 52135 1 1 1 1 1 1 1 1 3350 3577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8291 8269 1 1 259.2512 *260.0034* 260.0034@2.8021157 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1539 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 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 1 260.0034 *260.0038* C7 H8 N4 O3 S2 3201 3030 3346 3306 5090 4682 4482 4247 2518 4037 4670 4474 3596 3515 3871 3681 4648 4656 2408 3450 3483 3418 3580 3550 3367 5652 3972 4190 4493 4273 3368 4424 1 2919 4584 4437 4464 4439 2823 2755 3846 2985 4647 4159 3931 3606 5500 2671 2825 2669 1 1 1 1 1 1 2614 2622 2864 2737 1 1 3069 2763 1 1 1 1 4395 3818 1 1 4716 4815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0038 *260.0054* C5 H10 Cl2 N4 O4 1406 2809 1 1 1653 1 3338 3177 5257 5305 1 1565 3032 3033 4500 4416 1470 2949 3340 3413 1 1 3495 2906 2474 2742 2975 1233 2094 2051 4482 4417 1 1 2570 2712 3239 3129 3328 3657 9225 3480 1 1 1 1 4208 1 1 1 1 2577 1736 5101 1 1 1 1 2033 1137 1 1 1 1 1987 1 2133 2730 3765 3883 1897 1 3768 3151 2704 3264 3682 3405 1 1 2821 1692 1 1 1 1155 1 1 2731 2996 260.0054 *260.0055* 260.0055@1.4385024 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 3374 1 1 1 1 1 1 1 1 1 1 3278 1 1 1 1 1 1 1100 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 1 260.0055 *260.0917* Furafylline 1 1 1 1 7499 6368 1 1 1 1 1 1 1 1 1 1 7776 7295 1 2429 1 1 4822 3712 1 1 1 1 1 1 1 1 5257 5881 13060 13119 5411 3484 1 1 1 4704 7323 4563 1 1 1 1 1 1 26991 25508 9144 13176 35053 34603 1 1 23899 24834 10198 5909 1 1 10738 11806 7612 8899 1 1 14638 13102 1 6385 10470 7361 6217 5297 19409 19326 28555 27964 5196 7067 13196 12806 9464 22845 8546 8322 260.0917 *260.0918* 260.0918@3.0368688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12827 1 1 1 260.0918 *260.0924* 260.0924@2.3656347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.0924 *260.0927* 260.0927@2.3974588 1 1 1 1 1 1 1 1 1 1 1 6948 1 1 1 1 1 1 1 9308 1 2332 1 1 1 1 1 1 1 5260 1 1 1 1 1 1 1 1 1 1 1 1 13563 1 1 1 1 1 1 1 1 1 4306 1 1 1 1 1 1 1 1 1 1 1 1 1 13255 1 1 1 4114 1 14712 1 1 1 1 1 1 1 10842 1 1 1 1 1 1 1 1 5693 260.0927 *260.0941* C11 H17 Cl N2 O3 14126 16033 11176 10219 34535 34002 10994 11448 5640 6069 12157 4039 13800 15294 7034 7129 24204 27079 13218 5235 10645 7237 18599 18790 13684 13542 1 3343 11073 5827 8001 9472 24658 23549 41919 41285 29509 30877 9740 9512 13389 12981 2949 26687 1 1 8690 5065 6277 6213 18206 17783 9727 11779 70311 68329 7230 7296 59828 61038 10517 10674 1 1 17590 21133 5021 16426 6904 7001 2301 5875 3619 17154 17962 18155 1 1 10397 10500 3500 13337 2414 1 5383 4690 11512 2812 12056 4943 260.0941 *260.0974* 260.0974@3.0666573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 2338 2467 1 1 1 1 1 1 1 1 1 1 2365 1 2555 1 4517 1 1 1 1 1 1 2181 1 1 1 1 1851 1 1 1 2768 2794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5831 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 260.0974 *260.1026* 260.1026@3.0587673 1 1 2217 1 1 1 1 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1026 *260.1078* monodesmethyl chlorpheniramine 5209 4145 4365 4448 2934 2931 4832 4939 4209 4929 3928 2603 5982 7338 3456 4016 3250 3599 4162 3712 3560 3432 4529 3252 2835 3775 4745 4761 3151 3048 3532 3477 3377 3566 4122 5303 4409 3678 3091 3375 1569 2128 5809 4876 3811 3128 3660 1 2038 2527 1 2463 1 3128 3715 1 4824 4280 2519 3358 2747 2775 2666 2533 3588 3581 2316 4128 1 1 1 1 3355 4713 5623 6402 2614 2643 3955 4026 3653 3677 2660 2282 5083 6441 4000 3581 3443 4029 260.1078 *260.1112* 260.1112@1.1090689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3842 1 1 1 1 1 1 1 2501 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 1 260.1112 *260.1119* monodesmethyl chlorpheniramine + 1.789466 3914 1 1 1 3233 1 1 2323 3111 3302 2616 3352 1 1 2195 2416 5378 5373 2192 2616 3504 3468 1 1 3159 2797 2171 3067 3032 3073 3052 2814 1 1 1 1 1 1 1 2662 2861 2451 1 2718 3306 3152 1 1 2615 2743 1 1 1 1 1 1 3046 2676 2121 3226 2964 1 1 1 2567 2627 4430 2272 1 1 1 1 1 1 2211 1 2739 1443 13221 12944 3059 1 1319 1 1 1 2567 3543 1 1 260.1119 *260.1162* 260.1162@1.8124315 1 1 3120 1 1 1 1 1 1 1 1 1 2003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 3329 1 1412 1 1 1 1 3633 3427 1 1098 1 1 1 1 1 1 4050 1 1 1 1 1 2765 1 1 1 1 1 260.1162 *260.1216* C19 H16 O 4354 4786 4212 4871 4971 4140 4266 3813 4225 3678 4906 3154 1893 2657 3797 3445 3412 3666 1 2984 3562 3473 2913 3193 3139 3734 1 3835 2657 1 5438 1 5155 3925 2791 4486 4121 3636 3903 4722 4038 3865 3894 3651 4475 3524 1 4385 3405 3593 2687 2839 4055 3465 3705 4146 3812 4783 3543 4073 3279 1445 3913 3435 1 2968 3382 3720 3175 3565 2978 6851 1 3300 4020 3608 2578 2701 1 1 1 1 2840 2857 1 4881 2723 3109 2892 2504 260.1216 *260.1221* 260.1221@1.6321827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4850 1 1 1 1 1 1 1 1 1 1 1 260.1221 *260.1229* 260.1229@2.2101176 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 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 1 260.1229 *260.1231* 260.1231@1.9685333 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1231 *260.1232* 260.1232@2.160427 1 1 1 1 1 1 1 1 1 1 1 5931 1 1 1 5050 1 1 1 1 3182 1 1 1 1 1 1 1 8677 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3159 1 1 1 1 1 1 1870 1 4594 1 1 1 1 1 1 4951 1 1 12282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1688 1 1 1 260.1232 *260.1247* C9 H12 N10 2255 2243 1335 1870 2360 1833 1744 4106 1814 3359 1 1406 1 1 1864 1400 1 4323 1 4045 2514 4089 1489 2075 1 1990 1655 1696 2251 1802 1 1876 2122 1949 1 2183 1 2161 3961 2039 1 1676 1 1762 1321 1 1 2119 1659 1983 1930 2042 1509 1816 1625 1815 2005 1999 1 1 1670 1431 1216 1 2148 1 1804 1732 2079 1246 1805 1 3121 1596 1037 1698 1404 1775 1685 1277 1805 1474 1556 1947 1347 1646 1657 1 1671 2265 260.1247 *260.1253* 260.1253@1.2142543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1253 *260.1257* 260.1257@5.4734206 1 1 2801 1969 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1695 1 1 1 1 1 1693 2452 1412 1 1 1580 1 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 1738 1 2125 1 1 2053 1 2096 1980 1 1 1 1 1245 1 1 1 1293 1 1821 1 1 1 1 1 1 1 1900 1 2322 1 1556 1 1910 1642 1 1 1458 1 1 1 1 1 260.1257 *260.1346* 260.1346@1.0760754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1346 *260.1388* (9R,13R)-1a,1b-dihomo-jasmonic acid 2280 1821 2668 2997 2026 2345 2979 1857 2277 1 3155 1870 2737 2251 2176 3146 1 1789 1596 1 2185 1695 1946 2106 2192 1781 3023 1977 1715 2768 1 1800 1565 1934 1778 1647 2527 1860 1 1 1532 1766 2202 2062 1897 1737 2568 2230 1 1 1 1507 3063 1 1 1 1632 1608 1623 1845 1 1 1 1 1919 2311 1 1 1 1941 1 1 1 1 1 2019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1388 *260.168* 260.168@9.505439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.168 *260.1699* 260.1699@9.436114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1256 1 3127 1 1 1 3022 1 1 1 1 1 1 1 1 3326 1 1 1 1116 1 1682 1 1 1 4940 6358 1 1822 4615 1 8403 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 2412 4219 1 1 1 2716 2548 3375 1 1 1 1 1 1 260.1699 *260.1717* carisoprodol 5336 4698 4972 5331 5420 6132 5558 4904 5352 5398 5318 4934 5671 5765 4348 4760 4620 4741 5238 6267 5113 5033 5267 5523 5231 4848 1 5213 3835 5629 1561 6205 5193 5908 3076 5031 5724 4859 5610 5354 5427 5403 5601 3519 11333 12073 11428 12386 11469 11793 12513 14406 10661 8723 5881 11521 10848 8567 11953 3410 7444 1 6970 7534 7374 4242 7175 7549 7955 6580 7101 7053 6656 7090 6248 7623 5619 2361 7497 4823 6558 4629 3567 3620 7074 7625 7240 7256 7279 2786 260.1717 *260.1884* 260.1884@4.382663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5291 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.1884 *260.2016* 260.2016@1.1603914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1747 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 1 1 1 1 1 1 1 1 1 1 1019 1 1 260.2016 *260.2154* 260.2154@1.1486758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 2453 1 1 1 1 1 1 260.2154 *260.2191* 260.2191@1.1186757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 260.2191 *260.2253* 260.2253@1.1060324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2609 3974 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 5051 2511 1 1 1 1 1 1 1 1 1 1 1 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 1 260.2253 *260.2313* C14 H32 N2 S 2221 2734 2306 1802 2846 2693 1830 3216 2664 2324 1568 1142 3675 3016 3094 2892 1 1156 2495 2613 2718 3107 1 1 1272 2363 1494 2634 2164 3651 2126 1701 2763 1 2140 2766 2772 1217 1748 2901 2018 1 2616 2455 2562 1330 2127 2290 1 2174 1 1 1 1 2702 2090 2599 1 2326 2035 2604 1 2515 1 2382 2533 2282 1 1 1155 1 1 1 1216 1086 2331 1 1566 1 1043 1921 3402 3204 2763 1 1533 1760 1658 1 1756 260.2313 *261.0299* 261.0299@0.8789406 1 1 1 1 1 1 2574 1 1 1 1 1 1566 1896 1 1 2870 3251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5538 1 1 1 1 1 1 1 1 2238 1955 1 1 1 1 1 1 1 1 1 1 4809 5349 261.0299 *261.0955* 261.0955@2.4166315 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 1285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.0955 *261.1061* 261.1061@1.212069 1 1 1 1 1 4382 2161 1804 1 1 1 1 1 1 1 1 1 1 1 1 1493 1699 1 1 1 1 1 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 1670 1 1372 1 1 1 2589 1 1 1 2660 3642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1086 1 1 1 1 261.1061 *261.1077* 261.1077@1.2114223 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1213 1 1 261.1077 *261.1215* 261.1215@2.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 261.1215 *261.1215* 261.1215@7.713307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2880 1 1 1 1 1858 1601 1 1 2005 1649 1 1 1673 1925 1 1181 1139 1371 261.1215 *261.1244* 261.1244@2.0745199 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 261.1244 *261.1382* 261.1382@1.140451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 261.1382 *261.1516* 261.1516@4.3513536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6633 7278 261.1516 *261.157* 261.157@1.1570249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.157 *261.1571* Pinacidil-N-Oxide 1384 1406 1818 2136 2370 2757 3027 3048 1368 1482 1 2526 1242 1 1391 1264 1064 1225 1886 1938 1283 1 1525 1526 1103 1128 1885 2043 1 1446 1109 1259 1836 1570 1150 1 1542 1490 1269 1529 1782 1490 1853 1809 1436 1572 1491 1618 1384 1274 1430 1054 1992 1815 1986 1857 1474 1437 1206 1176 2817 2754 1367 1438 1861 1951 1807 2163 1230 1449 2275 2349 2192 1884 1616 1700 2707 2347 1718 1922 1426 2100 4054 3003 1817 1884 3798 4471 1824 1630 261.1571 *261.165* 261.165@1.193462 1 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 261.165 *261.17* 261.17@1.1880163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3730 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.17 *261.1832* 261.1832@1.2079257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.1832 *261.2067* 261.2067@1.0852917 1 1 1 1 1 1 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 1 1 2275 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 261.2067 *262.0036* 262.0036@1.4406611 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0036 *262.0083* 262.0083@1.4427991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0083 *262.0352* 262.0352@1.7601166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0352 *262.0663* 262.0663@3.0593245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4313 1 1 1 1 1 1 7550 1 1 1 262.0663 *262.0663* 262.0663@3.353006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0663 *262.0671* 262.0671@3.1783419 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7603 1 1 1 1 1 1 1 1 3846 1 1 1 1 4051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5483 1 1 11985 1 1541 1058 1967 1 1 1 1 2939 1 1 3260 1 1 1 7869 6125 26497 20241 1 1 1 1166 1 7105 18087 1 1 3922 262.0671 *262.0672* 262.0672@3.0820668 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 2674 1 1 1 1 1 1 1 16283 1 1 1 1 1 9374 1962 6532 4207 5993 9550 1 1 1 8024 1 1458 1 262.0672 *262.0676* 262.0676@3.7940938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1589 1 1 1 1 1 1 1 1 1126 2421 1 1 1 1 1 1 1 1 1 4354 1 1 1 1 1 1 1 1 1041 1520 1724 1 1 3764 1 1549 1 1379 262.0676 *262.0679* 262.0679@2.0962887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 3828 3782 1 1 1 1 262.0679 *262.0684* 262.0684@3.3857243 1 1 2530 1832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1840 1 1 1 1 1 1 1 1 1 1 1 2827 3719 1 1 2273 4797 1 4707 1 1 2745 1 1 1 3160 3077 1 1 5323 4641 5248 4819 1 1 1 1 1 1 9126 1 5114 3286 4387 1 2262 1 1 1 1 1 1 1 3158 1 4523 6773 6067 10818 10463 11207 7044 5119 12785 12163 1 1 8256 7753 262.0684 *262.0684* 262.0684@13.326935 1 1 1 1 1090 1 1 1 1 1 1589 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 1078 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 1519 262.0684 *262.0693* 262.0693@12.965064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 262.0693 *262.0751* 262.0751@3.3749783 1 1 1 1 1 1882 1 1 1 1 1 1 1 1 1 1 1 1 3892 1 1 1 1 1 1 3066 1 1 1 1 1 1 1 1 1549 3913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0751 *262.085* 262.085@2.2627516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 262.085 *262.0852* 262.0852@1.1597173 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.0852 *262.0862* 262.0862@2.3536866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 262.0862 *262.091* 262.091@3.3771336 1 1 1 1 1 1 4776 4338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 262.091 *262.1015* 262.1015@3.375154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9766 9787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40903 42126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1015 *262.107* 262.107@2.119853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 262.107 *262.1138* 262.1138@1.0609653 1 1 1 1 1519 1 1 1 1 1 1 1496 1 1 1 1 1 1489 1 1 1 1 1 1 1 1 1 1440 2379 1 2666 1 1553 1 1 1 1 1 1 1 1453 1 1 1 2242 1082 1 1 1 1818 1663 1 1 1 1 1 1985 3118 1 1 1659 1 1721 1248 1 1 1722 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1234 262.1138 *262.1175* 262.1175@1.0633425 1 1 1 1 3108 2829 1 1 2085 2165 1 1 1716 1 1906 2061 1 1 1 1911 2182 1 1682 1434 1293 1 1250 1 1 1908 1 3717 1 1907 2311 1 1 1 1 1 1 1 1 1713 1 1 1 1 1846 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 3242 1 1 1 1142 1 1 1 1 1 1 1 2797 1650 1 1 1 1 2178 1 1 1 1 1355 1639 1 262.1175 *262.1217* 262.1217@1.0472552 1 1 1 1 2150 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 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 1 262.1217 *262.1385* 262.1385@6.9528403 1 1 1 1 1 1 1 1 1 1 1584 1766 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 2414 2311 1 1 2001 1853 1 1 1 1 1 1 3378 1 1 1 1 1601 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 1 1 1 1 4886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.1385 *262.1408* 262.1408@1.1998888 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2233 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 1 262.1408 *262.1502* 262.1502@1.2076308 1 1 3479 2924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 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 1 262.1502 *262.1988* 262.1988@1.1499314 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 262.1988 *262.2082* 262.2082@1.1557662 1 1 1 1 1 1 1117 1 1209 1 1 1 1 1201 1168 1 1 1 1 1 1 1 1 1 1925 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 3163 2714 1494 1 1 1 1 1 1 1 1 1 1 1050 1 1 1056 1 1 1 1 1 1 1 1 1 2356 2373 1 1 1 1508 1 1 1 1 1 1 1 1058 1 1 262.2082 *262.2121* 262.2121@1.1595349 1 1714 2410 2701 3340 1 1 1 1 1 1 1 1 1 1 1342 2862 2573 1390 1 2842 2732 1021 1 1 1 1 1 1 1 1 1 1653 1 1 1 1 1 3018 1 1 1 2489 1109 1 1811 3418 1 1 1 1 1062 5491 1262 1432 1422 1 4253 1 1 2595 1 1 1 1 3862 1082 1 1 1298 1 1 2568 2545 1 1 3427 2074 1 1 1 1 1 1091 3378 3541 1246 1184 1 1 262.2121 *262.2122* 262.2122@1.2083236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.2122 *262.2209* 262.2209@1.1861925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 262.2209 *263.0646* 263.0646@2.0964081 1 1 1841 1873 1 1 1 1 1 1 1662 1835 1 1 1 1418 2698 2572 3061 3046 1 1 1 1 3803 3573 2192 2477 1 1 1 1 1 1 3204 3107 1732 1692 1 1 7008 7049 1 1 1 1 2161 1714 1 1 1 1 4700 4746 2779 2834 12877 13106 1 1 1 1 1 1 2745 2958 3403 4030 1 1215 1 1 8012 8398 1929 1996 1 1 1 1 2357 2437 1 1 11214 11376 3331 3278 1 1283 263.0646 *263.0705* 263.0705@3.1084013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 2031 1 1 1 263.0705 *263.0715* 263.0715@3.143118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 263.0715 *263.1048* 263.1048@2.0714428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 16229 1 1 1 1 1 1 1 1 1 1 263.1048 *263.1178* 263.1178@7.4380617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2043 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 1 263.1178 *263.1424* 263.1424@1.2079625 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1424 *263.1507* 263.1507@1.2071326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1064 1 1 1 1 1 1 1 1 1 1 263.1507 *263.1567* 263.1567@1.2158188 1 1 1050 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 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 1 263.1567 *263.1641* 263.1641@1.2016882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2810 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1227 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1641 *263.1681* 263.1681@4.08576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54724 55062 263.1681 *263.1722* 263.1722@1.1360062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1 1 1 1 1 1 1355 2099 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1646 1 1965 1218 1 1071 1 1 1 1 1 1 1 1 1 2401 2614 1 1244 1 1514 1 2182 1 1 1 1 1 1 263.1722 *263.1724* 263.1724@1.1900789 1 1 1 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 1944 2356 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 1733 1 1 1 1 1 1 1 1 1 1 1 1 1600 2243 1798 1595 1 1 1 1 2030 1 1 263.1724 *263.1778* 263.1778@1.187646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1778 *263.1839* 263.1839@1.1802341 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1138 1 1 2598 1 1 1 1 1 1 1 1 1 1 1290 1 1 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 1 263.1839 *263.1891* 263.1891@4.3054447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683297 685704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1891 *263.1897* 263.1897@4.4529476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767196 775164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.1897 *263.245* 263.245@1.106478 1 1 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 2091 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2043 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2269 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.245 *263.86* 263.86@4.2962546 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 263.86 *264.0749* 264.0749@1.5136287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15542 14210 1 1 1 1 1 1 1 1 1 1 264.0749 *264.0769* 264.0769@1.3651204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5819 1 1 1 1 1 1 1 1 3479 1 264.0769 *264.0839* 264.0839@1.2600667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1168 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 1 264.0839 *264.0854* 264.0854@1.2804446 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0854 *264.1021* 264.1021@2.0719428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62374 63444 1 1 1 1 1 1 1 1 1 1 264.1021 *264.1023* 264.1023@1.4877415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 264.1023 *264.1053* Gly Gly Asp 2636 2519 1 1742 2601 2289 2227 2126 9407 9379 1721 1614 2099 1797 3408 2920 1295 1533 1864 1896 1 1 1618 1464 1 1 1 1935 1 1 1249 1174 2982 3430 1999 2009 1119 1 9669 10435 1415 1300 1 1261 5429 6108 1306 1403 1376 1238 1 1 1057 1 1597 1476 1656 1 1 1232 1572 1459 1 1 1797 1625 1955 1959 1 1 3153 3245 1 1354 1 1 1 1 1 1 1794 1859 4168 3724 4778 4658 1 1 2276 2450 264.1053 *264.1071* 264.1071@2.098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 264.1071 *264.1082* 264.1082@1.4566008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1471 1 1 1 1 1 1 1 1 1 2255 1 1 1 1 1 1 1 1 1 1 264.1082 *264.1122* N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 1 1 2278 2785 4499 4431 9148 7942 1 1 8498 7578 2430 2722 2114 1624 8592 9297 5061 4610 2252 2226 1 1 2103 2130 3487 3360 1 1 6304 5606 4123 4374 3241 3565 1576 1832 2522 2423 1 1655 2586 2399 1 1 2459 2840 1377 1639 1485 1748 1108 1073 2883 3120 2377 2506 1648 1400 5848 6263 1 1 7132 6663 6881 6459 3448 3676 1803 1579 2558 2308 2902 3247 1 1 1895 1673 3419 3257 1 1 3339 2437 12794 13737 2030 1994 264.1122 *264.1128* 264.1128@2.1561644 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1128 *264.1142* 264.1142@1.4547333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1142 *264.1189* 264.1189@1.4345646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1189 *264.1221* 264.1221@2.034419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1203 1 1 1 1 1 1 1 1 1 1 264.1221 *264.1416* 264.1416@1.1766659 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 1 1 1 1 1 1118 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 2117 1 1 1 1 1747 1 1 1 2756 1998 1 1 1 1 2730 1 1 1 1 1 264.1416 *264.1505* 264.1505@1.1657339 1 1 1 1383 1 1 1 1 1 1 1 1 1021 1 1 1 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1243 2018 1 1624 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 3006 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 264.1505 *264.1621* 264.1621@1.1371641 1 1 1 1 1 1115 1 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 1 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1760 1 1 1 2358 1 1 1 1 1 1 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 1 264.1621 *264.163* 264.163@7.2865086 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 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.163 *264.1647* 264.1647@1.1224065 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 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1506 1 1 1 1 1 1 1 1 1 1 3170 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1550 1 1 1 1440 1 1530 1 1 1 1 2117 1 1 1 1 1 1 1 1 2246 264.1647 *264.1695* 264.1695@6.5828204 1 1 3136 1 1 1 1 1 1 1 11941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 7055 1 1 1 3849 1 1 1 1 1 1 2567 1407 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 1 1 1 1 1 13762 1 1 1 1 1322 3453 1 1 1 1 1 15739 1 1 1 7239 1 1 12197 1 1 1 3569 1 1 1 12565 1 1 264.1695 *264.17* 264.17@6.6180964 1 1 1 1 1 1 1 1 1 1 5599 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 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14694 1 1 1 1 1 1 3277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.17 *264.1701* 264.1701@6.748622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1701 *264.1705* 264.1705@1.1546909 1 1 1 1 1 1 1 1 1 1 1 4436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5131 1 1059 1 1 1 1 1 1 1 1 3801 1 1 1 1 1 1164 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 1654 1 1 1 1 2428 1 1 2736 1 1 1 1 1651 2166 1 264.1705 *264.1763* 264.1763@1.0620748 1 1 1 1 1 1 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 1175 1 1564 1 1136 1 1 1 1405 1 1 1 1 1 1 1 1 1142 1379 4425 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 3972 2582 1 1 1 1 1 1 1 1 1 1 264.1763 *264.1803* 264.1803@3.4188077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1803 *264.1829* 264.1829@1.0850295 1247 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 11053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1649 1 1 1613 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 1 264.1829 *264.1946* 264.1946@4.109688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1946 *264.1953* 264.1953@1.059573 1 1055 1 1 1 1 1 1715 1 1408 1 1 1 1 1 1078 1 1 1 1 1 1 1 2217 1664 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.1953 *264.2007* 264.2007@1.060589 1 1 1 1 1 1 1 1 1 1 1 1 1 2782 1 1 1 1 1812 2204 1 1 1 1 1 1 1 3425 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.2007 *264.2439* 264.2439@1.113815 1 1 1 1 1 1 1 1 1 1 1188 1 1245 1 1097 1 1 1 1 1 1 1 1631 1 1 1 1 1 1294 1290 1218 1 1 5607 1 1 1 1 1 1611 1125 1 1 1 1 1966 1 1 1 1 1 1 1 1 2268 1208 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1368 1 1 1 1 1 1 1 1 1 1 1 1 1 264.2439 *265.0292* 265.0292@2.32354 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.0292 *265.0299* C6 H11 N5 O3 S2 3623 3530 4144 2291 1 4311 1910 4172 1 1406 1 1719 1 1 1 1 1 1 1 1 5048 5178 1 2491 4181 2973 1418 1151 2330 1 3983 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4459 1 1 1 1 1 1 1 1 1 1 1 1 1 3649 1 2019 1 1 3000 1 1 1 1 1 3579 3953 1 3780 1887 3842 3079 3560 1 1 4332 1 2516 1 265.0299 *265.0319* 265.0319@2.3928862 1 1 1 1 1 1 1921 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1749 1717 1 1 1 1 1528 1 265.0319 *265.068* 265.068@3.9489293 1 1 2965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3821 3639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4293 4326 1 1 1 1 1 1 1 3623 1 1 1 1 1 1 1 1 1 4375 1 1 1 4806 1 1 1 1 1 1 1 1 1 1 1 1 4571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.068 *265.1026* 265.1026@1.4873525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3657 1 1 1 1 1 1 1 1 3034 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 1 1 1 1 1 1 1 1 1 2445 3585 1 1 265.1026 *265.1074* 265.1074@1.5807805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1074 *265.1133* 265.1133@2.0658906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2913 1 1 1 1 1 1 1 1 1 1 1 265.1133 *265.116* 265.116@1.9254935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2381 1 1 1 1 1 1 1 1 1 1 265.116 *265.1255* 265.1255@1.5615308 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1255 *265.1362* 265.1362@1.3406494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 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 5223 5333 1 1 1 1 265.1362 *265.1406* 265.1406@6.517404 1 1 1 1 1816 2343 1 1 1 1 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 2742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3191 2927 1 1 1 1 1 1 1 1505 1 1429 2404 2595 2583 2667 1 1 1 1 1 1 2441 2799 1 1 1 1 1 1 1 1 5772 5901 3900 3942 1 1 265.1406 *265.1443* 265.1443@6.5168047 1 1 1 1 1 1 1668 1199 1 1 1130 1 1 1075 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1053 1 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1443 *265.1446* 265.1446@1.1509889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1446 *265.1497* 265.1497@6.512079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1497 *265.157* 265.157@1.2971703 1 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3616 1 1 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 2404 1 1 1 1 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 265.157 *265.1581* 265.1581@4.367839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40082 38587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66844 66826 1 1 1 1 265.1581 *265.1642* 265.1642@1.2593019 1 1 1 31494 1587 3818 1052 1 1370 1 1 1 5426 1510 3451 1 1872 32245 1 1 1 1 1 4473 2887 1130 1 1 2044 1 1 1 1 1 1 1 1 1 1 3638 1 1 1193 1 1 1 1 2375 2689 1 1 1 3935 1 1 1 1 1 1 1 1332 1 1 4796 1 1 1 1 1 1 1 1 1 1 1 1 4114 1 1 1314 1 1 1 1 1 1363 1 1 30129 1 265.1642 *265.1645* 265.1645@1.3295741 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1645 *265.1732* 265.1732@1.1307583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2413 1 1 1 1 1 1 1 265.1732 *265.1888* 265.1888@1.1279202 1 1 2177 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1888 *265.1948* 265.1948@1.1289549 1 1 1 1 1 1 1 1 1 1 1507 1 1 1 1 1 1 1 1 1 1 1 1 1 2912 2306 2192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1948 *265.2073* 265.2073@1.1244589 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 1059 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 1 265.2073 *265.2153* 265.2153@1.1209207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 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 1028 1 1 1 1 1 1 1 1 1 1 265.2153 *265.2216* 265.2216@1.1197542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 265.2216 *265.2756* 265.2756@1.9083076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1365 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1538 1531 1392 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1919 1817 1 1 265.2756 *266.0019* 266.0019@3.545145 1 1 1215 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1326 1 1 1 1 1 1 1 1 1 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 1 266.0019 *266.0272* resorcinol sulfoxide 14861 14884 6346 11819 1 8953 21795 1 1 12103 13283 4277 14698 14889 10322 11023 2306 15009 1 9598 1 6705 15716 1 1 20019 24255 18943 10467 9375 12814 3330 6424 5842 5157 12227 11622 11183 1 10852 12634 13426 1 4199 2094 5288 11159 11639 8645 12180 6874 17677 11187 4986 9441 7353 7887 1 10606 11045 11309 17613 10278 1 1 1 12504 3453 3638 11916 14488 13237 1 2578 13396 13625 9859 16611 16067 4253 11598 9916 22444 15848 13553 7468 16597 17960 11050 8132 266.0272 *266.0274* 266.0274@2.0864363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2251 1 1 1 1 1 1 1 1 1 1 266.0274 *266.0274* 266.0274@2.409427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 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 1 266.0274 *266.0275* 266.0275@2.3365114 1 1 5795 2264 1 9392 1 1 1 1 1 1 1 1 1 1 3320 1 1 1 1 5225 1 1 1 1 1 1 5704 5020 1 1 4125 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 4475 1 1 1 1 1 3458 1189 1 1 1 1 1 1 1 1 1 1 1 1 4145 1 1 1 1 5109 1 1 8010 4587 1 1 6743 1 1 1 1 8820 1 1 7671 7389 266.0275 *266.049* 266.049@2.2023025 1 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 266.049 *266.0513* 266.0513@2.1798635 1 3310 1 1 1 1 4626 1 2113 1 9557 1 1 1 1 1 1 4859 1 1 1 8041 1 1 1 1 1 1 1 1 1 1 1 31689 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 2913 1 6808 1 1 1 1 1 1 1 1025 1 1 1 1973 1 1 1 1 1 8586 1 1 1 1 1 1 1 1 1 1 266.0513 *266.0516* C6 H10 N4 O8 30517 30492 32650 28057 27677 26458 27978 25755 48043 50359 35825 36905 36796 36748 53547 54662 25707 26214 32603 32771 21745 1 35870 36476 28201 28733 45248 43810 26252 25905 62730 60587 40042 38459 37235 33068 35232 35716 33363 37915 52667 52412 1 1 37612 33551 41190 38223 24090 24956 47480 1 34861 31471 30921 30673 44696 46432 11086 11690 45416 45522 45892 43869 34140 34692 43061 1 46701 52281 42406 43712 64914 1 63645 53324 55107 55678 59786 55895 34701 36820 49155 46781 1 1 1 1 38444 32376 266.0516 *266.0865* 266.0865@3.9537935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1952 1 1 1 1 1 1 1 1 1 1 266.0865 *266.0959* 266.0959@3.944468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 266.0959 *266.1145* 266.1145@1.4706767 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1248 1 1 1 3705 1 1 1 1 266.1145 *266.1158* Nevirapine 2374 2382 1 1 1 7077 3441 3677 1 1 1 1 1 4131 2161 1 1 1 3132 2409 1175 1 1 1 1 1 3685 2666 1 1 1 1 1 1 1 1956 1292 1734 2566 1 3462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 2064 1 1 1 1 2689 2986 5756 4307 2874 3435 3821 3418 1279 1 3324 3658 3133 3132 1 2046 3172 1 1 1051 2473 1 3652 3617 1 1 266.1158 *266.121* 266.121@3.8849542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 266.121 *266.1246* 266.1246@1.4884803 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1246 *266.13* 266.13@1.422222 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.13 *266.1307* 266.1307@3.9153662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1539 1 1 1 1 1 1 1 1 1 12468 12942 1 1 1 1 1 1 1 1 1 1 1 1 266.1307 *266.1372* 266.1372@1.3064291 1 1 1 1 1 3345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8460 1 1 1 1 1 1 4445 1 4599 5250 1 1 1 1 1 1 1 1 1 1 266.1372 *266.1403* 266.1403@1.2807645 1 1 5119 2412 1 1 2215 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3221 1 1 1026 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 1109 1 1 1992 2268 1 1566 3679 1 1590 1 2103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1403 *266.1448* 266.1448@1.1809664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 266.1448 *266.1501* 266.1501@1.2351274 1 1 1 1 1 1080 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 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 1039 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 2222 1425 1 1 1 1 1 1 1 1 1 1 1222 1 1 1 1 1 266.1501 *266.1564* 266.1564@1.2258371 1 1 1 1 1574 1314 1 1 1 1 1270 6204 2025 1 1 1 1 1 1 1 1 1044 1 1 1 1 2397 2710 1 1 1 1210 1 1 1424 4047 1 1 1216 1 1230 1619 1002 1 2478 3913 1 1 1 1 1 1099 1 1 1138 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 1 1 1 1 1 1 1 1460 266.1564 *266.1637* 266.1637@4.9957943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 92831 87913 61661 65794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73427 75222 1 1 17055 16966 1 1 1 1 266.1637 *266.1643* 266.1643@5.0552106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57625 61643 57884 51940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48384 47315 1 1 13529 11556 1 1 1 1 266.1643 *266.1653* Atenolol 22299 22868 16644 17339 29198 28579 31658 32892 25271 25752 23497 23205 42160 43609 26786 26341 16052 15390 36626 36790 32840 33768 46108 45901 35740 36698 27025 28583 44089 42862 28612 27258 23878 23568 19760 18960 24611 25985 18473 20874 25731 25593 21896 21145 18438 18399 18397 19664 21514 22567 31715 31982 54777 52936 15269 15772 22713 22308 16413 17036 34554 33055 19425 20043 22313 21852 22198 23128 17956 17084 12633 12683 22739 20886 22435 22729 24584 25222 31754 29946 29725 28010 29980 29037 16304 17080 18062 17831 19631 20280 HMDB01924 C06833 266.1653 *266.1654* 266.1654@1.1270244 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 3065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 266.1654 *266.2581* 266.2581@1.0735193 3903 3652 5251 4477 9279 9583 6063 5619 6168 6230 7168 7858 4521 4279 8401 8270 1 1 5987 6067 8337 8356 5685 5151 7509 7639 3600 3299 11951 12285 5962 5224 7385 7590 1 1 4748 4730 1 1 9208 9712 6031 6241 2393 2205 2453 1903 6847 6854 12887 1 4420 7740 6645 1 1 1 1 1 2352 3986 4887 4419 6197 6250 1616 1 1 5561 8037 1 3174 3163 1 1 2651 3072 3516 3539 3541 2843 1 10527 1 1 5486 5436 3470 3903 266.2581 *266.259* 266.259@1.0733346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9064 8392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10499 9671 1 1 9943 9780 1 1 1 1 1 1 1 1 1 1 1 13446 1 1 1 6615 1 1 8221 8517 1 1 1 1 1 1 1 1 5586 1 1 8216 1 1 1 1 1 1 1 1 1 1 10523 1 1 1 1 1 1 1 266.259 *267.0976* Vidarabine 7454 7485 5612 5790 9202 9473 6724 2528 8948 9255 10324 9949 5245 5097 5579 5416 6615 6658 6620 5552 3455 3548 4595 2313 10889 11465 6421 6755 4115 4686 9861 10296 11451 10820 4845 5460 5672 4732 11523 11322 8534 9289 7965 7717 10580 10581 5381 6226 3651 3808 6885 5643 6400 6595 5827 5622 10958 10779 7331 7388 5886 5387 6037 5610 7880 8033 6808 6488 22643 23134 4247 4592 12518 11208 7447 7671 5321 4900 12253 7704 6099 6207 5179 4825 8760 8385 6746 7218 6315 6070 C07195 267.0976 *267.0977* 267.0977@2.9557605 1 1 1 1 1 1 1 4075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 267.0977 *267.1463* 267.1463@3.4246926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1463 *267.1469* 267.1469@1.3022059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1469 *267.147* 267.147@1.6743762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3256 3700 1 1 1 1 1 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 1746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 267.147 *267.1482* 267.1482@5.5901036 7300 7035 1 1 4489 4987 1 1 1 1 3460 3259 1 1 1 1 1 1 4119 4605 1 1 1 1 1 1 1 1 1 1 3080 2604 1 1 1 1 1 1 1 1 3695 1 1 1 1 1 1 1 1 1 2437 3037 8539 8970 4973 5183 1 1 1 1 2931 2919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5623 3700 1 1 10627 9851 1 1 267.1482 *267.1488* 267.1488@5.519012 24485 23714 1 1 16292 16542 1 1 1 1 13347 12810 1 1 1 1 1 1 16539 16002 1 1 1 1 1 1 1 1 1 1 9587 9710 1 1 1 1 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 8867 9923 27176 25563 16223 16566 1 1 1 1 9186 9998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13750 13876 1 1 26618 26672 1 1 267.1488 *267.1524* 267.1524@1.0858027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9811 10163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1524 *267.1773* 267.1773@1.207544 1 2347 1 1 1 1 1911 2044 1845 2504 1 1 2182 1895 2131 3239 1493 1397 1 2401 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1820 1901 1 1 2089 1 1 1 1693 1212 1582 1757 1 1 2020 2109 1 1 1 1930 1 1 1448 1 1 1 2272 2370 1 1 1 2322 1 1 1669 2059 1 1586 1748 1 3359 4001 1 1 1 1 1 1353 1 1968 1395 1 267.1773 *267.1837* 267.1837@4.195894 762338 758301 1 1 4825 4726 1 1 1 1 87658 89308 1 1 1 1 1 1 130749 130813 1 1 1 1 1 1 1 1 1 1 1328 1491 1 1 1 1 1 1 1 1 412579 416354 1 1 1 1 1 1 1 1 106249 108862 1604522 1593719 602692 598068 1 1 1 1 117041 115630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376105 1380306 1 1 282352 282417 1 1 267.1837 *267.185* 267.185@4.385127 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.185 *267.1855* 267.1855@1.2080957 1 1 4552 4952 1 1 1 1 1 1 4334 4730 1 1 1 1 1 1 2993 1 3080 1 4663 2318 1605 1 1 4945 1 1 1 1 1 1 2048 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1 1 2132 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2185 4097 1227 1 1 1 2595 1 1 1 267.1855 *267.1941* 267.1941@1.2051979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3348 1 1 1 3263 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 1 1 1 3290 2156 1 1 1 1 1 1 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.1941 *267.1944* 267.1944@1.1988883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14188 1 1 2088 1 1 1 1 1 1 1 12001 1 1 1 1 1 1 10020 7450 1 1 1 1 1 1 1 1 5131 9243 1 1 1 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 1 267.1944 *267.2058* 267.2058@1.1923895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 2098 1 1 1 1 1 1 1 1 1 1 1 4630 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 2976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4642 1 1 1 1 1 1 1 267.2058 *267.2126* 267.2126@1.1763994 1 1 1286 2100 1 1 1 1 1 1 2286 2112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1521 1998 1055 1 1 1 4128 4545 1624 1299 1 1 1 1 1 1 1 1307 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 1 267.2126 *267.3212* 267.3212@4.19444 12960 16399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5509 5742 1 1 1 1 1 1 1 1 1 1 1 1 8968 10549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 1 1 267.3212 *267.8119* 267.8119@4.1966457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 267.8119 *267.8488* 267.8488@4.195302 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.8488 *267.8771* 267.8771@4.2100267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1 1 267.8771 *267.9008* 267.9008@4.1923 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 267.9008 *268.0329* 268.0329@5.844512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1376 1 1 1 1 1 1 1 1 1 1 268.0329 *268.038* 268.038@4.216681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.038 *268.044* C8 H12 O10 3900 3781 1 3444 1 1 1 1 4338 2494 1722 1 2705 1 5403 4170 2537 2664 1 1020 1 1470 1506 1 1788 3411 1 3112 1 1 1 2749 1 1 1 1 2251 3480 1 1976 1 1 1 1 1 1 2418 1706 1617 1 1740 1488 3262 2990 3654 3520 2352 1 1549 1 2540 1 1 2144 1 3278 1 2858 1 3147 3288 5732 1 1 1 1582 2739 3392 1 1 5177 2404 1 1 1882 2241 3620 1933 1 1 268.044 *268.0494* 268.0494@2.0766692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.0494 *268.0679* 268.0679@1.7583542 2070 1 3079 1 1 1 1 2381 1 1 4273 1 1 1243 1 2670 1 1 1872 2424 1 3063 1 1 1250 1 2991 1 1 1 8557 1 1 8663 4233 1 1 6192 1 1 1 2872 2971 2875 1 1 5295 1 1 3065 1 1 1 3513 1 1 1 3842 1446 1 1 1 1 7120 1 1 1 1 5149 4932 1 1 1 1 5149 1 1 1 2704 1 1 1 3107 1 1 1 1 1 1 1 268.0679 *268.0809* Allopurinol-1-ribonucleoside 227346 219629 45319 43942 39189 87813 39050 97754 108631 57023 102026 97928 83100 79618 37270 35060 97434 98924 88548 90799 36386 33961 43223 44289 35173 82947 77439 40384 77352 92193 35493 34955 54684 51548 111224 109166 93671 110450 217874 202150 238031 208086 110604 101121 90759 78391 102769 95011 75146 78783 277112 125016 243742 122699 181794 176307 62800 71125 73237 146670 154635 272024 52225 56681 250465 118924 108228 106916 149497 74335 219763 222479 195743 188265 270322 272517 202123 203693 230545 227118 231246 242065 197245 200586 331868 334550 275848 270348 233592 97120 268.0809 *268.083* 268.083@3.0156913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3343 1 1 1 1 1 1 1 1 1 1 1 1 1 268.083 *268.1113* 268.1113@4.746611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8723 9058 1 1 1 1 1 1 1 1 1 1 1 1 268.1113 *268.1132* 268.1132@3.9651136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8304 8535 1 1 1 1 1 1 1 1 1 1 1 1 268.1132 *268.1198* Isobutylglycine 18622 18925 10413 9957 4541 4154 32951 32221 14000 14017 8484 8043 13716 14453 78832 77909 28916 30616 95638 96489 25027 26471 24854 25677 9003 9014 20188 20811 23264 24469 2837 2886 30863 29998 1 1 47529 48124 4627 4863 38365 40166 25369 24982 1 1 28663 28155 7103 6967 12884 12717 28739 30016 19062 19978 1155 1348 25819 24139 6572 1 20749 21136 12692 1 31593 32460 1 6639 16618 17681 14058 13421 13586 13797 1 15319 1 1 17015 17787 1 2115 1 1 1 1 1 2381 HMDB01953 268.1198 *268.1242* 268.1242@1.532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 268.1242 *268.126* 268.126@1.4558171 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 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 3236 1 1885 1 1 1 1 1 1 1 1 268.126 *268.1322* 268.1322@1.9437957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 1 1 1 1 1 1 1 1 1115 268.1322 *268.134* 268.134@1.4575558 1 1 1 1 1 1 1 2466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 2233 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 1751 1 1 1 1 1 1 1 1 1 268.134 *268.1344* 268.1344@1.0868305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3610 1 1 1 1 1 1 1984 2193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1344 *268.1431* 268.1431@1.3144268 1665 1 1 2566 2504 3160 1440 2181 2472 2202 2780 1 2498 1 2621 1 1 1 1577 1803 1073 1 1267 1 1882 1 1499 1992 1 1 1 1 1 1 1 1 1 1 1 1087 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 1835 1017 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1431 *268.1461* 268.1461@1.2609509 1 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 2807 1 1 1 1 1 1 1 1859 1 1 1 1 1 1 1 1278 1 2334 1759 1 1 1 1 1 1 1 1 1 1 1 2619 1 1 1 1 1 1 1 1 1 1283 1917 1 1 1 1 1 1 1 1 1262 1 1 1 1 1536 1 1 1 1 1 1 2514 2287 1 1 1 1 1 1 1963 1 1 1 268.1461 *268.1523* 268.1523@2.817675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6184 7352 1 1 1 1 1 1 1 1 1 1 268.1523 *268.154* 268.154@1.2239752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 268.154 *268.1611* 268.1611@1.2972927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2697 1 1 1 1 1 1 1 268.1611 *268.1615* 268.1615@1.2284099 1348 1 1 1 1 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 3673 1 1 1 1 1 1 1 1381 1 1 1 1 1 1 1 1401 1 1 2188 1 1 1751 1 1 1 1 1 1 1 1 1 3451 1 1 1 1 1 1 2303 3372 1 1 1 1 1199 1 1 1 1045 2746 1 1 1 1237 1 1 268.1615 *268.1658* 268.1658@1.196997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2353 1 1 1 1 1 1 1 1 1 1 1435 1 1 6234 1 1 1 1 1 8648 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 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3378 1 1 268.1658 *268.1667* 268.1667@1.1521091 1 1 1 1 1 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2424 1 6087 4990 1 1 1 1 1 1 11267 11935 1 1 1 1 1584 1 1 1 1 3317 1 1 1 1 1 1 1 1 3316 3697 10095 8124 1 1 1 1 1 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 2478 1 4334 2839 268.1667 *268.1711* 268.1711@1.5026655 1 1 1 1 1 1 1 1 1 1 1 3074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.1711 *268.1785* 268.1785@1.1253796 1 1 1 2125 1 1 1 1 1 1 1 1733 1 1 1144 1 1 1 1 1 1 1 1 1946 1 1 1 1 1 1 1 1437 1 1 1679 1 1 1 1216 1 1 1115 1 1 1 1 1 1 1 1 1 1902 1 1 2818 1 1 1 1 1 1 1433 1 1 1 1 1296 2611 1 1 1 1 1 1 1032 1418 1 1 3384 4120 1 1 3027 2585 1 1 1 1 1 1 268.1785 *268.1801* 268.1801@1.076271 1 1 1695 1 2222 1 1 1 1285 1 1 1 1 1 1 1066 1 1 1801 1987 1 1 1 1 2038 1 1 1 1781 1 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 3145 1 1 1 1 1 1441 1 1 1708 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 1 268.1801 *268.189* 268.189@1.079101 1 1 1 1 1 1 1 1 1 1667 1453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1009 1 1 1 1 1 1 1 1 1 1 2637 1 1 1 1 1 1 1 1 1 1 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 1 268.189 *268.197* 268.197@1.0565636 1 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 1 1943 1 2467 1 1733 1 1 1 1 1 1 1 1 1423 1 1 1 1 1 1 1 1 1 2233 1 1 4076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 2128 1 1 1 1 1 1 1 1 1 268.197 *268.2026* 268.2026@1.0608984 1 1 1 1 1 1 1 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 1 268.2026 *268.2073* 268.2073@1.0430346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 268.2073 *268.2196* 268.2196@1.042799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268.2196 *268.3241* 268.3241@4.1982694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 1 1 1 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 1 268.3241 *269.0703* C16 H7 N5 1 1 1 2023 1 1840 1 1 1 1587 1 2570 2366 2043 1710 1934 1 1 1 2914 1 1 2856 2371 1 1 4058 4344 1897 2074 3200 3303 1 1 1 1 1667 1852 1 2044 1 1 1 1 1 1689 1392 1 4518 1 4130 4009 2170 1815 1813 2038 1559 1709 1 1789 1 2437 1 1 2195 2442 6205 6498 1282 1 1 1 1 1 1 1 1705 1 1 1976 3850 3246 3392 3329 4724 4144 5106 4861 3647 3361 269.0703 *269.0727* 269.0727@2.172869 1 1 1 1 1 1 2140 2059 1 1 1 1 1 1 1 1 1142 1723 1 1 3635 3446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2804 1 1 1 1 1 1 1 1 1 2676 3331 1 1 1 1 1 1 2248 1418 1 1 1 1 1 1 1 1 1 1 269.0727 *269.0812* 269.0812@2.1648853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0812 *269.0826* 269.0826@1.2886436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2188 2664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10875 11244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0826 *269.0833* 269.0833@6.6962266 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 1 1 1 1 1 1 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 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0833 *269.0842* 269.0842@5.2904086 1 1 1527 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0842 *269.0894* 269.0894@1.4609753 1 1 2642 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 3672 4280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.0894 *269.1262* 269.1262@2.3177123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 269.1262 *269.1285* 269.1285@1.9374654 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 2136 1 2275 2119 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 2456 2038 1 1 1 1770 1 1 1 1 1 1 1 1 1 1031 1348 1415 1 1 1 1 1680 1594 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 269.1285 *269.1455* 269.1455@4.1195726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8188 8753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11898 12228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1455 *269.1476* 269.1476@1.1396294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 269.1476 *269.1479* 269.1479@5.850135 1 1 1 1 1 1743 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 1 1 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1601 1 1 1 1 1 1815 1 1 1477 1 1 1 1 1 1 2514 1 1663 1 1452 1 1 1 1383 1 269.1479 *269.1629* 269.1629@1.1401227 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1629 *269.1637* 269.1637@4.9159007 1785 2621 1 1 8884 9555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 1615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1610 1 1 269.1637 *269.1731* 269.1731@1.8430437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3084 1 1 1 1 1 1 1 1 1 1 1 269.1731 *269.1731* 269.1731@1.1470581 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1731 *269.1789* 269.1789@1.747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 1 1 1 1 1 1 1 269.1789 *269.1821* 269.1821@1.6402277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3150 1 1 1 1 1 1 1 1 1 1 1863 1 1 1 1 1 1 1 1 1 2293 3067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2922 1 1 1 1 1 1 1 1 1 1 269.1821 *269.1839* 269.1839@1.6522131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.1839 *269.1936* 269.1936@1.1785921 1 1 1 1 1457 1 1 1 1 1 1 1 3020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 2053 1 1 269.1936 *269.2012* 269.2012@1.1917874 1447 1412 3330 1 1 1 1 1100 1 2521 7368 7469 1 1 1 1 1 1 1 1 1 1 1 1 3614 3050 1 7836 1 1 1 1 1 1981 3601 7338 6601 1 1 1 1 2597 1 1 14733 15066 1 1 1 1 1 1 2157 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 4173 3295 2113 1 1254 1 1 6335 1 1 1 269.2012 *269.2059* 269.2059@1.1368642 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.2059 *269.2102* 269.2102@2.191241 1 1 2497 6255 1 1 1 1 1 1 1 6179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5562 2948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.2102 *269.2105* LUPANYL ACID 1779 3003 27516 23370 3295 3124 8175 8656 3947 6419 18586 15907 4184 3834 2610 2089 3760 2598 4325 4122 1719 1 5252 4953 7575 8698 15008 17592 4836 4372 8532 8018 2690 2800 7349 6952 16460 15017 2700 2484 2797 3440 4812 4790 33330 31377 2148 1820 3303 3274 1 1 1 1 2727 2955 1461 1497 1 1 1 1 1 1 1 1 5418 3268 1578 1799 1 1 1762 1 1 1 1 1 1 1 1 1 3782 1 1 1 1 1 1 1 269.2105 *269.2293* 269.2293@1.176151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2510 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 1 1 1 1 1 1 1 1726 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.2293 *269.3071* 269.3071@2.8913226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 269.3071 *269.938* 269.938@1.0690343 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.938 *269.9703* C8 H6 N4 O S3 1 2440 1 2748 2211 3243 3783 3378 3010 2800 2661 3076 3469 3079 3435 2856 3320 1 3315 2820 3027 3481 3184 3916 3468 1 1857 3596 1 2773 2178 3526 3050 2672 3628 1 3634 3585 3539 2671 3275 3280 3675 3401 3531 2211 2792 3688 2793 1 4569 4821 4124 3406 2604 2358 4760 1115 4158 4559 5072 4905 4067 2222 3584 4947 4766 4899 3702 3713 4537 1 3663 4310 4285 4333 1 5028 4272 4404 5016 5061 5650 5148 2776 4794 1919 4664 5808 1301 269.9703 *269.9708* 269.9708@5.7033157 1 1 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 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1705 1 3086 1 1 1 269.9708 *269.9709* C9 H12 Cl2 O S2 1989 1712 2327 2624 2362 2875 1592 2593 2675 3231 1 3092 2116 3210 2188 2187 2511 2260 2247 3458 3365 3475 3411 2707 2374 2084 2825 3241 2456 1655 2247 2827 4144 3438 2487 3086 2593 3331 3383 3582 2030 2597 2542 2891 3030 3013 2270 2321 3490 3029 3430 3933 2997 3503 2621 2636 3039 3287 3564 3655 4220 3849 3702 2646 3848 3604 4414 3456 3138 3167 3706 4120 3794 3491 3181 3533 4194 4213 4060 4683 3565 3745 4166 4001 1647 3793 4404 4684 4409 4202 269.9709 *269.9713* C9 H4 Cl2 N4 O2 1 1552 1 1 1 1 1347 1 1 1 1132 1 1 1 1611 1758 1 2268 1462 1941 1 1 1 1 1 1 1082 1 1191 1297 1 1 1 2162 1 1 1132 1009 2015 1105 1629 1583 1 1 1 1 1 1 1467 1 1511 1000 1833 1162 1085 1287 1 1020 1 1 1005 1 1244 1104 1952 1 1620 1108 1074 1514 1994 2308 1776 2176 2383 1 1090 1833 2410 1103 1989 1585 1197 1 1037 2172 1875 2175 2115 4965 269.9713 *269.9728* 269.9728@5.8233657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 269.9728 *270.0601* 270.0601@2.2849395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0601 *270.0659* 270.0659@2.2272682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4451 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1550 1 1 1 1 1 1 1 1 1 1 270.0659 *270.0661* C11 H14 N2 O4 S 6105 5413 8592 8390 5192 5708 8849 9122 7065 7319 9025 10805 9097 8285 7067 7741 7418 7395 14339 15147 14704 14469 9096 9584 5430 4713 17180 16451 9318 9440 11160 11470 4272 4263 6586 7854 5879 6461 7233 7648 8966 8748 6866 6542 6865 5958 5581 5720 15891 18300 16276 15314 8179 9766 7260 8077 7138 8078 6290 6020 11386 11568 9070 7584 11058 10411 28576 26654 10138 10061 12174 13454 6124 6285 6384 6331 10958 12283 12774 12246 14845 15561 15174 13381 16935 17279 20651 21653 14913 14986 270.0661 *270.0852* Chloramphenicol alcohol 1 1 95760 95898 78474 65882 81418 81577 67779 70838 88995 90830 61909 70250 96308 80811 82083 88559 108166 108730 153918 154139 85839 80426 47629 41719 163683 149558 48312 42014 160596 153536 104250 98716 85719 74020 70369 73228 1 1 1 1 64310 63208 63196 62161 86306 81785 119007 131308 1 149237 1 123638 1 1 123129 115809 63068 1 140280 1 105535 109595 1 132317 378659 325810 92098 89850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140145 270.0852 *270.0852* 270.0852@1.4911562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5153 5849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3526 3355 1 1 1 1 1 1 3707 4208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0852 *270.0869* DALBERGIONE, 4-METHOXY-4'-HYDROXY- 1 1 3191 3062 3324 1 3214 2915 1 2546 3454 2704 1 1 1931 1961 1 1951 3870 4009 5473 5218 2029 2044 1 6466 7208 6769 1 1 2148 7632 3035 3385 1 1 3146 3544 3224 3301 1726 2072 2381 2908 1350 1 1 2043 1186 2575 1404 4170 2700 3022 1 1 3914 2519 2560 3134 3823 4764 1 3021 4608 5310 8817 7396 2381 2446 4316 4358 1 1 2561 2517 4042 4279 2504 1 1 3527 1082 1 5142 4647 4785 6032 3551 7147 270.0869 *270.0882* 270.0882@3.0528054 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 270.0882 *270.0935* 270.0935@3.0469394 1 1 1 1 1 1 1 1 1391 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 1 1 1 1 1 1 1 1 270.0935 *270.1128* 270.1128@1.3919348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1128 *270.1418* 270.1418@4.7092123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1418 *270.1532* 270.1532@1.1738425 1 1 2630 2888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 2318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 270.1532 *270.1587* 270.1587@1.7161033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 270.1587 *270.1608* 270.1608@1.2089043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1608 *270.1718* 270.1718@1.2104373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 270.1718 *270.1732* 270.1732@4.5596504 1 1 1 1 1 1 1 1 1 1 1 1 15021 14797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1732 *270.188* 270.188@1.12647 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 1 1369 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 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 1 270.188 *270.1925* 270.1925@1.0925713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.1925 *270.1971* C8 H26 N6 O4 1 2830 1 1 1 1 1 4326 1 1 1 1 1 1 1 1 1007 1 1 1 2669 1095 3085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2426 1 1561 1 2249 1 1 1 1 1 1 1 1 3376 3623 6011 6598 1 1 1 1 1 1 1 4018 1 1 1 1495 1 1082 5560 2338 1 1 1085 2068 1 1 1 1 2562 4417 3385 3096 3281 2161 1 1 2177 2548 1804 2221 270.1971 *270.2027* 270.2027@1.0720932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2027 *270.2089* 270.2089@1.068933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 270.2089 *270.2201* 270.2201@1.2569567 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 1 1 1 1 1 1 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 1111 1 1 1 1 1 1 1 1 1 1 270.2201 *270.2238* 270.2238@2.9006574 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2238 *270.2671* 270.2671@4.489707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.2671 *271.054* 271.054@2.0884573 1 1 1 1 1156 1 1 1 1 1 1728 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 3417 1 1 1713 2123 2411 2121 1279 2696 1 1 1 1 1702 1642 1962 2630 1 1 1 1 1 1 4150 2338 2300 2062 1 1 1 1 1 1 1 2145 1440 1 1 2587 2399 1763 1 1 2269 2383 2895 2829 2720 2991 1433 1 2151 1897 271.054 *271.0652* 271.0652@2.148839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.0652 *271.0886* C13 H13 N5 S 1 1 11772 13819 1 9962 11519 11914 9956 10686 12832 12518 9198 1 1 11863 12634 12753 16411 15823 1 1 1 9697 6165 6771 1 1 1 5709 1 1 15424 14055 1 10582 10777 10990 1 1 1 1 8529 9307 8484 8832 10867 11077 1 1 1 1 1 1 1 1 1 16629 1 1 1 17681 15382 16295 1 1 1 47447 13890 13674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.0886 *271.0916* 271.0916@2.8734505 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.0916 *271.0979* 271.0979@3.7054195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13526 13334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37027 35535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.0979 *271.0992* 271.0992@1.0990947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 2484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3515 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 1 271.0992 *271.1105* 271.1105@1.6536925 1 1 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 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1105 *271.1105* 271.1105@1.2278498 1 1 1 1 1 1 1 1 1 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 3971 1 1 1 1 1 1 1 5023 1 271.1105 *271.1109* 271.1109@1.2010968 1 1 1 1 1525 2248 1 1 1 1 1 1 1 2355 1 1 3696 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 3407 1 1 1 1 1 1 1 1 3193 2122 1 1 2152 6381 1 1 1 1 1 1 2218 1990 271.1109 *271.114* 271.114@2.8650973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 271.114 *271.1572* 271.1572@4.21998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2446 7811 2149 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1572 *271.1574* 271.1574@4.228527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8505 3155 2803 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 2033 2605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5031 5593 271.1574 *271.1635* 271.1635@4.290231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8252 8318 271.1635 *271.1706* 271.1706@4.270049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12843 5416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1706 *271.1752* 271.1752@3.4506335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3726 4727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1752 *271.178* 271.178@4.2663198 2102 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2662 2167 1 1 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 2868 4899 4944 2065 1965 1 1 2542 2704 3692 3765 1927 1814 2321 2007 3170 3791 2432 2370 1877 1736 1492 1 3198 3039 3031 2798 1 1 271.178 *271.1783* 271.1783@1.1288675 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 14974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8342 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1783 *271.1789* 271.1789@3.804547 1 1 1 1 1 1 1 1 1 1 1659 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1575 1 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 1 4205 4048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1789 *271.1855* 271.1855@1.048931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1754 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1855 *271.1988* 271.1988@1.058027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.1988 *271.2075* C16 H30 Cl N 1 1 1458 1 1720 1130 1951 1 1492 1094 1 1011 1793 1 1089 1 1 1 1565 1265 1 1 1547 1278 1513 1 1 2055 1668 1 1 1328 1190 1 1 1 1323 1 1 2041 1 1 1 1430 1 1347 1 1 1330 1674 2095 1948 1 3210 1 1170 1178 1143 1 1 1531 1 1244 1 1 1 1245 1801 1237 1963 1 1912 1 1441 1302 1472 1 1 2230 2150 1 1 1108 1822 1 1 1349 1389 1311 1179 271.2075 *271.2098* C11 H25 N7 O 2355 1343 1 1 1981 1 2836 2886 2365 1 1 1 1 2358 1 2369 2342 1 1 1 2194 2419 2921 3133 1 1 1661 8373 2473 1 1 1 2211 2249 1 1416 1 1 1419 3015 1 1319 1211 1 1 1 1 1 2379 2475 2373 2469 2764 2053 1621 1 1416 1801 2505 2838 1 2519 1 3004 1 2107 2434 1 1 1 1149 1 2827 2691 2323 2174 1191 1 3525 2797 3332 1030 1 1 1924 1839 3186 4220 2048 1660 271.2098 *271.2132* 271.2132@1.0853511 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.2132 *271.2133* 271.2133@1.2007638 1 1772 1 1 1 1964 1 1 1 1 8970 8599 2164 1 1 1 1 2112 2923 2992 1 1 1 1 4030 1 6395 1 1 1 1 2265 1 1 3699 4435 1 8974 2833 1 4175 1 1 3883 14262 13248 1 1 1 1 1 1 1 1 4495 4895 1 1 1 1 1 1037 2746 1 1 1 1 2231 1959 1569 1 1 1 1 1 1 1 2445 1 1 1 3130 4494 4088 1 1 1 1 1 1 271.2133 *271.2139* 271.2139@1.4878582 2070 2531 1 1 2756 2664 3904 3362 1939 2081 2323 2370 2811 2498 2039 2214 2119 1753 3481 4063 2003 1798 1 1 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 1 271.2139 *271.2187* 271.2187@1.1988373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 271.2187 *271.2258* 271.2258@1.203536 1 1 8419 4831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 271.2258 *272.0726* C13 H12 N4 O S 3842 3234 1 4474 2762 3221 5124 1 4286 3650 1 4528 4577 1118 4409 4523 4124 3361 1 1219 4209 3895 1 6640 2635 2586 4343 4462 5266 5368 3837 3914 4036 3925 4522 4151 1 2634 5629 5359 6095 5774 4025 1 4760 4727 4294 4489 5235 5587 1 1 6751 1 4811 5118 3238 3585 6841 7576 7493 2644 1 5564 4090 4002 4565 4304 5299 4932 6250 1 3200 3269 3194 3012 1 1 7508 6946 8833 1 1 6276 3007 8908 1 1 1 8199 272.0726 *272.0727* C13 H20 S3 1209 1 1690 1849 1368 1292 1546 1518 1573 1151 1966 2062 1 1 1 1 1214 1 1676 1290 1260 1177 1799 1543 1633 1720 1988 1374 1 1507 2009 1591 1461 1479 1871 1657 1798 1914 1872 2330 1692 1 2036 1740 1 1 1324 1573 1174 1 1806 1998 2159 1849 1341 1164 1 1445 2012 2177 2651 2417 1617 1558 1737 1989 1 1564 1923 1845 2845 2592 1 1 1568 1870 2090 2281 2776 2784 2809 2562 2037 1611 2966 2967 1842 1827 2311 2336 272.0727 *272.0773* 272.0773@2.6564384 1 1657 1 1 1 1 1472 1286 1 1 1 1686 1368 1 1 2633 1290 1543 1 1 1039 1466 1 1 1 1 1 1 1 1 1 1080 1 1 1771 1654 1 1 3875 1 1 1 1 1 1 1 1 1896 1 2439 1 1 1 1 1 4580 1 1 1 1 2483 1 1 1 1260 1621 2324 1 1282 1263 1 1 1396 1526 1 1 1 1 1 1 1735 1 1 1430 1 1 1 1 1579 1571 272.0773 *272.0835* 5-S-Cysteinyldopamine 1425 1419 1612 1 1576 1555 1482 1815 1336 1388 1426 1 1763 1852 1546 1633 1321 1571 1492 1 2095 2200 1 1539 1080 1075 1640 1381 1579 1720 1598 1 1432 1408 1441 1396 1343 1496 1 1 1430 1517 1815 1580 1770 1589 1266 1 1491 1219 1696 1428 1499 1523 2537 2342 1521 1934 1492 1696 1 1577 1 1319 1937 1782 1234 1293 1057 1112 1 1 1728 1358 1696 1185 1 1 1523 1546 1496 1279 1280 1525 1161 1210 1462 1 1178 1360 272.0835 *272.0911* 272.0911@1.0742776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4682 4564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0911 *272.0915* 272.0915@2.8976798 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 272.0915 *272.0941* 272.0941@1.4135332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3204 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 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 2258 1859 272.0941 *272.106* 272.106@1.6668301 1776 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 5296 5231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1689 1 1 1 1 1 1 1 1 1 3205 1661 272.106 *272.1068* 272.1068@1.5308459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 272.1068 *272.1197* 272.1197@6.4828653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1197 *272.1213* 272.1213@5.141097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4146 5578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1213 *272.1213* 272.1213@5.1431427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1213 *272.122* 272.122@1.459741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.122 *272.122* 272.122@6.9440627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 272.122 *272.1305* 272.1305@5.557402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24246 28766 8517 4559 4131 3135 2699 2400 2133 1808 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1305 *272.1627* 272.1627@1.1943868 1 1 5311 1 1 1 1 1 1 1 3872 1 1 1 1 1 1 1 1 1 1 1 1 1 33984 34284 5326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3600 1 1 6200 1 1 1 272.1627 *272.1634* 272.1634@1.1299874 1 1 7656 6780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25930 26879 1 1 1 1 1 1 1 1 1 1 3854 1 1 1 1 1 1 1 1 4600 1 1 1 1 1 1 1 1 1 1 1 1 9179 9301 1 3675 1 1 1 1 1 1 1 1 4730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1634 *272.1686* 272.1686@1.0503457 1 1 5549 5148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3235 3529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3908 4697 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 1 272.1686 *272.1806* 272.1806@1.0501225 1 1943 1 1 3172 3028 1 1 1 1 1909 2529 2481 2751 1 1736 1 1 2407 1975 1 1 1 1 1 1 2028 2309 2618 1 3502 2281 1283 1 1302 1259 1 1 2064 1 1 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1224 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 1 272.1806 *272.1873* 272.1873@1.0721904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3517 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 272.1873 *272.1883* 272.1883@1.0566216 1510 1 1 1 1 1 1 1 1 1 1 1 1 1 2030 1 2277 1672 1 1 1 1 1989 2332 1 1 1 1 1 2723 1 1 1 1434 1 1 1 1 1 2143 1 1428 1 1 1 1 1367 1 1 1553 1 1 1 1 1 1 1 1 1 1 1880 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1392 1 1 1 1 272.1883 *272.1987* 272.1987@1.0594221 1 1 1 1 1 1 2658 3831 1 2372 1 1 1 1 1 1 1 1 1 1 3115 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 272.1987 *272.2073* 272.2073@1.0673621 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 1 1 1 1 1 1 1 1 1 2164 1 1 1 1 1 1 1 1 1 3568 1 1 1 1 1 6782 1 1 1 1 1 1 1 1 1 1 1 1730 2262 2072 2373 3458 1 1 1749 1 1 1 1 1 3241 3028 5004 4428 1 1 1 1 1 3026 7831 2619 272.2073 *272.2109* 272.2109@1.0639594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6309 5366 5516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6918 6781 1 1 2659 1 1 1 272.2109 *273.0688* C12 H19 N S3 5546 5221 7384 6894 5354 5029 6284 6452 5476 6499 8138 7218 1 4677 1 4779 4944 4653 6340 6720 5789 1 1 6633 1 6555 7674 6845 6434 5358 8297 7765 1 7144 1 1 1 8282 1 1 8197 7631 1 1 3703 3706 6349 5900 5363 6025 1 1 7259 8278 5961 6170 1 6991 8115 1 10748 10287 6999 1 1 7951 1 5855 8422 1 1 1 5713 5179 8182 6984 10303 9443 10351 10534 1 12256 7797 1 1 13104 1 8420 10892 1 273.0688 *273.069* 273.069@2.5134532 1 1 19276 1 13050 1 1 1 1 1 19297 19103 1 1 1 1 1 1 1 1 1 1 1 31120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39163 1 1 1 1 273.069 *273.0782* 273.0782@1.091336 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 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 1497 1 1 1160 1143 1 1 1 1 1 1 1100 1 1 1 1 1 1 1096 1144 1 1010 1 1 273.0782 *273.0878* C11 H16 Cl N3 O3 1825 1 1 1466 1 1747 2324 1924 1469 1488 1 1010 1 1 1 1 1 1091 1 1 1326 1354 1 1 1 1211 1 1 1 1 2128 2284 1310 1106 2763 2762 4139 3547 3065 3008 2022 2227 1609 1592 1 1 3219 3129 1 1 1021 1 2327 2684 1377 1147 2174 1913 2334 2409 4770 5124 3986 4186 4999 5149 1352 1296 1743 1929 6156 6167 2435 2483 4084 3955 2407 2209 4654 4569 2660 2540 1704 2295 3991 4408 1264 1214 3821 3817 273.0878 *273.0881* 273.0881@1.0951023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2138 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2367 2386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.0881 *273.1016* 273.1016@1.2088566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 273.1016 *273.139* 273.139@5.0719337 1 1 3003 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3370 3921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.139 *273.1394* 273.1394@5.04765 1 1 2312 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3361 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1394 *273.1404* 273.1404@1.2113698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1404 *273.1481* 273.1481@1.2160758 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1481 *273.1779* 273.1779@1.2109149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1008 1 1 1 1 1 1 273.1779 *273.189* 273.189@1.0552573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.189 *273.1901* 273.1901@1.1868814 1 1 1 1 1 1 1 1 1 1 2177 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5146 2688 1 1 1 1 1 1 1 1 1 5120 1 1 1 1 1 2040 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.1901 *273.194* 273.194@3.399878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 273.194 *273.1973* 273.1973@1.0824622 1 1 1 1 1 1 1 1 1 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 2548 1 1 1 1 1 1 1 1 1 3111 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1913 2559 1 5673 1 1 1 1 1 1 1 1 273.1973 *273.2673* 273.2673@4.0696473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.2673 *273.8672* C4 Cl2 N2 O4 S2 1836 1668 2071 1834 1817 1888 2054 1834 1635 1838 2024 1759 1804 1730 1663 1983 1684 2099 1863 2157 1793 1977 2024 1420 1566 1480 1455 2439 1653 1202 2091 1839 1334 1960 1579 1827 1786 1654 2050 1899 1 2096 1619 1744 1892 1825 1819 1647 1872 1655 2091 1940 1750 1657 1748 1788 1762 1984 1562 1720 1571 1547 1796 2182 2208 2254 1656 1680 1737 1647 2254 2549 1483 2095 1806 2134 2260 2152 2754 2680 2190 2576 2011 2486 2792 2811 2159 2174 1449 1885 273.8672 *274.0718* 274.0718@2.508602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 274.0718 *274.0836* FISETINIDOL 7032 7274 5026 5039 7140 6951 9552 8866 6124 6206 3835 3754 1292 1364 2124 2030 3417 3335 3315 3205 5332 4657 4155 3958 4105 4347 4630 4555 1 1 9450 9936 5906 5275 12494 12626 16178 1 13945 13414 9325 9722 7165 7017 3939 3559 14628 14397 2372 1569 4529 3766 10919 10702 5153 4443 1 8800 11301 10612 21741 21659 15558 15604 21375 1 5185 5436 7757 7814 25751 1 11679 11872 17546 16523 10298 10676 19141 19490 1 10580 7019 9010 18902 18339 5647 5354 17066 17806 C09735 274.0836 *274.1049* 274.1049@5.846966 1 1 1 1 1 1 1 3132 1 1 3323 1 1 5386 1 1 1 1 1 3107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2721 1 1 1 2893 1 1 2936 1 1 1 3969 1 1 1 1 1 1 1 1 1 1 3838 1 1 1 1 1 1 1 3034 2877 1 1 1 1 3646 1 1 2571 1 1 1 1 1 1 3795 3655 1 1 1 1 1 3166 1 1 274.1049 *274.1784* 274.1784@1.132617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.1784 *274.2316* 274.2316@1.0681702 1 1 1 1 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6369 5835 1 1 1 1 1 1 6010 5897 1 5142 1 6453 8132 6869 1 1 1 1 1 1 4283 5135 5862 1 1 1 1 1 1 1 1 1 1 1 5562 5773 1 1 1 1 274.2316 *274.2348* C13 H30 N4 O2 5079 4382 5594 6127 1 3854 1 1 1 1 1 1 1 1 1 1 5566 5062 1 3903 1575 1 7095 7047 1 3484 1 1 1 1 4681 5322 4414 4702 3354 4891 1 1 1 4345 4884 4673 5499 5254 5528 5710 5568 6021 1 1 1 1 1 1 4890 5039 1 1 5629 1 9406 1 1 1 5695 5745 1 1 1 1 1 1 1 5369 4533 4258 3690 4147 1 1 1 1 1 1 1 1 1 1 1 5025 274.2348 *274.2444* C18 H30 N2 1 1 1 1 2977 1 5986 8273 5870 6310 3646 4360 5236 5526 3883 3554 1 1 4640 1 1 6489 1 1 3356 1 4274 4074 4053 5077 1 1 1 1 1 1 6995 7982 4207 1 1 1 1 1 1 1 1 1 1 1 8538 7961 6934 10841 1 1 1 1 1 1 1 4042 1 1 1 1 5359 4082 5177 5182 1 1 1 1 1 1 1 1 5756 4715 5257 8660 1 8828 1 1 6321 6028 5839 1 274.2444 *274.249* 274.249@1.0932915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18420 1 1 1 1 1 1 1 274.249 *274.2502* 274.2502@0.8379406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 274.2502 *274.9839* 274.9839@0.8495363 1 1 1 1 1351 1317 5579 5764 1 1 1 1 5515 5297 1 1 8647 9050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12419 12575 1 1 1 1 1 1 1 1 7391 7716 1 1 1 1 1 1 1 1 1 1 9872 11121 274.9839 *275.0671* 275.0671@2.860441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3622 1 1 1 1 1 1 1 1 1 1 1 1 3145 1401 1 1 1 1 1 1 1 1 275.0671 *275.0674* 275.0674@2.631717 1 1 1 1 1 1 1 1 1 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 1 8403 4934 8364 1 3940 1 1 1 1 1 1 1 1 1 1 1 1 10132 1 1 1 1 1 1 1 1 8719 1 1 1 1 1 5194 1 1 1 7526 1 6429 1 1 8233 1 1 1 2222 3648 1 1 1 1 7107 1 1 1 275.0674 *275.0677* C16 H9 N3 O2 13912 7335 5500 4244 8895 6658 1 14872 3639 3730 4959 9651 8888 3831 14801 9496 10314 9051 1606 14279 5226 5588 4360 5747 1 14673 1 10222 1 1 1 13454 4781 8135 5876 3665 4245 4795 4402 3620 1303 7405 5825 3934 1 6282 16299 1 14151 12957 1 1 4328 1 6599 4558 17368 6442 6360 1 1 4377 5361 1 1 21156 3911 3397 1 1 1 1102 15924 2983 1 7888 5943 11665 5409 4950 4099 5539 6624 1 5464 6420 1512 6910 6936 6306 275.0677 *275.0677* 275.0677@2.7667513 1 4261 1 4670 6616 4023 1 1 1 1 8529 1 5249 1 1 5364 3868 1 3878 1 1 1 1 1 1 1 1 4915 1 1 1 1 3948 2423 1 3263 5957 3167 1 3606 3131 1 1 3703 1 8545 1 1 1 1 1 1 2771 1 2858 1 1 6182 2879 1 1 1929 4665 1 1 1 1 5799 1 1 1 8938 1 2963 1 11995 1803 10259 8473 1267 2679 2879 1 1 1 1499 6444 7085 6088 4929 275.0677 *275.0681* 275.0681@2.7380855 1 1 1 1 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 2094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 4228 1 1 1 7188 4232 1 1 1 1 1 1 1 1 275.0681 *275.1287* 275.1287@4.505449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7682 7521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13813 14564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1287 *275.1303* 275.1303@4.722025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304365 307617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421045 422469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1303 *275.133* 275.133@1.2319924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 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 1 275.133 *275.1381* 275.1381@7.387206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1415 1 1 1 1 1 1128 1083 1195 1 1 1 1 1786 1340 1 1060 1 1 275.1381 *275.1419* 275.1419@1.5067291 1 1 1 1 1 1 4372 2952 1 1 5753 2908 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 1 1 1 1 1 1 4473 4409 1 1 1 1 1 1 1 1 1 1 2830 2339 1 1 1 1 1 2913 3162 1 1 1 3423 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1419 *275.1451* 275.1451@1.5425255 1 1 1 1 1 1 1 4458 1 1 3817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1451 *275.177* 275.177@7.0302553 1 1 1 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 1228 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 1 1 1 1 1 1 1 1 1928 1914 1 1 275.177 *275.1824* 275.1824@1.1370565 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 1698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1677 1 1 1 1 1 1 1 1 1 1 275.1824 *275.1836* 275.1836@1.5361758 1 1 1 1 1 1 1 1 1 1 1 1 1399 2449 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 1113 1 1 1 1 1 1 1 1 1 1 2704 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 2181 1 1 1 1 1 1 1 1 1 1 275.1836 *275.1837* 275.1837@1.4245498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 275.1837 *275.1849* 275.1849@1.1895652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 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 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1849 *275.1868* 275.1868@2.0872672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 275.1868 *275.1874* 275.1874@2.0386062 1 1 1 1 2488 1 1 1 1 1 1 1 2377 1 1 1 1 1 1 1 2054 1 2147 1 1 1 1402 1 1353 1 1951 1980 1 1 1 1 1 1 2699 1 1 1 1 2906 1 1 1322 2252 2130 1 1293 1 1 1 1 1 1 1 1 1 3452 3121 2062 1 1822 1 1 1 1 2365 1 1 1 1 1 2703 1 4036 1 1 1 1 2225 3505 2064 1 2420 1 1 1 275.1874 *275.1875* Meradimate 2146 1 2416 1 3598 3277 1444 1505 2783 1 1542 1 1117 1 1540 1 1 1726 1 1536 1648 3109 3316 1 1 3247 1160 1 1081 2220 1183 3630 1692 1761 2323 5197 2229 2102 1073 1 1914 1 3069 1115 2460 1926 2140 1199 1511 1936 1430 2295 1945 1836 1630 2878 1 2525 1 1 1471 2342 1869 3376 1870 1 1 2310 3031 1803 4166 1 1 1 1121 1670 1 3172 2074 1288 3192 2753 1848 2957 2904 2138 1544 3261 1706 1956 275.1875 *275.1876* Meradimate + 2.886999 3964 3219 2947 3221 4022 4228 3230 2869 3931 3982 1 1 3963 5836 1146 4222 3289 3494 3259 3050 2233 3103 3964 3031 2551 2173 1 1975 2337 2746 1 3033 1986 2771 3487 3857 1 1 2554 3247 1 1389 2677 2281 2875 1 1 1 2637 2780 3308 1 2981 2855 1 1 1 1576 3056 2025 2960 1 2987 2662 2979 1 1 1 1 3595 6759 3505 3049 3694 2474 1 6279 3763 3499 2841 1 6952 1 1938 4692 5363 2461 6561 2682 4005 275.1876 *275.1876* 275.1876@1.1898499 1 1170 1 2357 1 1 1 1 1 1 3701 1 1 1 2329 1 1 1 1 1150 2321 2457 2142 1477 1 1637 1 1 1 1 2797 2539 1 1 3655 4454 4106 1 2217 1 1381 2159 1 1 1 3753 1 1 1 1794 2082 2603 3570 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2108 1 1 1 1 1 1 1 1018 1 1 1 1 2019 1 1 1 1 1 1342 1 275.1876 *275.188* 275.188@3.5842972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7324 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.188 *275.1881* 275.1881@0.944202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2001 1 1 1 1 1136 1 1 1 1 1 1 1 1868 1 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 1863 1872 1 1 1 1 1 1 1 1 1 1 275.1881 *275.1885* 275.1885@3.547234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1885 *275.1888* 275.1888@2.2061286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 2631 1 1 1 1 1 1953 1 1 1 1 1 1 275.1888 *275.1889* 275.1889@2.941062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 3311 1 2550 1 1 1 1 275.1889 *275.1899* 275.1899@2.487026 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 275.1899 *275.2042* 275.2042@1.1962936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1 1 1 1 2572 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 275.2042 *275.2109* 275.2109@1.1010278 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.2109 *275.2145* 275.2145@1.0545963 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.2145 *275.2214* 275.2214@1.0674312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1231 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 1340 1055 1 1 1 1 275.2214 *275.2698* 275.2698@4.722526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 3670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5167 5092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.2698 *275.3289* 275.3289@4.727298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.3289 *276.0089* 276.0089@1.3216449 1 1 1 1 1 1 1 1 1 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 1 276.0089 *276.0465* 276.0465@1.6621164 1731 1 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 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 1739 1 276.0465 *276.0833* 276.0833@4.3907886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4602 4476 1 1 1 1 3948 4125 2761 2715 3399 3584 2590 2285 3184 3271 2814 2852 1 1655 276.0833 *276.0839* 276.0839@2.8646386 1 1 1 1 2916 3135 1 1 1 1 1 1 1 1 1 1 2169 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 2326 1 1 1 1 1 1 1 1 1 1 1 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0839 *276.0969* 276.0969@1.912865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 11008 6373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.0969 *276.0983* 276.0983@5.556372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 276.0983 *276.0986* URSINIC ACID 3201 3008 2942 3049 3163 2895 3258 3100 3354 3338 2848 3292 3057 3080 2925 3010 2998 3091 2612 3072 3116 3263 3309 2613 3271 2818 3287 3103 2856 2762 3455 3227 2776 2835 3298 2990 3044 2538 3230 2759 3342 3276 3250 2973 2743 2731 3075 2972 2924 3245 3009 3397 2800 3557 2664 3248 3441 1996 3074 3004 2609 2906 2679 2836 2835 2943 2694 2704 2503 3046 2530 2785 1 2781 2833 2141 2892 3227 3092 2841 2815 2858 2788 2862 3099 3024 2772 2424 1 2310 276.0986 *276.0986* 276.0986@1.882298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 276.0986 *276.1055* 276.1055@1.9886255 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3380 1 1 1 1 1 1 1 1 1 1 276.1055 *276.1338* Saccharopine 4803 5026 3345 5904 4074 1 4267 5080 4372 5842 4346 4227 7443 7656 4326 4851 3223 3920 4720 1 5829 5218 5846 5585 3661 3669 5892 5661 1 4682 1 1 3839 4380 3332 3491 3753 4134 4589 4076 3831 3343 3850 3876 4210 4250 2875 3583 3660 4100 1 3605 2948 1 3922 4114 4244 1 3764 4421 1 1 3191 3621 3433 2838 4413 1 3866 3766 1 2341 3596 4202 3987 3542 3187 3102 1 1 1 3141 1 2829 4254 4336 3128 3503 1 1 HMDB00279 C00449 276.1338 *276.135* 276.135@1.0955521 1733 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 4842 1 1 1 1 1 1 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 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 1295 1 1 1 1 1 3297 3963 276.135 *276.1361* 276.1361@1.106453 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 276.1361 *276.1394* 276.1394@1.1314212 1 1 1 1 1926 1 1 1 1931 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 3320 5245 3182 5344 5889 1 5786 1 1 4375 1 1 1 2297 1 1 1 1 1 1 2073 3250 1 1 1 1 1 1 1 1 1 2196 3169 1 1 1 1 1 1 1 3334 2705 2447 1 2049 1 3825 1 1 3407 1 1 3134 1 1 2553 1 1 3777 4517 3039 276.1394 *276.1408* 276.1408@1.1258461 1 1 1 1 1 1 1 1 1 1 1 1 1 2028 1 1 1 1 1 2483 1 2620 3257 3801 1 1 1 1 1 1 3083 4763 1 1 1 1 1 1 1 4324 1630 1270 1 1 1 1 1 1 1548 1 1 3799 3365 3162 1 1048 1 1 1 1 1 1603 1 1 1 1 1 1 1 1 1 1 1 1 2668 1 1 1 5160 5751 1 1 1 1 1 1 1 1 1 1 276.1408 *276.1482* 276.1482@1.146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 276.1482 *276.1615* 276.1615@1.0617982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 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 1033 1 1 1 1 1 1 1 276.1615 *276.1695* C13 H20 N6 O 3206 3003 2429 3093 3043 2997 2765 3037 2481 2608 2602 2585 2739 2863 2957 2765 2857 2845 2940 2481 2959 3034 2834 2947 2753 2993 2911 2685 2439 3138 2684 2422 2478 2867 2936 2954 2532 2854 1848 2732 2422 2732 3255 4235 5587 5253 5980 6055 5399 5289 5302 5242 5909 4925 4936 5236 5229 5119 6077 5171 3293 3518 3304 3593 3198 3126 3011 3269 3123 2659 3529 3597 3381 3560 4124 3622 3581 2994 2839 2975 3544 3430 3438 3670 3318 1234 3016 3558 4070 3043 276.1695 *276.1697* 276.1697@10.87859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 276.1697 *276.173* 276.173@1.0382956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7730 1 1 1 1 1 1 1244 28360 27121 1164 1 1 1 8219 1 1 1 1 1 1 1 1487 1424 1029 1 1 1 9174 1 3239 2689 1 1 1 1 10873 1063 1906 1 1 1 13594 13838 1 7326 1 5993 1 1 1213 1 7393 1264 1 1 1 1 1234 1 1 1 1 1 1 1560 13150 2196 276.173 *276.1776* 276.1776@1.0723644 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 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 1284 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 1 276.1776 *276.1851* 276.1851@2.047612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1851 *276.1862* 276.1862@1.1354673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2596 1 1 1 1 1 1 1 1 1083 1 1 1 1 276.1862 *276.1946* 276.1946@1.1369579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3164 1 1 1 1 1 1 1 1 1 1 3842 1 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 1 276.1946 *276.2006* 276.2006@1.1430128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.2006 *276.2064* 276.2064@1.1434268 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.2064 *276.2117* 276.2117@1.3588682 1 1 1 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 1 1020 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.2117 *277.0061* 277.0061@0.8118448 1 1 1 1 1 1 1175 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.0061 *277.0287* 277.0287@5.643067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1210 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1731 1670 1 1 277.0287 *277.1177* Queuine 1 1 2515 2268 1 1 1 2235 1583 1977 3461 2894 1991 1842 2440 2869 1394 1934 3922 4408 1 1 2394 2373 5027 5332 3115 3939 1 1 6268 7388 4128 3456 3465 3460 1 1 1 1 2019 2060 2285 1861 1211 1 3546 3585 1165 1212 8355 11979 1 1486 1 1 1517 1 1 1 1 1 1 1 1 1535 2174 2477 1 1 5778 6491 6696 6130 3859 3342 3523 3583 3729 4416 2554 2425 3112 4096 3860 4040 2011 2285 2781 2024 HMDB01495 C01449 277.1177 *277.1324* 277.1324@1.2113215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1298 1 1 1 1 277.1324 *277.1403* 277.1403@1.2095636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.1403 *277.1513* 277.1513@1.1019254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2493 1 1 1 1 1 1 1 1 277.1513 *277.155* 277.155@1.0812035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.155 *277.1678* 277.1678@1.1741168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1732 1799 1 1 1 1 1 1 1496 1 1 277.1678 *277.1732* 277.1732@1.203536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6355 1 1 1 1 1 1 1 1 277.1732 *277.1793* 277.1793@4.6112094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6071 6761 9403 9249 6217 1532 15335 14539 8294 7787 2371 9141 3104 1068 1072 1 8502 2367 5290 3892 8851 7848 1 1 9175 11511 6536 6151 9735 9639 277.1793 *277.1797* 277.1797@1.204492 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.1797 *277.1918* 277.1918@1.1709675 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 1 1 1 1 1 1 277.1918 *277.1976* 277.1976@4.774129 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.1976 *277.2026* 277.2026@1.1729629 1 1 1 1 1451 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2026 *277.2054* 277.2054@4.304944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3708793 3738776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2054 *277.2063* 277.2063@1.1706735 1 1 1 1 1 1 1 1 1 1 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 2133 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 277.2063 *277.2085* 277.2085@1.1711309 1 1 1 1 1 1 1 1 1220 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 1675 1452 1 1996 1 1 1 1 1 1 1549 1 1 1047 1 1 1 1 1 1 1 1085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1 1 1925 1 277.2085 *277.2194* 277.2194@1.1731747 1 1 1 1 1 1 2023 1731 1 1 1 1 1 1 1 1 1 1 1 1 1498 1835 1 1 1 1 1 1 1 1 1 1 1 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 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2194 *277.2233* 277.2233@1.1810642 1 1 2716 3115 1 1 1 1 1 1 4139 4065 1 1 1779 1697 1 1 1 1 1 1 1 1679 3828 1 1 1 1 1 1 1 1 1 1 1 1 3798 1 1 1 1 1 1 3028 6468 1 1 1 1 1 1 1 1 3347 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1925 3511 2964 2589 1 1 2972 4811 1 1 277.2233 *277.2321* 277.2321@1.1850245 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2321 *277.2391* 277.2391@1.1903839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11770 11444 3359 3271 1 1 11117 10144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7833 7643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2391 *277.2471* 277.2471@1.0916737 1 1 1 1 1 1 1 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 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 1 277.2471 *277.2533* 277.2533@1.0949701 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.2533 *277.2584* 277.2584@1.0969226 1 1 1 1 1 1 1354 1 1 1 1286 1 1 1 1 1 1 1 1 1 1 1 1032 1392 1 1 1 1 1436 1 1399 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1750 1 1923 1959 1 1 1 1208 1 1 1 1 1 1 1 1 1 1115 1 1166 1 1 1216 1321 1 1 1 1 1144 1 1439 1 1 1 1 1 1322 1290 1147 1227 277.2584 *277.8624* 277.8624@4.314636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 277.8624 *278.0004* 278.0004@4.299251 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0004 *278.0104* 278.0104@4.3166375 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0104 *278.0559* 278.0559@1.348078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 278.0559 *278.0586* 278.0586@1.3101221 1 1 1 1 1 1 1 1 1 1 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 1800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 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 2568 1 1 278.0586 *278.0641* 278.0641@1.1748798 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1 1 278.0641 *278.0774* 278.0774@1.5514768 1 1 1 1 1 1 1 1 1 1 2709 2091 1 1 1 1 1 1 9475 9285 1 1 1 1 1 1 2994 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 9532 23319 1 1 1 1 3798 3696 3976 4880 1 1 1 1 1 1 1 1 1 1 1 1 5478 5380 2923 2758 1 1 1 1 1 1 1 1 1 1 1 1 278.0774 *278.0825* 278.0825@1.5445102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0825 *278.0837* 278.0837@5.179098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1938 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0837 *278.0871* 278.0871@1.2034662 1 1 1 1 1 1 1 1 1 1 28879 27228 1 1 1 1 1 1 1 1 1 1 1 1110 31235 30182 1 1 1066 1 1 1 1 1 1 1 1369 1 1 1 1 1 4219 6154 2427 1 1 1 1 1 1 1 1 1 1 1 1 4486 18860 17809 1 1 1 1 1 1 1 1 1 1 8959 9925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0871 *278.0887* C13 H14 N2 O5 1 1 1 1 1 1991 1902 1 1 2218 1 1 1531 1 1 1 1 1 2697 1718 1599 1 2499 1996 1 1 1 1 1 1 1815 1819 2429 1 2612 3037 1775 3517 3436 3069 2891 2883 1 1603 1 1 2652 1509 1 1 1 2755 2607 3547 1 1 1 1 1102 2981 3859 3671 2624 3848 2561 2213 2913 1784 2957 3156 4815 4707 1961 2117 2979 2089 1447 3236 1 2703 3281 3184 2059 1 2262 4314 3080 1410 3551 2602 278.0887 *278.0914* 278.0914@3.0730915 1 1 1 1 1 1 1 1 1 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 2213 1 1 1 1 1 1 1 2621 1 1 1 1 1 278.0914 *278.0919* 278.0919@4.3156366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0919 *278.0954* 278.0954@1.2080449 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 5027 1 1 1 1 1 1 1 1 1 1 1 3623 3816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.0954 *278.1135* 278.1135@1.2245815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1135 *278.117* 278.117@1.2351421 1 1 1 1 1 1 1 1 1 1 9176 18238 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 1 1 1 1 1 1 1 1 1 5477 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 1 1 278.117 *278.1287* Tyr Pro 1 1 5387 6985 32593 33033 20747 19222 1 1 1 1 6284 4265 1 7413 5540 5976 10414 11480 16176 15382 1277 1 1 1 8795 9640 1 1 5756 5953 6620 5959 5151 6829 8481 1 7158 7034 6711 7710 4226 2882 1641 2350 11995 13086 8616 7907 5746 5908 1 1 21044 24891 11761 11086 1 1 11887 14761 1 1 26380 26889 8719 7971 10038 7315 1 1 5866 1 7767 9088 1 1353 1 1 18787 18332 2783 1 8833 9405 11748 11821 1 16826 278.1287 *278.1296* 278.1296@1.277816 1421 1 1 1 6110 1 1 1 1927 1205 1 1 1 1 6475 1 1 1 1 1 1 1 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4814 4679 3643 2250 1 1 1 1 1 1 3017 2735 4141 4275 1 1 1 1 1 1 1 6542 1 1 1 1 3770 5566 1 1 1 3293 1 1 1 1 1 1 278.1296 *278.1394* 278.1394@1.2307863 1 2266 1 1 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 1 1 1 1 1 278.1394 *278.1522* Phthalic acid Mono-2-ethylhexyl Ester 58584 63729 43863 55248 73236 69632 69456 68445 71253 71446 56625 57159 102775 98749 76958 73640 40035 40234 82840 83037 76586 75922 95810 98308 71843 71137 80099 80127 83342 84550 54956 57557 57707 59992 48018 51583 56320 55289 52846 51237 50241 50150 61421 61373 50389 49991 48969 50669 47545 45500 58299 57971 84909 83204 45790 42444 62641 60672 52783 50149 50488 50093 45285 45832 45426 47259 40250 40882 36931 38078 29940 27928 45308 51338 57395 54491 41447 41235 42485 38972 57619 55765 35502 37717 42778 49732 34676 37497 55271 54181 278.1522 *278.1525* 278.1525@1.071018 4182 1 9746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 6112 1 6094 1 1 1 278.1525 *278.1593* 278.1593@1.4723976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.1593 *278.1619* 278.1619@1.1440089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2762 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1905 1530 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 1743 1 1 1 1 1 1 1 1 1 1 1830 1 1 1 1 1 1391 1 1215 1 1 278.1619 *278.1868* 278.1868@1.3352389 1 1 1087 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 1024 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 1 1 1 1 1 1 1 1 1 1 278.1868 *278.2116* 278.2116@1.1607059 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 1 1 1 1 1 278.2116 *278.2174* 278.2174@1.1024038 1 1 1 1 1 4767 1094 3766 1 1 1 1 1 1 1 1 1 1 1180 1578 1 1 1 1 1 1 1 2321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3324 3345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2325 2769 1 1 1493 1258 1312 1 1 1 1 1 1 1 1 1 1 1 1938 2637 1 1 1 1 1 1 278.2174 *278.2238* 278.2238@1.1705927 1 1 13034 1 1 1 1 1 1 1 22207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 5998 5509 1 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.2238 *278.8* 278.8@4.2902613 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 1 1 1 1 1 1 1 1 278.8 *278.8297* 278.8297@4.303247 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 1 1 1 1 1 1 1 1 1 1 1 1 1 278.8297 *278.9644* 278.9644@4.294257 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 278.9644 *279.0319* 279.0319@4.2952557 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 1 1 1 1 1 1 1 1 1 1 1 1 1 279.0319 *279.0598* 279.0598@2.1934004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2477 1 1 1 1 1 1 1 1 1 1 279.0598 *279.0724* C17 H13 N O S 1452 1 3369 3065 1573 1722 4031 4007 2101 1996 5591 6563 2339 2419 2337 2427 1991 2334 5293 5593 3219 3066 1536 1283 1 1 3753 3704 1 1 3369 3190 5015 4674 2408 2450 4578 4439 2795 2883 3114 2827 2727 2684 1 1 2729 2835 3497 3637 2869 2288 2770 2471 1 1 1 1 1668 1683 10403 10224 3746 3977 3516 3621 3858 3867 3708 3943 5269 5422 2145 2178 1849 2032 4636 5031 1 1 4705 4730 4859 5288 9652 9474 5605 5896 2719 2748 279.0724 *279.0826* 279.0826@2.433813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2086 2410 1 1 1 1 1 1 1 1 1 1 279.0826 *279.0869* 279.0869@3.4544926 1 1 1 1288 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1311 1 1534 1 1 1 1 1 2548 1 1 1 1 1 1755 2183 1836 1 1 1 1 1 1 1 1866 1 1 1 279.0869 *279.1132* 279.1132@2.0789487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 1 1 1 1 1 2046 1 1 1551 1 1 1 1 2160 1 1 1 1 2574 1 1 1 1 3385 1 1 1 1 1 1 1 1 1854 1 1 1 1 1 1 1 3045 1 1 1 1 1 1664 1 1 3026 2507 1 1 1 1424 1 1 1 3217 279.1132 *279.1148* 279.1148@2.06969 4116 4296 3777 3762 2154 1966 3166 2986 1 4275 3636 3507 4053 2347 5177 5573 4014 4196 4118 4493 4435 4513 4799 4654 4184 4411 6213 3533 1945 3962 3841 4258 1 1 2755 2945 2294 4180 4852 3129 3221 3232 1767 2043 1599 3936 3360 3571 4376 1505 1 4138 4021 4461 1738 4620 4058 3510 3961 3607 2580 1 1557 1421 2137 4350 3896 4153 4675 5187 5383 2700 2121 1 3103 3128 4710 3859 4332 4920 3375 3337 3294 3894 4120 3213 2907 5103 4152 1310 279.1148 *279.1325* 279.1325@1.2295209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1325 *279.1372* 279.1372@1.2410818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11628 11868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3252 1 1 1 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 1 18402 20304 1 1 1 1 279.1372 *279.1418* 279.1418@3.00702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1418 *279.146* 279.146@1.3136597 1 1 1093 1 1 1 1 1 1 1 1868 1 1 1201 1 1 1 1095 1 1 1 1 1 1 1 1 3460 1 1 1 1 1 1 1 1 1 1 1 2699 1 1264 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 1213 1 1 1 1 1 1087 1 1 1 1 1 1 1 3042 1 1 1 1 1 1 1 1 1 279.146 *279.1467* 279.1467@1.4681354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1467 *279.1494* 279.1494@3.2411597 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1494 *279.1514* 279.1514@1.229151 1 1 1 1543 1 1 1 1 1 1 2386 1 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1514 *279.1589* 279.1589@1.222265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1589 *279.1624* 279.1624@4.3513527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59887 59171 279.1624 *279.1658* 279.1658@1.2082299 1 1 1 1 1 1481 1260 1977 1 1 1 1 1 2041 1819 1 1 1 1739 1 1550 1 1 1 1 1 1 1 1 1 1980 1 1 1551 1 1 1 1 1 1 1 1 2918 1 1 1 1339 2187 1 1 1 1 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 3493 1 1 1 4522 1 1 1 1 2321 1 4428 3864 1 1 1 1 1 1 1 3285 1521 1 279.1658 *279.1735* SIBUTRAMINE 2534 2095 1 1 1300 1 1 1 2378 2088 5163 4102 2337 1 1 1577 1861 2108 1 1 1 1 2626 1 2728 2703 6039 2523 1604 1 1 1 1588 1 3712 1 1 7618 1764 2293 2691 4192 1 2214 1 1 1 1 1 1748 1512 1642 1493 1 1 2344 1 1328 1 1 1 1 1 2271 1143 1 2099 1 1070 1 1189 1 2471 1751 1961 1 1 1797 1 1 3158 1 1 1586 1 1 2396 1 1 2172 279.1735 *279.1783* 279.1783@1.2073072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 279.1783 *279.1835* 279.1835@4.965043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4650 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1835 *279.1838* 279.1838@4.5710015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10336 9932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1838 *279.1842* 279.1842@5.173072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 2090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.1842 *279.185* 279.185@5.016658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3520 3834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.185 *279.2354* 279.2354@1.1538703 1 1 1 1 1 1287 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1555 1 1 1 1 2642 1 1 1 1 1 1 1 1 1 1 1 1962 1 1 1 1 1 1 1 1 1 1 1884 1 1 1 1 1 1 1 1 1 1 279.2354 *279.241* 279.241@1.1532094 1 1 1 1 1 1 1603 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 1 1 1 1 3046 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1832 1 1 1 1 1 1 1 1 1 1 1622 2780 1 2720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2640 2090 279.241 *279.2414* 279.2414@1.1530496 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.2414 *279.2426* 279.2426@1.1774886 3489 2180 1 1 1351 1 1 1 1 1 2043 1 1 1 1 1 1 2162 2485 1 6078 6037 1 1 1 1 1 1 1 1 1 1235 1 1 4660 1 1 1 4003 6584 1 1 2624 3910 1 1 1 1 1 1 1242 1436 1 1 1 2029 1 1 2242 2535 1 1 1 2745 1 1 1 1 1419 3463 2645 2708 1 1 1 1 1 1 1406 1263 1 1 2329 1 1 1 2081 3446 1 1254 279.2426 *279.2522* 279.2522@1.1623609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 279.2522 *279.2552* Linoleamide 1 1 9813 8301 1 1936 5070 5549 4649 5801 18579 18914 7047 5795 6539 5691 1573 1 14092 15511 1 1 8817 8480 18848 17430 78124 78548 23046 19906 1 1 20549 20631 1 2005 14405 14117 1 1 11140 10850 1 1 43490 40769 1 1 1 1 1 1 2431 3729 17862 17136 1 1 6435 6627 3805 4091 1 1 1 1 16874 15662 1 1 1 1 1 1 1 1 1251 1249 1 1 23351 23095 9475 11390 1 1 8514 6495 1 1 279.2552 *280.065* 280.065@1.9798015 1 1 1 1 1 1 1 1 1 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 10520 6325 1381 1 1 1 1 1 1 1 1 1 1911 1 1365 1395 1 1682 1055 4773 1 1 1 1 1 1 7100 1 1 1 1 1 1 1 1 1 1 1473 1 1068 1 1 1 1 8435 1 1 1 1 1 1 1 7120 13478 1 280.065 *280.0673* 280.0673@1.5414306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1912 1769 1 1 1 1 1 1 1 1 1 1 1 1618 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 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.0673 *280.0678* C16 H12 N2 O S 5863 5826 1 9363 8919 9831 14743 13222 17226 17526 22496 24338 14473 13228 1999 13150 8159 8242 15157 14650 10549 10006 7664 7176 5968 7030 1711 16004 7933 8622 17404 2457 1 16928 10917 11491 11487 2037 1 10691 16944 1 1 8824 3421 2762 1 10393 10269 1 9161 1952 13511 1 3716 1260 1521 1773 4511 4769 17236 1570 12379 2360 16183 17188 1 1910 1 15183 2221 2306 1834 13125 13898 13879 16840 1 1 1 14620 14101 17603 1 1 30652 21914 23118 11342 1 280.0678 *280.0694* 280.0694@1.4869933 1200 1 1 1 1 1 1 1 1 2289 1582 1410 1951 2588 1 1798 1517 1 1 1 1388 1 1377 1603 1 1 1 1 1549 1 2111 1 1 1 1620 1 1 1 1 1 1 1 1 2228 1 1 1 1 1178 1 2152 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 1 1 1 1 1744 1 1 1 2350 1 1 1 1 7245 1 1 1 1 1 1 1 1 1 1 1 280.0694 *280.0716* 280.0716@1.4730155 1 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 1 1 1 1 1 1 1 1 1 1211 1 1 1 1733 1 1 1 1535 1 1 2105 2535 1 1 1410 1 1 1 1 1216 1 1 1 1 1 1 1 1 1 1 1 3152 1 1 1873 2019 1848 1 1993 1 1 1 1 1 3090 2756 3662 3255 2403 3080 1913 2101 1 1 2624 2837 1940 2190 1 1 280.0716 *280.0993* 280.0993@5.2920084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 280.0993 *280.1022* 280.1022@1.4273432 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1022 *280.1218* 280.1218@1.3479438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 280.1218 *280.1239* 280.1239@1.4351584 1704 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1239 *280.1312* 280.1312@1.1571763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1312 *280.132* N-HISTIDYL-2-AMINONAPHTHALENE (betaNA) 44632 46286 43098 42646 53243 53486 46339 47415 51483 52278 39730 39925 41624 42347 57228 59026 55593 24353 55361 56912 62132 63850 43114 42722 51754 53754 48435 50363 55266 54966 53014 53840 68112 68988 44828 43885 45571 44154 46586 43303 66696 62948 40754 42862 40397 38917 47521 47327 56501 59534 61045 59690 51261 53310 54239 56230 46354 46646 61114 60134 57838 60215 57102 55411 61095 58854 51258 51752 56224 54606 52829 50574 43721 42821 39088 36628 51299 53815 48258 47030 39853 40710 53062 53025 37300 37210 44494 47342 41591 42777 280.132 *280.1323* 280.1323@2.0738852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13301 1 1 1 1 1 1 1 1 1 1 1 280.1323 *280.1436* 280.1436@1.2062691 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2394 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1436 *280.1436* 280.1436@4.7855654 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1436 *280.1498* 280.1498@1.2064933 1 1 1 2379 1 1 1525 1 1 1 1 1997 1 1 1 1 1 1920 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 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 1355 1 1 1 1 1 1 1 1535 1634 1 1 1 1 1 1 1 280.1498 *280.1501* 280.1501@2.566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 280.1501 *280.1567* 280.1567@1.2121954 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1567 *280.164* 280.164@2.0157225 1 1 1 1 1 1 1 1 1 1 2380 1869 1659 2531 1 2400 1 1 1 1 1 1 1 1 1 1 1 2745 2358 2027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.164 *280.166* 280.166@2.0025063 1 1 1 1 1 1 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.166 *280.1662* 280.1662@1.2006073 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1662 *280.2313* 280.2313@1.0477172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.2313 *280.2364* 280.2364@1.1249073 1 1 1 6779 1 1 1 1 1 1 1 1110 1 1 1 2007 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2150 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 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1198 1 1 280.2364 *280.2366* C9 H28 N8 O2 6483 6207 8508 3207 9380 9484 10669 12307 11331 9618 9996 10872 8427 9949 10621 10083 9266 9490 7310 6821 8228 8490 7191 6920 5576 8316 18050 12612 10812 11634 9912 9267 7673 6381 6082 4509 6205 4719 4839 5774 4066 5985 6231 7094 6279 5665 5210 7131 5831 6765 7028 1 11154 11115 7677 5984 1 1 9167 9044 7938 7680 4653 5792 11953 10737 4960 3521 13340 14529 8792 6733 4651 4177 5788 4611 6360 5383 7298 6972 6358 6072 11165 9109 1618 2295 6924 6366 6076 5794 280.2366 *280.2384* 280.2384@2.0458863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 280.2384 *280.2391* 280.2391@2.9439263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1142 1 1 1 1 1 1 280.2391 *281.0676* 281.0676@1.2089783 1 1 3102 2949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 2046 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 1 281.0676 *281.072* 281.072@1.2084621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.072 *281.0734* 281.0734@1.5274383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.0734 *281.1127* 1-Methyladenosine 20902 22154 20973 20790 16992 17591 28025 27366 22167 22830 26295 27729 20174 20268 23712 24477 27484 27197 30864 31822 16259 16915 18464 19098 14310 12966 18485 18528 16920 18215 21125 20781 22668 19896 23229 22764 30922 31438 37289 35405 34773 36900 21172 21826 18307 18249 21408 22649 18914 19240 28311 30399 22176 22137 25156 24914 14584 15711 27313 26259 38259 37941 26341 27309 32525 32399 29269 29678 27160 25562 46606 46714 21415 20736 18286 18827 36087 33566 25059 24057 45465 43790 40459 41746 44927 46792 26307 26240 22724 24853 HMDB03331 C02494 281.1127 *281.1132* 281.1132@6.1711717 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2085 1 1 1 1 1427 1 1 281.1132 *281.1137* 281.1137@2.3105702 1 1211 1 1 1 1 1 1576 1 1 1 1 1909 1789 1 1 2246 3131 1 1790 1363 1 1 1 1 1 1825 1560 1 1 1 1 1940 1812 2429 2509 1 2097 2243 1 4369 4068 1 1 1 1 1608 2054 1 1 1 2622 2152 2049 1 2087 1 1 1 1 2216 1 5101 4685 1984 1 1821 2020 1 1 3222 2841 1 1 1450 1 2510 1 14044 14095 1 1 2769 2693 1 2495 1 2109 1 1 281.1137 *281.114* 281.114@2.3582401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.114 *281.1177* 281.1177@1.4301537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3796 1 1 1 1 281.1177 *281.1272* 281.1272@2.0754995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1936 1 1 1 1 1 1 1 1 281.1272 *281.1316* 281.1316@2.0462105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1164 1 1 1 1 1 1 2154 1750 1 1 1850 1 1 1 1 1 2018 1 1 1 1 1 1 1437 1 3371 2341 1 1 1 1 1 1 1 1615 1 281.1316 *281.1527* 281.1527@2.1559172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19074 1071 1 1 1 1 1 1 1 1 1 1 281.1527 *281.153* 281.153@4.4856796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 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 3394 4407 1 1 1 1 281.153 *281.1549* 281.1549@1.2267668 1 1 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 2284 1 1 1 1 1 1 1 1 1107 1 1 1 1 1290 1311 1 1 1 1 281.1549 *281.1624* 281.1624@1.2174422 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1723 1 1 1308 1206 1210 1 1 1 1 1583 1 1 1 1487 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 281.1624 *281.1729* 281.1729@4.1153727 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1729 *281.1757* 281.1757@1.2131782 2250 1 1 1 1 1 1 1 1 1 1 1 1 1095 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1757 *281.1778* 281.1778@1.1914003 1159 1 1 1 1 1 1 1 1744 1532 1 1 1 1 1 1251 1 1 1347 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 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 281.1778 *281.1839* 281.1839@4.323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 281.1839 *281.1848* 281.1848@1.187821 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1055 1 1 1 1 1392 1 1 2021 1 1 1 1568 1 1 1 1 1870 1 1 1 1440 1 2089 1 1 1 1 1 1154 1 1 1 1 1 1456 1 1 1 1 1 1 1098 1 1 1 1 1050 1 1 1 1 1 1 2399 1 1 1 1 1929 1 2971 2754 1 1 1 1219 1 1616 1795 1 1 1 281.1848 *281.1903* 281.1903@1.1682248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 2259 1 1 1 1309 1217 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1650 1 1 1 1 1 1 1 1 1 1 1 1 3290 1794 1 1 1 1 1 1528 1 1357 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 281.1903 *281.1964* 281.1964@1.1976163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1964 *281.2* C12 H23 N7 O 1 1 5584 7120 1 1 1 1 1 1 3635 3096 1 1 1 1 1 1 1 1 1 1 2240 1063 3350 2485 2703 4549 1 1 1 1 1 1 1 1513 2779 2553 1 1 1 1 7045 6497 1 1 1 1 1 1 1 1 1 2223 2282 2307 1 3806 4590 5438 1 1 1 1 2504 1 1 1348 1 1 1 1 1 1552 1 1028 1 1 1 1 1 1487 1119 1725 1 1 1978 1991 2446 1 281.2 *281.2017* 281.2017@1.1785251 1 1 1 1 1 1 1 1 1 1 3045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 7019 1 1 1 1 1 1 1 1 1 3124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.2017 *281.203* 281.203@1.2008274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.203 *281.2118* 281.2118@1.1552538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.2118 *281.249* 281.249@1.0796067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 281.249 *281.2553* 281.2553@1.0975587 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 5345 1 1 1 1 1 1 1 1 1 2314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2734 2387 1 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 1 1 1 1 1 2238 2189 1 1 281.2553 *281.2692* 281.2692@1.117802 1 1 1 1 1 1 1 1 1 1 1120 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2564 1 1 1 1 1 4305 1 1 1 1411 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 1803 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 281.2692 *282.0759* 282.0759@3.0502791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 282.0759 *282.0769* 282.0769@3.054708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2000 2057 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 4154 4276 3413 2296 1 1 2209 2095 1 1 1 2795 2036 1 3705 4003 7693 7353 1 1 3337 3376 5828 6632 2211 1 282.0769 *282.0902* 282.0902@3.057362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1719 1 1 1 1 1 1 282.0902 *282.0968* 282.0968@2.5242615 6813 1 1 1 1 1 1 1 3594 1 1 1 4776 1 1 1 4674 1 1 8022 1 1 1 1 1178 2473 3148 1 1 1 1 1 4112 1 3560 1 1 3240 1 3371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6545 1 1 1 1 1 3387 3762 1 1 1 282.0968 *282.097* 1-Methylinosine 3811 11925 11210 12306 7793 7664 13459 12831 6374 9016 15232 16532 7827 12087 12879 11570 9290 15188 17878 9172 14508 16146 12867 14971 4865 6419 1 10832 1 7928 16129 18049 13231 17782 10398 14584 17877 17790 15433 12325 18738 18802 10933 10593 8433 10016 14980 13178 20276 19969 9757 9971 14989 14353 11841 10414 7647 7564 18172 18688 11005 19569 13122 12810 23926 23785 27026 30400 14397 12291 18794 19510 11350 10954 17921 16777 11089 11869 21562 15746 15132 15367 8975 10791 25803 22253 9186 12053 17240 15091 HMDB02721 282.097 *282.101* 282.101@3.073051 1 1 1 1 2234 3132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.101 *282.1043* 282.1043@3.0410476 1 1 1 1 3187 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.1043 *282.1056* 282.1056@1.1933668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13361 11532 1 1 1 1 282.1056 *282.1429* 282.1429@1.224076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 282.1429 *282.1586* 282.1586@1.2158831 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 4757 4143 3248 1 1 1 2447 1 2629 1 6897 4789 1 1 4273 1 1 1 1 1 1 1 5039 1 1 1 282.1586 *282.1596* 282.1596@5.1803465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5004 4025 3985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4298 4298 1 1 1 1 1 1 1 1 282.1596 *282.1628* 282.1628@1.2090356 1 1 1 1 1 1 1 1 1 2399 1 1 6049 3617 1 3019 1 4692 3507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2956 1 1 1 1 1 1 4469 1 1 1577 1 1 2469 3736 1 3842 1 1 4447 4586 1 1 4174 1 1 1 1 1 1 1 1 1 1 3953 1 1837 1 4165 1 1 1 1 3511 1 1 1 1 1 2745 1 1 1 1 1 1 1 282.1628 *282.1649* 282.1649@1.1739132 1 1 1 1 1 1 1 1 1 1 2559 1 1 1 2119 1 1 1 1 1 1 1068 3791 1 1 3681 1 2835 1 3665 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 2938 1 1 1 1 1 1 1 3346 1 4097 1 1 1 1 1 1 1 1 1 282.1649 *282.1677* 282.1677@3.632677 1 1 1 1 1 1 1 1 1 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 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 1 282.1677 *282.1681* C12 H26 O7 22280 85908 183322 184571 185353 180713 135312 130645 137383 144705 95492 94661 190765 197061 61745 62397 717506 719628 123110 126567 35196 33717 66277 67083 137999 124833 132921 130899 215972 208119 183889 187566 3452 23095 87955 86430 134657 133468 74364 75382 87966 87994 183039 188482 225250 214145 116835 124751 83265 82402 29261 38604 107430 103947 66519 14267 66956 52916 64726 66850 26825 145490 78335 87266 104461 101038 25793 4652 178206 197292 22991 170740 73007 15397 79249 77156 98178 93741 889395 889040 95165 109947 46386 28185 15757 84413 12912 51901 49844 11747 282.1681 *282.1681* 282.1681@2.6925616 11049 1 1 1 1 15085 1 1 1 1 1 1 10563 1 6102 6069 1 1 1 1 1585 1 1 1 1 8326 1 1 1 1 1 1 1 1 4870 1 1 1 1 1 1 1 1 1 1 1 7713 10587 1 1 1 3940 1 1 1 4928 1 17573 1 1262 9650 1 1 1 1 1 1 2198 15098 1 30990 1 1 9744 1 1 34237 27437 1 1 1 1 1 21246 8492 5880 6852 3250 12529 7304 282.1681 *282.1682* 282.1682@2.6460369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 282.1682 *282.1727* 282.1727@1.082942 1 1 1 2588 1 1 1 1774 2485 2103 1 1 2727 6857 1 1 1 2666 7152 3153 7960 8849 6972 3047 2592 1 1961 2429 1571 1 5428 4778 1 1 3372 1 1 1 6583 1 1 1 1 1 3129 1 4349 1 1 1 1 1 1 1 2913 1 2691 1 1 1545 2575 1 1 1 1 2295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2919 1 1 1 1 1 1 1 1 1 282.1727 *282.1783* 282.1783@1.072398 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 2489 1 1 1 1 1 1 1 1 282.1783 *282.1857* 282.1857@1.0897287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 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 1947 1 1 1 1 1 1 1 1 1 1 282.1857 *282.1919* 282.1919@3.4203854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13211 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 1 282.1919 *282.2257* 282.2257@1.765 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 282.2257 *282.2306* 282.2306@1.5231247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9879 1 1 1 1 1 1 1 1 1 1 282.2306 *282.243* 282.243@1.0479163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 282.243 *282.2516* 282.2516@1.0631801 1 1 1 1695 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 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 1 1 1 282.2516 *282.255* 282.255@2.9211006 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 2288 1 1661 1 3156 2682 1748 1095 1 1 1 1 1 1 282.255 *283.0506* C7 H14 Cl N5 O3 S 2578 2396 2533 2622 2850 2470 2615 2679 2603 2922 2499 2472 2457 2640 3258 3306 2576 2702 3119 3086 2911 2976 2912 2913 2379 2219 2503 2855 2629 2426 2613 3047 3268 3007 2631 2825 2328 2538 3109 3460 1 2863 2887 3109 2800 2611 2381 2647 2492 2489 3240 3870 3262 3273 3301 3157 2896 3166 2827 2741 4986 4716 3490 3126 4280 3944 3980 3632 3061 3288 4760 4399 2979 3320 3972 3939 4524 4442 4099 4455 4409 4725 4224 4085 4535 4173 4217 4303 4509 4142 283.0506 *283.0919* 283.0919@2.4462287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.0919 *283.0983* 283.0983@2.4413931 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 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 4016 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 283.0983 *283.1064* 283.1064@1.9929414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 283.1064 *283.1071* 283.1071@1.6001443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1071 *283.1337* 283.1337@1.2046725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1811 1 1 1 1 2012 1926 1 1 1 1 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 1 1 1 1 1 1 2294 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1337 *283.1416* 283.1416@1.180754 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1416 *283.1509* 283.1509@1.203313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1509 *283.1637* 283.1637@1.3236966 1 1 6701 5338 1 1 1 1 1 1 2114 1 1 1175 1 1 1 1 1 1 1 1 1 1 3033 2454 1 3001 1 1 4285 4387 1 1 2032 1 1581 2128 1 1 1 1 1 1 6085 5455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2357 1441 1 1755 1 1 1 1 1 3644 2110 3927 1 1 1 1 5327 5403 1 1 1812 1 1 1 1 1 1 1 1 1 283.1637 *283.1642* 283.1642@1.4946417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1642 *283.1685* 283.1685@1.2061199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3055 1 1 1 1 1 283.1685 *283.1705* 283.1705@2.589422 1 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 1 2262 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 1 1 1 1 1 1 1 1 1 1 1 1 2827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1705 *283.1706* 283.1706@1.1803722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 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 1201 1 1 1 2212 1 1 1 1 283.1706 *283.1723* 283.1723@2.6501994 2898 1 1 1 1 1 1 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 4762 1 1 1 1 1 1 1 2373 1 1 1 1 1 1 9018 1 1 1 1 1 1 1 1564 6298 1 1 1 1 1 5391 1 1 1 1 1 1 1 1 1 1 3536 1 1 1 1 2189 18248 1 9001 1 1 1 1 5765 1 1 1 1 1 283.1723 *283.1786* 283.1786@4.5300293 118511 119692 1 1 25674 24843 1 1 1 1 44246 44349 1 1 1 1 1 1 49628 49464 1 1 1 1 1 1 1 1 1 1 11891 12055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65789 63991 43494 42900 115199 115816 1 1 1 1 42796 41696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68839 68355 1 1 95638 97361 1 1 283.1786 *283.1842* 283.1842@1.1382401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 283.1842 *283.1859* 283.1859@1.2077582 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.1859 *283.196* 283.196@1.1471435 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 2726 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1903 283.196 *283.2009* 283.2009@1.1857218 1 1 1 1 1 1 1 1 1 1 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1633 3288 3321 1 1 1 1 1 1 1 1 1 3415 1 1 1 1 1102 1 1 4298 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 1 283.2009 *283.2087* 283.2087@1.1453383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3615 1 1 1 1 1 1 1 3332 1907 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 1 283.2087 *283.2134* 283.2134@1.0468172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.2134 *283.3173* 283.3173@4.412043 1412 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.3173 *283.3234* 283.3234@4.0584836 1 1 1 1 1 1472 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1 14185 13000 1 1 1 1 1 1 1 1 1 1 2506 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 1 283.3234 *284.0723* Diazepam 44493 42331 33848 34116 15285 16487 19476 19978 40899 40464 32309 31616 30279 30291 50885 48943 34270 36198 28616 25737 30506 27944 29707 30705 38362 38881 33338 34122 22294 24433 32854 33388 1100 3984 27814 28172 41040 43526 37128 34160 24128 25743 17107 16438 37182 36956 35835 35898 30296 30645 36280 33750 37667 37142 41397 40356 31307 32486 32873 30639 48640 49118 31025 31741 39100 39173 30971 34278 37230 38451 63436 59698 20258 20829 32209 33678 47774 50020 25484 27668 45373 43611 24037 27127 35883 36170 35716 35891 28384 30202 C06948 284.0723 *284.0724* 284.0724@2.0334005 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1327 1017 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 284.0724 *284.0755* 284.0755@2.956863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2481 2567 1 1 1 1 1 1 1 1 4320 4108 1 1 1 1 1 1 1 1 7582 7451 1 1 1 1 5100 5437 4640 4787 5803 5867 4722 4925 7561 7522 2841 3118 1 1 284.0755 *284.094* 6-Formylindolo [3,2-B] carbazole 7684 8276 3943 3500 1940 1737 14302 14838 5675 5769 3055 3078 5511 5586 31009 31130 12739 10922 35176 36258 10742 10851 9923 10096 2811 3650 8433 8780 9676 10956 1169 1113 12692 11985 1 1 18433 18544 1736 1629 14909 15848 10357 9211 1 1 12601 12754 2453 2606 4990 5072 12820 12368 7839 8541 1 1 10949 11166 1536 1736 6899 6543 3053 3017 11463 10435 2532 1864 5091 5750 4692 3850 4252 3819 3636 4702 1974 2392 5217 5599 1 1 1640 1696 13423 12999 1 1 284.094 *284.1169* 284.1169@1.1174331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9245 9380 1 1 1 1 284.1169 *284.1219* 284.1219@6.951295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1051 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1219 *284.1225* 284.1225@1.1614186 1 1 1 1 1 1 1 1 1 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 1 284.1225 *284.1269* 284.1269@1.6951244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1269 *284.1287* C19 H21 Cl 1 2971 1 1 1 1 1332 1057 1 1 1 1 1 1 1806 1 1 1 1741 1 1 1 1 1 1053 1 1 1 1195 1 3116 4042 2171 1 2004 2503 1 1 6710 1 1699 2025 1 1052 1670 1913 2321 2597 1 1434 1946 1 2513 2205 2208 2133 1 1 2185 1806 3302 2715 1527 1 3395 2420 1 1695 1 1 1 1877 2020 1520 1411 1309 1967 1378 1 1 1 1 1 1 1 1 1569 2069 1 3499 284.1287 *284.1356* 284.1356@1.159453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 284.1356 *284.1384* 284.1384@1.1712912 1 1 1 1 1 1395 1 1 1 1094 1379 1 1112 1 1 1417 1 1 1 1 1 1 1 1 1 1094 1178 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 1389 1 1 1 1 2135 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 3225 1 1 1 1467 1 1 1 1 1 1 284.1384 *284.1577* 284.1577@1.1895648 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 284.1577 *284.1628* 284.1628@1.2066205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 284.1628 *284.173* 284.173@2.59 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 284.173 *284.173* 284.173@1.2126567 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 284.173 *284.1886* 284.1886@1.2065544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1831 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.1886 *284.2003* 284.2003@1.0683975 1 1 1 1 1 1 2662 1 2154 1743 1 1 1 1 1 1 1 1 1 1 1 1 2574 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 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2987 3095 1 1 1 2462 1 1 1 1 1 1 284.2003 *284.2076* 284.2076@1.0445544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9083 1 1 1 1 1 1 1 1 1 2101 3037 1 1 1 1 1 1 1 1 1 1 4853 4871 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 2331 2944 2206 1 1 1 1 1 1 1 284.2076 *284.2159* 284.2159@1.0488211 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 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 284.2159 *284.2229* 284.2229@1.0459186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2229 *284.234* 284.234@1.0770023 2266 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 2454 1 1 1 1 1 1 1 1 1 1727 1 1 1 1 1 1 1 1 1 1 1 1371 1 1567 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3860 3715 1787 1 1 1 1 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.234 *284.2372* 284.2372@1.2377231 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2372 *284.2438* 284.2438@1.2381473 1 1 1337 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1251 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2438 *284.2492* 284.2492@4.6085424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3306 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2492 *284.2829* 284.2829@4.5236464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.2829 *285.0672* 285.0672@1.2118478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12064 12641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0672 *285.0691* 7-Aminoclonazepam 193522 194621 154366 154502 68768 73549 91099 87853 188276 182271 145003 141045 137265 137703 229470 225852 155279 164356 122348 118521 131985 130187 134085 135005 173000 177792 147273 153084 100472 112236 142372 151313 13146 14237 121168 117132 172787 186924 166709 150746 104944 108742 75082 70599 159665 165323 155137 156496 132533 134160 161847 151416 164633 168937 186867 180768 138436 137608 141526 140503 221665 227030 140050 135603 170635 173854 136043 144783 169140 168897 272152 276761 90242 85416 140923 148516 218553 219154 106252 107480 204139 196844 104540 118458 151832 153549 162360 159771 120550 129720 285.0691 *285.0795* 285.0795@2.1443195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0795 *285.0856* 285.0856@2.1717367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0856 *285.0926* C10 H23 N O2 S3 13616 4654 8385 18451 1 1 1 1 1 1 13587 5438 1 1 9916 13368 1 1 1 1 1 1 1 1 6815 1 1 1 1 1 16033 1 1 1 11444 3906 17381 5991 9385 4469 1 1 2368 5356 6634 3867 1 12956 1 1 1 5537 7035 18206 8869 12535 12958 1 1 1 4269 1 6546 1 8024 4030 1 1 4328 1 17614 17452 1 1 1 4303 4665 9765 1 5221 1 20309 1 3791 1 1 12999 1 8911 7877 285.0926 *285.0939* C15 H15 N3 O S 1 5900 9498 1 15361 16514 14237 14266 12593 5719 4818 15434 9612 13444 1 1 15163 15562 7366 19189 31155 28641 28663 27597 1 2361 17083 18229 8931 6687 4086 19761 34727 35070 4958 11711 1 12140 1 8535 13577 14054 6547 3496 1 3431 8202 1 28368 28090 19160 12942 11294 1 3965 1 1 10657 1 4856 1 1 10111 13152 1 3784 33741 28755 12308 13707 1 1 1 11144 16106 11424 5380 1 14042 12031 18469 1 10584 6754 31831 29331 1 18145 1 1 285.0939 *285.0969* 285.0969@2.2546992 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 2875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0969 *285.0989* 285.0989@2.9473076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.0989 *285.1063* 285.1063@2.8172584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2176 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 1 285.1063 *285.1078* 285.1078@3.94653 1 1 1 1 1 1 1 1 1 1 1 1 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 2089 2170 1 1 1 1 1 1 1 1 1 1 1 1 1750 1566 1 1 1506 1 285.1078 *285.1145* 285.1145@7.316239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6151 1918 3380 3711 1 1 9414 9148 1 1 1 1 1 1 1 1 1 1 3683 4309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1145 *285.115* 285.115@4.6838655 1 1 2524 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 1 1 1 1 1 1 1 1 1 1 7912 8696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.115 *285.1218* 285.1218@7.0854983 1 1 1 1 1435 1553 1197 1 1 1 1 1 1 1 1 1 1 1 1261 1183 1 1 1 1 1 1 2257 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 1097 1306 1366 1702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23887 21959 1 1 1 1 285.1218 *285.1372* Hydromorphone 1 1 1 1 1 1 1 1 1 9284 30043 29526 1 1 1 1 1 1 1 10510 1 1 1 1 10828 11145 19657 19896 25921 25040 1 1 11877 1 1 1 1 1 1 1 24901 24031 28629 26587 16292 15128 9321 8967 1 1 1 1 19901 17053 17134 17023 1 1 29618 29066 13046 13111 1 1 19640 19264 1 1 1 1 2868 1 24550 25324 1 1 1 1 1 1 1 1 34131 33654 42549 42210 53965 55595 1 1 C07042 285.1372 *285.1399* C14 H23 N O3 S 4215 4637 1 2450 10101 11365 3610 5358 8795 1 1 1 5072 4649 7996 8714 5082 4462 11166 1 1 1 6137 6005 1 1 1 1 1 1 1 1 1 11643 5074 4929 4888 5818 3468 5459 1 1 1 1 1 1 1 1 1 1 3158 2448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5646 6818 1 2764 1 1 5152 5464 2117 2548 6614 7923 2561 3012 1 1 1 1 1 1 1 1 285.1399 *285.1412* 285.1412@4.9179006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4565 2962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3122 6812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1412 *285.1416* 285.1416@4.9039707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2996 3936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1416 *285.1687* 285.1687@1.1489542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 285.1687 *285.1752* 285.1752@1.164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 285.1752 *285.1772* 285.1772@2.8966465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2283 1 1 1 1 1 1 1 1 1 1 285.1772 *285.1787* 285.1787@1.8145306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5198 4960 1 1 1 1 1 1 1 1 1 1 285.1787 *285.1833* 285.1833@1.1517255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1833 *285.1882* 285.1882@1.1614332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1193 1 4422 3078 1 1 1 1 1 1 1 1 1484 1 1 1604 1 1 1 1 1 2194 1 1 1 1 1 1 1 1 3469 3324 8243 1 1 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 1 1 1 1 1 1 1743 1 3170 2286 285.1882 *285.1911* 285.1911@1.2042408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1911 *285.1941* C16 H23 N5 1 1 2746 2331 5002 4813 3582 2791 1 1 1939 2247 3443 3135 1237 1 8757 8944 6030 6682 4707 4752 2469 2585 1 1 5392 5411 1 1 3975 2775 6421 6014 1 1 1901 2107 2973 1018 1309 1512 4095 3411 7753 7172 2195 2499 1164 1 1 1 2774 2368 1 1 1 1 1450 1392 4098 3624 1 1 5733 4855 10047 10446 2523 2431 6019 6612 2019 2994 6200 6559 2111 2433 3043 2916 3698 3837 1840 2658 4770 5081 8683 8325 1933 2045 285.1941 *285.1941* 285.1941@1.2774754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2177 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1941 *285.1946* 285.1946@6.269821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1946 *285.1962* 285.1962@3.5592217 1 1 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 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1962 *285.2072* 285.2072@1.2021943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1083 1 1 1 1 1 1 1599 1 1 285.2072 *285.2112* 285.2112@2.0736303 2982 1 1821 1 1 1 1 1 1 1 1 1 1491 1 2395 1 1338 1 1 1 1 1547 1 2074 1 1 1 2265 1 1 1 1 1 1 1225 1 1549 1304 1315 1 1 1341 1 1 1 1 1534 1 1 1 1 1 2363 1 1 1926 1904 1 1 1 1052 1327 1935 1 1 1 1 1 2332 1 3929 2832 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 285.2112 *285.2136* 285.2136@1.1994792 1 1 1 1 1 1 1 1 1 1 3583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3845 4103 1 1 1 1 1 1 1 1350 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 1089 1 1 1 1 1 1 1 285.2136 *285.2158* 285.2158@2.064509 1 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 1111 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 1479 1578 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 1 285.2158 *285.2199* 285.2199@1.1796215 1 1 1 1814 1 1 1 1 1 1 1 5832 1 1 1 1223 1 1 1 1 1 1 1 1 2362 2535 1 1 1 1 1 1 1426 1418 2816 1 6620 1 1 1 1 1 1851 1960 1 14196 1 1 1 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 285.2199 *285.2279* 285.2279@1.1347042 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1064 1 1 1 2618 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.2279 *285.2291* 285.2291@1.4676981 3089 2802 1 1 3207 2977 5063 5159 2095 2750 2361 2321 4283 4182 2377 2288 2250 2185 4846 4494 2784 2569 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 1 2081 2123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.2291 *285.2675* 285.2675@4.018948 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1 1 1 1 8647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.2675 *285.2683* 285.2683@4.0371842 1 1 1 1 1 1 1 1 1 1 1 1 1394 2115 5241 4632 1 1 12210 4792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2580 2688 1319 1 1 2101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 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 1 1 285.2683 *285.2758* 285.2758@4.0762014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 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 1 285.2758 *286.0516* 286.0516@1.1590255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8079 7741 286.0516 *286.0793* 286.0793@2.1453204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0793 *286.0895* 286.0895@2.5135713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1 1 1 1 1 1 1 1 286.0895 *286.0972* 286.0972@2.1899996 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1995 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 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1421 1 1 1717 1 1 1 1 1694 1 1 1 1 1 1 1 1 1 1146 2401 1 1 1 286.0972 *286.1028* 286.1028@2.163975 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 1 1 1 1 1 1 1 1 1 1 1 1 286.1028 *286.113* 286.113@3.4669466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1818 1 1 1 1 1 1 1 1 1 1 286.113 *286.1248* 286.1248@4.148632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2043 2107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1248 *286.1287* 286.1287@1.2180248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 286.1287 *286.1438* 286.1438@1.0971727 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 286.1438 *286.1685* 286.1685@4.281249 1 1 1 1 1962 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1778 1 1 1 1 1 1 1 1 1 1 286.1685 *286.1693* 286.1693@1.1136502 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1359 1 1 1 1 1 1 1 1 1 1 286.1693 *286.176* 286.176@1.0688821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 286.176 *286.1837* 286.1837@1.158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 286.1837 *286.1852* 286.1852@1.0705558 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2476 1966 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 1 1 1 1 1 286.1852 *286.1874* 286.1874@6.748159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1874 *286.1899* 286.1899@1.0673877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1634 1 1 1 1 1 1 286.1899 *286.1986* 286.1986@1.0487074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 286.1986 *286.2054* 286.2054@1.0773298 1 1 1756 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 2889 1 1 1 1 1 1 1 1422 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 1 286.2054 *286.2128* 286.2128@1.0368203 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.2128 *286.2248* 286.2248@1.6236355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1274 1421 1 1 1 1 1 1 1 1 1 1 1 1 286.2248 *287.0706* 287.0706@2.112013 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 287.0706 *287.0855* 287.0855@2.2798357 1 1 1 1953 1 1 2008 1217 1 1977 2271 2032 1 1 1 1 1 1661 4311 3100 1749 1 1 1 1 1 1732 1830 1 1 1 2072 1 2390 1741 1439 2658 2172 1 1 1 2193 1 1 1 1 2340 2035 1 1 2261 1 2951 2703 1803 1091 1 1 3473 3571 3649 1673 3316 3506 4111 2408 1116 3473 4989 5080 4197 3865 1 1 1939 1 2660 2682 5429 6343 3538 3071 1 1 1 4965 2619 2273 2705 2105 287.0855 *287.1146* 287.1146@4.8082237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2086 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.1146 *287.1535* 287.1535@4.7993417 1 1 459115 463432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426937 417807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.1535 *287.1539* 287.1539@1.141723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1907 1 3392 3139 1 1 287.1539 *287.1646* 287.1646@1.1173741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 287.1646 *287.2138* 287.2138@1.0748792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38691 37803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2138 *287.217* C10 H25 N9 O 1 1 2388 2491 2227 2073 1968 2029 1 1 1 1 3535 3763 3242 3061 2789 3049 3310 3896 1 1 1 1 1 1 2637 1949 1 1 3491 3271 3978 4250 1 1 1 1 5426 5449 1 1 3079 3945 1 1 1 1 1 1 1 1 2033 2303 1 1 1 1 1 1 1 2339 2443 1 3889 3660 1 1 1 1 1 1 4107 3128 1 1 2095 1 1 1 1 1 1 2780 1 1 4323 3974 1 1 287.217 *287.2243* 287.2243@6.138474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2243 *287.2376* 287.2376@1.0733144 1 1 10734 11762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8658 12463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2376 *287.245* 287.245@1.2038013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6579 1 1 5989 1 1 5615 1 1 1 5676 1 1 1 1 1 1 1 1 5658 1 1 5440 1 1 1 7049 1 1 1 1 1 1 1 1 1 1 6580 1 1 1 1 1 1 1 4937 1 1 1 1 1 1 1 1 1 5290 4686 1 1 1 1 1 1 1 4972 1 1 1 51932 1 287.245 *287.2454* 287.2454@2.2479942 1 1 1 1 1 1 1 1 1 1 8014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19191 1 1 1 1 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 1 1 4927 1 1 1 1 1 1 1 1 1 1 1 1 3629 1 1 1 1 1 3819 1 1 1 1 1 287.2454 *287.2454* 287.2454@1.1601523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2454 *287.2455* C16 H33 N O3 + 2.0465145 20352 23708 22215 24832 19619 14889 19539 19330 25943 25396 17537 18722 21008 19299 22330 25826 21112 20650 4885 19265 18127 21337 19243 15438 19644 21385 23290 17724 18214 17536 18397 21305 13590 15832 17857 17720 23784 25421 13933 21872 16299 15238 20865 18009 17698 19996 20950 20542 21957 18607 14705 13544 17974 16755 22798 21194 17263 18779 17215 18505 8670 12413 20726 19418 22650 22738 27580 24518 23280 22063 23836 26883 20612 18527 16950 18837 22733 24381 13297 18728 25228 24881 18259 21935 21495 24069 25928 5719 19169 17856 287.2455 *287.2456* 287.2456@0.7147287 5202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23289 1 1 1 1 1 22431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10763 1 1 1 1 1 1 1 16344 18219 1 5415 1 1 1 1 1 1 1 12652 16100 1 9265 9281 1 1 1 1 1 2438 1 1 9207 287.2456 *287.2456* 3-keto palmitic acid 6079 4939 1 1 5189 6334 6738 7998 4891 1 8118 1 1 5293 6608 3055 1 5025 1 1 7293 1 1 8354 1 3887 8855 4131 1 8825 1 1 1 1 1 1 1 1 1 8874 1 7367 8045 7665 1 1 7265 5403 1 1 1 1 1 4364 1 1 1 6402 1 7785 7738 7455 8042 4797 7539 6418 1 1 4693 1 1 1 8025 1 7017 7430 6665 1 8683 1 3777 7323 1 1 7434 6318 8189 1 8221 1 287.2456 *287.2457* C16 H33 N O3 + 1.206839 40348 42481 56878 54750 34481 34905 40953 40283 39289 40760 25255 24310 39969 41446 56728 57246 33670 25487 46332 41049 33814 47139 36235 36560 43863 44058 31663 31667 44032 43500 40747 41958 36657 37466 41647 41091 40404 42331 50712 59572 43883 40574 47952 53331 19366 23481 40546 38196 39704 44329 53278 52361 43969 45090 28462 34796 32403 35988 45281 42636 36023 33159 39302 37244 39845 40826 37131 35412 312558 309450 38232 37383 32410 28522 39567 32194 37316 34962 33875 29175 51196 67553 51379 57304 52998 41447 42647 42571 3879 50950 287.2457 *287.2457* 287.2457@1.5579259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41397 1 1 1 21894 1 1 1 1 1 8630 1 1 1 1 1 11168 1 1 1 1 1 1 1 3969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13796 1 13735 1 26697 17740 1 1 1 1 1 6086 1 1 1 1 287.2457 *287.2457* 287.2457@0.7782692 1 1 1 1 1 1 1 1 1 1 30667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17833 1 1 1 1 1 1 1 1 1 1 14901 14714 1 1 1 1 1 1 1 1 1 1 1 1 287.2457 *287.2458* C16 H33 N O3 10393 1 22392 20510 1 12161 1 37975 8632 12563 9604 29241 17201 13168 12173 15552 1 13189 20416 20322 20671 6129 1 4522 12340 17204 21858 21120 17143 19791 22214 21057 31273 14758 1 1 15554 16728 13685 18723 18750 15585 26783 22174 13715 1 18581 13896 1 10777 14382 1 18562 15186 1 1 11410 5935 14332 28548 24742 28802 12938 18303 34606 13467 41202 32940 15943 22375 23053 18029 10767 15567 15881 12109 29984 25969 29169 30131 28574 23674 1 14060 25832 24904 29822 35045 37072 32749 287.2458 *287.2458* C16 H33 N O3 + 0.9876156 16195 7744 18638 9420 8354 9253 8624 6717 7134 7570 6452 21515 11149 7515 18256 5014 8292 8620 6920 16875 18409 1 1 11896 13037 17336 9848 8570 8290 16422 17635 18905 6803 1 8116 8228 7433 7178 1 18884 6396 15860 17282 14558 7403 7063 19653 8309 1 1 7546 1 6100 10959 1 6949 1 11128 7260 16615 18570 13788 11119 7402 15904 4483 6344 6939 16300 20518 12388 12614 17622 8044 15431 12216 10834 7556 29059 6838 6620 13632 7558 8115 13303 16711 22059 19751 9845 7928 287.2458 *287.2458* 287.2458@1.4196141 1 1 1 19131 34519 1 22497 1 11118 1 28233 21249 1 25723 1 1 11259 1 1 1 31978 1 7927 1 1 14906 16643 1 28337 1 28709 1 1 1 1 1 1 31351 1 1 1 1 1 1 1 6013 11727 6785 1 1 40638 1 1 1 9453 9270 1 1 34956 1 1 1 1 1 1 1 1 1 1 1 47695 14557 43213 1 7373 1 25572 13321 1 24360 6413 17104 1 1 21442 12269 1 16329 1 1 287.2458 *287.2459* C16 H33 N O3 + 2.8777232 30804 35774 30215 37939 37605 36081 35014 1 44976 44593 38338 38916 3135 44819 30422 32162 29943 39933 37685 30020 26996 36701 45926 35956 38017 41133 26950 18463 1 1 1 26436 24791 25945 29433 35263 34269 31897 33690 28577 24678 34718 42588 1 38429 38364 7671 37090 1 38944 43833 40975 1 1 28050 35015 36516 23246 25981 1 1 40165 29840 25163 40491 29412 1 1 32219 32512 1 19699 34491 42657 39298 38640 47749 22709 1 30614 51917 54700 1 1 1 1 17112 38938 1 28004 287.2459 *287.2459* 287.2459@2.8683648 1 1 1 1 1 1 1 1 1 1 1 1 35354 1 1 1 9522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28925 1 1 1 1 1 1 1 1 1 1 1 10155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21332 1 1 1 1 1 1 1 1 1 1 1 1 287.2459 *287.246* 287.246@3.4078255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9620 1 1 1 1 5438 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 287.246 *287.2463* 287.2463@1.9447556 1 3648 1 1 4152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2463 *287.2467* 287.2467@4.2075152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13408 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 12686 1 1 1 1 1 1 1 1 1 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 1 1 1 287.2467 *287.2472* 287.2472@4.1545177 1 1 17252 16734 18193 1 1 1 1 1 1 1 8446 1 1 8804 1 1 1 6659 9276 3161 1 4107 1 11312 1 1 1 1 9397 1 1 1 16398 1 1 8600 1 1 8339 1 9064 11722 1 1 1 14569 1 10790 1 4463 1 8324 1 1 10374 14156 1 1 1 17428 1 1 1 1 18726 1 1 9870 1 7000 1 1 7227 4627 5270 1 1 1 1 1 9358 1 1 13203 9073 8225 1 18408 287.2472 *287.2579* 287.2579@3.956031 1 1 1 1 1 1 19475 1 1 1 1 1 5787 1 1 1 1 1 4210 1 1 7323 1 1 1 1 1 1 1 1 2826 1 1 1 1 1 1 1 1 10286 1 1 1 1 1 1 1 1 1 1 1 6299 8787 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 6362 1 1 1 1 1 5134 5608 1 1 287.2579 *287.2605* 287.2605@3.9232743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2605 *287.2682* 287.2682@4.091423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9707 1 1 1 1 1 1 1 1 1 1 1 1 6892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31111 31329 24117 13542 1 1 1 1 1 1 1 1 1 1 9702 13804 1 1 1 1 1 1 287.2682 *287.2685* 287.2685@4.227489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2685 *287.2758* 287.2758@3.9666927 1 1 1 1 1 1 1 1 1 1 1 1 1 11524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9718 1 1 1 11280 1 1 1 1 1 1 9482 1 1 1 1 1 1 1 1 1 10990 1 1 1 1 1 1 1 1 1 1 17503 1 1 1 1 1 1 12029 1 1 1 1 1 1 1 1 18141 15502 1 1 287.2758 *287.2802* C17 Sphinganine 14825 12122 14113 32108 45514 41922 24609 18378 43339 39390 25812 29636 49132 29104 39350 39729 34788 38628 43889 43525 35897 43348 23755 32075 21180 32592 40016 35983 46999 35918 49257 47316 46464 41734 16321 18926 12359 9881 27003 34456 47954 48360 31203 31454 15691 21930 19946 8336 34346 29899 53122 59705 42929 35895 25223 40952 2847 1 28618 25208 49653 16751 48099 38023 44059 31288 34319 24888 28310 21047 22609 34374 26167 27996 9756 11936 19043 1 23141 29700 27459 37938 60144 50523 4088 5115 16683 20421 14410 12184 287.2802 *287.2828* 287.2828@4.166581 1 1 1 1 1 9108 1 1 87195 87228 1 1 314595 7167 289782 286759 1 1 958600 969177 98628 100160 11584 1 1 1 1 1 1 1 23318 1 1 1 1 1 120121 122081 282531 286606 30916 552287 34095 34509 1 1 1 14700 34597 34643 1 1 17378 16046 14109 1 1 1 474839 472882 1 1 1 1 1 1 1 1 30341 30427 3940 2575 1 1 1 1 17511 1 1 1 14634 1 1 1 1 1 131995 136926 1 1 287.2828 *287.2833* 287.2833@4.2253876 1 1 1 1 1 1 1 1 1 1 1 1 1 303396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.2833 *287.8038* 287.8038@4.233585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.8038 *287.816* 287.816@4.217061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.816 *287.8627* 287.8627@4.2373123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 287.8627 *288.0404* C5 H13 Cl N6 O4 S 16193 16825 19054 17713 16378 16709 16126 16147 17744 17778 18946 12396 17718 17494 15840 14730 15329 14953 19721 20654 15523 15138 16794 16922 16581 17719 18663 18466 15623 15763 18129 19208 20315 19757 17800 17460 19749 19290 20187 18273 10117 15930 18664 17673 16678 16363 16009 16421 16515 16098 6261 14071 15542 9817 13628 13478 4008 16760 10343 9631 15757 5611 17061 15677 14889 9502 6708 14551 19941 19494 7614 11697 14718 14964 14592 14126 16010 17141 13684 13730 11042 11280 9197 13454 17285 15103 4956 14850 15656 15251 288.0404 *288.0407* 288.0407@4.037389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7935 1 1 1 1 1 11980 1 1 1 1 1 1 1 1 3889 2672 1 1 1 4268 3637 1 1 1 1 1 1 1 1 1 4451 1 1 1 3219 10640 1 1 1 288.0407 *288.0637* 288.0637@2.1111236 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 2027 1 1 1 3378 1390 1 1 1698 2221 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0637 *288.0663* 288.0663@2.1431909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0663 *288.0734* 288.0734@2.1586564 1 1 1 1 1 1 1 1 2132 1 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 3631 1938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2624 1 1 1 1 5434 1 1 1 1 1 1 1 2914 3951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 288.0734 *288.0759* METHOXYVONE 1499 1414 2153 2913 1601 1 1848 1 1 2495 2149 4181 1302 2330 1568 1 1984 1 3050 3074 2780 2909 1 2188 1 1 3501 3437 1198 1564 3006 2861 2006 1726 1 1764 1 1 1 1 2130 2583 1 1 1203 1 1 1 2846 3181 2797 2762 1 3458 1653 1 1 1858 1477 1 3790 1 2285 2168 2215 2182 8000 7122 1 1 1 5546 1 1 2489 2265 2817 2701 3095 2732 2854 3342 2825 3027 5022 4537 2777 4260 3392 3010 288.0759 *288.0942* 288.0942@1.4211504 1 1 7260 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0942 *288.0966* 288.0966@4.2895975 1 1 1834 1522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20795 21024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.0966 *288.1153* 288.1153@1.6540797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2039 1 1 1 1 1 1 1 1 1 1 288.1153 *288.1503* 288.1503@4.9962893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3063 1 1 1 1 288.1503 *288.1506* 288.1506@5.066171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 288.1506 *288.1519* 288.1519@1.2097903 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1519 *288.1669* 288.1669@4.9040966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1267 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.1669 *288.172* 288.172@4.92233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 288.172 *288.2191* 288.2191@1.0582601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5720 1 1 1 1 1 1 288.2191 *288.2203* 288.2203@1.0571452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4413 3626 1 1 1 1 1 1 1 1 1 1895 1 1 1681 1 1 1 1 1 1 1 288.2203 *288.2324* 288.2324@1.0545111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 288.2324 *288.2397* 288.2397@1.0566758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 288.2397 *288.247* 288.247@0.9696427 1 1 5243 4857 1544 1 2664 1 1 1 1 1 1 1 1 1 2418 1 1585 1 1 1 1273 1 1 1 1 1426 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 1 1 1 1 1 1 1 1 2426 1 1 1 1 1 4852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 288.247 *288.2477* 288.2477@3.5610538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2477 *288.2484* 288.2484@2.0753162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2484 *288.2497* 288.2497@2.90497 1 1 1319 1 1144 1 1 1920 1 1 1 2072 1 1 1 1 1 2036 3168 1 1 1 1 1 1 1 1 1 1 5986 1 1542 1 1 1064 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4728 2759 1 5305 1 1 1 1 1 1 6659 1 1 1 1 1 1 1 1 1 1 1 2420 1 6463 7669 5259 1 1 1 288.2497 *288.2497* 288.2497@1.4681065 1005 1 1 1 1 1 1 1 1249 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 1 1246 1 1 1 1 1 1 1 1 2007 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1749 1 1 1 1 3530 1 1 1 1 288.2497 *288.2499* 288.2499@0.7283715 1 1 1 1 1 1 1 1 1 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 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2499 *288.2499* 288.2499@2.986881 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 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 288.2499 *288.2502* 288.2502@0.82553554 1082 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 1 1052 1 1 1 1 1 1 1 1 1 1092 1 1045 1 5187 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 3615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2502 *288.2517* 288.2517@1.7614583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2517 *288.2595* C19 H32 N2 4808 4953 1 1 5585 5914 4685 5391 6678 5391 5167 4340 5381 4756 5976 4564 4678 4653 4240 4820 1 5851 5187 4787 1 1 5913 4891 5775 5622 6820 7052 1 3129 4384 3366 4632 5135 4391 4848 1 3233 4098 3996 4840 3766 3154 5254 5441 4105 8790 8066 6491 9134 2664 3178 2964 3501 3269 3898 5462 7849 5383 2917 3501 4531 5895 6239 4621 3434 1 1 5506 5861 3441 5207 3918 4465 6736 5311 6225 6263 10033 13025 3667 3227 6106 6958 4228 4541 288.2595 *288.2641* 288.2641@1.0841616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 288.2641 *288.2762* 288.2762@3.9666007 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2325 1 1 1 1 1 1 1 1 288.2762 *288.2825* 288.2825@3.9788485 1 1 3952 1 1 1 1 3545 1 1 4289 1 1 1 1 7456 1 1 1210 1 1565 1 1 2845 4736 1 1 2658 1 1 1 1361 1 1 1 1 2777 1 1 1 1 1 1 1 1 1515 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1836 5889 1 2745 1 1 1 1 1 1 1 1 1 1 1 1034 1 5097 1 1 1 3111 1 1 1 1 1 1 1 1 288.2825 *289.0283* C10 H12 Cl N3 O3 S 3442 3030 2950 3205 1920 1961 2484 2284 3251 3361 2655 3019 2916 3054 3556 3984 3446 2942 2534 2884 2569 2643 3138 3048 3043 2712 2935 2227 2919 2598 2843 2623 1265 1 1835 2294 3367 3434 2589 3234 2299 2408 1363 1546 2747 3073 2125 2701 2787 2855 2373 2461 2532 2767 2910 2908 2023 2315 2914 2067 2380 2593 1957 1573 2470 2421 1 1707 2519 2997 2045 2379 1703 1721 2152 1761 1949 2122 1667 1731 2490 2209 2013 1643 1880 1829 2564 2130 2049 1735 289.0283 *289.0583* 289.0583@1.4318786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 289.0583 *289.0641* 289.0641@1.4322584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.0641 *289.0952* 289.0952@1.4235666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 289.0952 *289.1333* 289.1333@5.5076146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.1333 *289.1368* 289.1368@1.1691945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.1368 *289.1427* 289.1427@1.1727066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 289.1427 *289.1541* 289.1541@7.178859 1 1 1 1 1 1 1287 1478 1 1 1601 1384 1 1 1 1 1 1 1706 1506 1 1 1 1 1 1182 1333 1472 1287 1292 1668 1580 1141 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1475 1736 1 1 1 1 1 1 1 1 1215 1 1 1 1 1059 1268 1085 1 1 1674 1647 1 1 1 1 1907 1895 1 1149 1510 1485 1 1 1328 1373 2485 2371 1006 1 289.1541 *289.155* 289.155@6.6061754 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.155 *289.1662* 289.1662@4.208892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2582 1 1 1 1 1 1 289.1662 *289.1932* 289.1932@1.2001692 1 1 1 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 2255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.1932 *289.2043* 289.2043@1.1986824 1 1 1 1 1 1 1 1 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 1615 1839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.2043 *289.2211* 289.2211@1.0811504 1 1 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.2211 *289.2284* 289.2284@1.0835066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 289.2284 *289.2383* 289.2383@1.0840263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 289.2383 *289.2457* 289.2457@1.1054393 1 1 1 1 1 1 1 1354 1 1553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 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 2330 1 1 1 1 1 1 1 289.2457 *290.023* 290.023@2.0325358 1 1 1 1 1 1 1 1 1 7385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.023 *290.024* C14 H10 O5 S 14037 14248 12754 13436 8428 8292 9729 10440 14299 9013 11381 10886 13507 13357 16341 16433 14648 12991 12034 12274 11911 13099 13229 13198 12692 12908 12736 12566 11607 11367 12118 11022 4975 5474 9793 10086 13624 13167 13106 14247 11225 10213 7588 7388 13068 11731 7821 10377 11632 12602 9303 10462 11579 10744 11423 13121 8991 10017 11407 11024 10660 10884 8981 8503 11188 9991 8088 7800 12585 11962 11207 11011 7140 7635 9860 8748 9291 9785 7022 7553 10673 10733 9375 7158 8715 8074 9263 9801 9529 8979 290.024 *290.0374* 290.0374@4.0709443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 290.0374 *290.0403* 290.0403@4.0422997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 3844 1 1 1 1 4563 4292 1 4301 1 1 1 1414 4380 1 1 1 4738 1 1 1 1 1 1 1 1 1 1647 1 4229 1 1 1 1 1 1 1 290.0403 *290.0626* N,N-Didemethylchlorpromazine 1 1 55022 59328 60031 1 15557 1 1 54193 9779 1 1 1 46379 46787 1 1 1 1 45470 42484 33923 34435 54440 1 1 53446 1 1 57299 58302 57927 56617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 12052 8173 26573 26935 38086 37632 47074 38584 48969 47261 18163 19041 56686 53412 23779 20437 39994 20072 1 74690 4600 3030 1 1 34567 34448 1 6382 6438 9867 1 2877 1 5604 1 3982 1 3559 25416 32088 290.0626 *290.0634* 290.0634@2.9782007 1 1 1 1 1 1 43093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2846 1 4466 2679 4661 1 6911 3593 7724 5242 1 1 290.0634 *290.0752* 290.0752@5.845753 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.0752 *290.1162* 290.1162@1.2112876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1162 *290.1498* 290.1498@1.275978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068 2310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1498 *290.1545* 290.1545@1.159451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 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 1 290.1545 *290.1598* 290.1598@1.1544842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 290.1598 *290.1657* 290.1657@1.1458542 1 1 1 1 1 1 1 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 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.1657 *290.1734* 290.1734@1.130286 1 1 139194 142088 33981 35315 2564 1 1 1 8720 5055 5560 1 1 1 1 1 1007 2838 1 1 1 1 1171411 1176714 7287 7250 1 1 4328 1 1 1 1 1 12907 13369 1 1 1 1 15097 17347 23831 24218 7942 10458 1 1 1 1 1 1 1 1 22319 22064 233083 236172 1 1 1 1 1 1 1 1 6145 8161 125255 126909 1 1 1 1 8918 4188 23117 18424 51432 51182 13850 13690 1 1 1 1 1 1 290.1734 *290.1808* 290.1808@1.1362102 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 1 1 1 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 1 290.1808 *290.198* 290.198@1.0561982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1 1 1 1761 1 1 1 1 1 2863 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 5788 1 1 1 2491 5020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 290.198 *290.2056* 290.2056@1.0690423 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 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 2285 2034 1926 1 1 2439 1 1 3307 1 1 1 1 1 1 1 1 1 1 1 1 2059 1453 1 1 1 1 1 1 1 1 1 1 1971 1 1 1 290.2056 *290.2174* 290.2174@1.0651865 1 1487 2027 2267 2034 1 2068 1803 1177 1803 1 1 1929 2283 1663 1 1 1492 2125 1657 1925 1 2638 2243 1 1 1739 1742 1 1 1 1 2000 1 1 1 1 2258 1 1083 1649 2304 1 1 1 1702 2756 1 2621 1 1 2516 1 1 1 1 3171 3654 1 2470 1 1 1695 1 1 1 1 1704 2271 1997 1 1 1 2265 1 1 1 1837 2503 2447 2164 1841 2185 1 1770 1777 1 1819 1 1 290.2174 *290.2189* 290.2189@1.0622901 1 1 1 1 1 4599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2568 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.2189 *290.224* 290.224@1.047736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.224 *290.2326* 290.2326@1.2095461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.2326 *290.2391* 290.2391@1.1520368 1 1 1 1 1 1 1 1 1 1 1 1 1441 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 2430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.2391 *290.3157* 290.3157@1.1278281 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 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 290.3157 *291.0642* 291.0642@2.9276364 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.0642 *291.1179* 291.1179@1.7955316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 25886 1 1 1 1 1 1 1 1 1 1 291.1179 *291.1228* 291.1228@1.7481071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 291.1228 *291.1498* 291.1498@7.344717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22587 23392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.1498 *291.1729* 291.1729@1.0648597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3336 8996 13031 1 1 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 4777 1 1 1 1 1 1 1 1 291.1729 *291.1746* 291.1746@1.0626173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1787 1873 1 1 1 1 1425 1293 1 1 1769 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 1594 1 1 1 1 1 1 1 1 1 1 1 1 2372 2493 1 1 1 1 1068 1284 291.1746 *291.185* 291.185@1.1864508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 291.185 *291.1915* 291.1915@1.2084695 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 1 1 1 1 6818 1346 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.1915 *291.2031* 291.2031@1.1971707 1 1 1 1 1 1 1 1 1 1 3198 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1 4353 4342 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 291.2031 *291.2059* 291.2059@1.201578 1 1 1 2520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1490 4880 4930 1782 1 1 1 1 1 1 1 2987 1 1 1 1 2028 1 1 1 1 1 1 1 1 1 1 1 1 1953 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 1774 1337 1 1 291.2059 *291.2183* 291.2183@1.2043599 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 1568 1 1 4056 3737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3690 4471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.2183 *291.2687* 291.2687@1.0935942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 291.2687 *291.2758* C12 H33 N7 O 3366 3071 3812 3719 3883 3692 5492 5498 4659 5194 3299 3666 4682 4220 4218 4432 3510 3068 3634 3889 1 5955 4103 4111 1 3325 3705 4287 4582 4865 2934 3469 3190 3872 2423 2637 5328 5234 3028 3107 3376 3062 2826 2994 4171 3236 3220 3060 3183 2823 9254 9089 7143 6998 2984 3061 2914 2747 3248 3126 3680 4478 3021 3513 2876 3448 4427 4093 5089 4680 2033 1 3391 3317 3149 2673 2713 2297 4781 5523 5666 5803 1 10396 2431 2344 5520 4845 5082 5227 291.2758 *292.0668* 292.0668@2.9324076 1 1 1 1 1 9013 1 1 9178 8702 1 11718 1 6894 1 1 1 1 1 1 1 4022 6616 1 1 6856 1 1 1 1 1 1 1 1 1 1 12429 1 1 7781 8880 8541 1 1 1 1 1 1 8686 1 1 1900 4615 4919 1 1 1 9282 1 1 1 1 1 1 1 5194 1 16888 1 1 1 1 1472 1 9269 10610 1 1 1 1 1 1 1 1 1 1 1 1 7073 1 292.0668 *292.0676* 292.0676@3.2643907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 292.0676 *292.1157* 292.1157@1.7780873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7122 1 1 1 1 1 1 1 1 1 1 1 292.1157 *292.1327* 292.1327@1.4120896 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1327 *292.1665* 292.1665@1.22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 292.1665 *292.1805* 292.1805@1.0651047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 2299 1 292.1805 *292.1846* 292.1846@5.3168383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 292.1846 *292.1859* 292.1859@1.0799315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8799 1 1 1 1 1 2421 1087 1 1 1 1 1 1 3597 1 1984 1 1 1 1928 1 1 1 1 2170 1 3036 1 1 1 1635 1 1 1 1 1910 1 1 1 1 1 1 1944 1957 1 1 1419 1 1 1638 1542 1 2816 1 2006 1 1 1 1 1 1 1726 1 2043 292.1859 *292.1889* B-Octylglucoside 4551 9113 9977 10921 8175 11093 7345 7457 10262 8019 3416 3893 9310 9209 9326 11039 7720 4119 3843 7047 7599 6981 7379 7885 1 1 4729 4247 7510 5161 4636 7700 7847 9514 7722 8393 7288 7246 4258 8938 6493 7160 7187 3661 1732 5283 7605 7032 8422 6493 4634 6771 4477 6735 6775 8032 8018 8702 14141 10826 5813 7322 5565 6532 6871 6161 6166 6799 6107 2980 6275 2610 6577 2537 6533 6469 2355 2809 17275 17158 3885 4817 2935 6714 5593 5680 7085 7435 6448 6218 292.1889 *292.1956* 292.1956@1.0720288 1 1 1 1866 1 1 1 2219 2574 1 1 1384 1206 1 1535 1 1 1 1 1928 1 1 1 1 1 1 1 1181 1896 1497 2420 1 1 1 1 1 1514 1667 1249 1 1 1 1 1 10844 1 1 1 1217 1322 1 2242 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1557 1 1 1 1364 1 1 1 1 1 1700 1 2825 1 1 2340 1 1 1112 1741 1 1 1 292.1956 *292.2012* 292.2012@1.0640609 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2012 *292.2013* 292.2013@1.1006125 1 1 1 1 1421 1 1649 1 1 1896 1398 1 1 1 1 1 1 1582 1 1 2301 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2013 *292.2282* 292.2282@5.154642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.2282 *293.1182* 293.1182@1.2099873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1466 1 1 1 1 293.1182 *293.1285* C15 H19 N O5 2917 1 2980 3578 1679 1673 2455 2396 2983 3338 2839 2955 3869 4640 5599 5931 2818 3012 3068 3120 2910 2617 4666 4450 2864 3148 3947 3967 2732 2887 2834 3159 1 1 2086 2172 2772 2727 2878 3178 2030 2052 1544 1502 2943 2916 1 2345 2631 3370 3198 4064 2885 2952 3703 3354 1251 2442 2765 2797 3865 4191 2315 2123 3183 3439 2367 2767 2384 2680 3544 3280 1785 1280 2658 3438 3890 4373 3040 1 2909 3113 2872 2513 3353 2711 4169 5686 4872 3551 293.1285 *293.1504* 293.1504@1.795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3490 1 1 1 1 1 1 1 1 1 1 293.1504 *293.1703* 293.1703@3.8028336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 293.1703 *293.1767* 293.1767@1.218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 293.1767 *293.178* 293.178@1.7256875 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 293.178 *293.198* 293.198@1.1735138 1 1 1 1 1484 2006 1 1 1 1 1 1 1 1 1 1041 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.198 *293.1988* Dihydrolevobunolol 4457 4748 4114 4856 6162 5349 4575 4404 4753 4484 4166 4127 5101 5588 6478 5443 3814 3587 5739 6295 6708 6802 7066 6300 1925 6355 6077 5980 6481 9433 1 1 10061 8991 5584 5309 1 8040 6643 5217 9250 7417 5123 5185 5662 6856 7561 8514 7023 6645 1 13129 13645 14080 8342 11660 13130 8492 1 13884 7153 7032 6423 9170 1937 1 7042 1 4784 1 4453 4088 8173 9335 1772 7901 5315 5600 4487 4934 11703 11797 6686 6752 3982 4426 2902 4456 1828 12032 293.1988 *293.1993* 293.1993@4.5204725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38885 38839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.1993 *293.2001* 293.2001@5.0276837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16518 16259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.2001 *293.2001* 293.2001@5.167557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40883 43393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.2001 *293.2004* 293.2004@5.115408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14102 13724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.2004 *293.2008* 293.2008@4.947506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22056 22984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.2008 *293.2016* 293.2016@1.1985893 1 5059 1 1 1 1 9113 1 1 7629 1 1 1426 1 1 1 1 1645 1 1 1 1 1 1 4989 1 1 1 1 1 1 1 1 1 5919 6516 1 1 1 1 1 1 1 2165 1 1 1 1766 9816 1 1 1 1 1 1 1 1 2505 7296 8009 14471 1 1 1 1 1 1 1 1 1 1 1 2209 5210 1 1 1 1 1 1 2310 1 1977 1460 1 3255 1 1 1 6976 293.2016 *293.2023* 293.2023@1.4461771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3379 1 1 1 1 1 1 1 1 1 1 1 1 3816 1 1 1 1 1 1 1 1 293.2023 *293.2069* 293.2069@2.2404485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 1 1 1 1 1 1 1 1 1 1 1 1 293.2069 *293.216* 293.216@1.1967642 1 1 2096 2624 1 1 1 1 1 1 3977 3401 1 1 2374 1129 1 1 1 2845 1 1 1 1 1 2468 1 1 1 1 1 1 1 1 1 1 2860 5027 1673 1861 1299 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1594 1619 1 1 1 1 1 1658 1430 1300 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 1 1913 1186 1 1 293.216 *293.2246* C12 H31 N5 O S 2630 2468 1 1 2887 1 2699 1 1 1 1 1 1 1 2797 1 2252 2398 2826 1 4166 1 2566 2599 5215 1 1 1 1945 2386 1 1 1 1 2369 1 1 1804 1 2657 1 1 1 2487 7705 7949 1 1 1 3070 3288 2388 2666 3481 4251 2276 1 1 1 1 1 2611 1 2558 2397 1 1 1 2319 2619 1 2928 2656 2774 2047 2261 6750 3995 1 1 1 1688 1 1 1 1 1 1 2386 2177 293.2246 *293.2324* 293.2324@1.1551124 1 1 2680 1 1 1 1 1 1 1 2697 2986 2709 2509 1 3100 1 1 1 1 1 1 1 1 1 1 9693 6905 4134 1 1 1 1 1 1 1635 1 1 2796 1 2488 1 1 1 4667 4621 1 1 1 1 1 1 1 1 4294 3206 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 4561 3203 2705 1 1 1 4271 1 1 293.2324 *293.2349* 293.2349@1.1700957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9200 8552 1 1 1 1 19682 18100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24188 28495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.2349 *293.8551* 293.8551@4.6855145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.8551 *293.9307* 293.9307@5.7044477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.9307 *293.9316* 293.9316@5.815534 1 1 1 1 1929 1 1 1 1 1351 1 1 1 2050 1 1 4182 1 1890 1 1 1 1 1209 1 1182 1 1 1 1 1 1 1103 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 1861 1 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 293.9316 *293.9356* C5 H10 O6 S4 57345 57325 58560 58857 58971 58807 57087 59950 63746 64098 61991 63836 61647 63851 65232 64479 61979 62814 64182 63824 66164 65702 67066 65828 61846 61925 64163 65411 61100 60607 65390 64937 68657 64856 64938 65701 64564 64624 69811 69343 68397 67500 64623 65029 65744 65988 64315 64967 67146 70510 89437 90549 80470 79831 76853 75493 69347 72336 72536 70554 88624 88478 70821 71687 80318 79674 81614 83578 68376 68906 100908 99694 70659 70625 76598 76107 93531 94457 90693 92429 97317 96836 92859 94103 94443 98254 94209 94080 81200 82052 293.9356 *294.1128* 294.1128@2.0441594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1128 *294.1149* 294.1149@2.0434747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5429 5848 1 1517 1 1 1 1 1 1 1 1 1 1944 1 1 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1295 1535 294.1149 *294.1152* 294.1152@3.989315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1941 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 294.1152 *294.1162* 294.1162@1.0839431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 1 1 1979 1 1 3843 1898 1 1112 1 1 1 1 1 3920 2040 2548 1420 1 3255 1 1 3966 1 2942 1 1 1 2613 1 1 2374 1 1 1 3116 1 1 1 1 3294 1 1 1 1 1 2799 3734 1 1 1 1 1 1020 294.1162 *294.1191* 294.1191@1.082592 1 1763 1 1719 1 1 1 1 2417 1 1923 2127 1 1 1 1 1 3207 1 1 3910 1644 1 1 2427 1 1 1 1 1 1 1 3934 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 1 4122 1 1 1 1 1 3415 1 1 1 1 1 1 1 1 3381 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 1 294.1191 *294.125* 294.125@3.7746644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.125 *294.1291* 294.1291@1.0935179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 294.1291 *294.1299* 294.1299@1.4193156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 294.1299 *294.1319* 294.1319@1.9347823 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1194 1229 1 1 1183 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1909 1900 294.1319 *294.1369* 294.1369@1.079922 1 1 1 1 3879 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 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 2657 1 1 1 1 1 1 1 1 1 1 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 1 1 294.1369 *294.146* 294.146@1.0726529 2417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2600 3111 1 1 1 1 2742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.146 *294.1471* 294.1471@1.3304663 1 1 1 1 7918 7180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3528 1 1 1 1 1 1 1 1 1 1 1 294.1471 *294.1481* 294.1481@1.0752006 1 1 1 1 1 3549 1 1 1 1 1 1 3353 3567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1481 *294.1492* 294.1492@1.7895393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68603 67043 1 1 1 1 1 1 1 1 1 1 294.1492 *294.1624* 294.1624@1.080849 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 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 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1624 *294.1645* 294.1645@1.1509598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1645 *294.1715* 294.1715@1.19387 1 1 1 1 2419 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 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 2765 1 1 1 2447 1 1 1 1 1 1 1 1 1218 1 1 1 1 1 1 2283 1 1 1 1 294.1715 *294.1778* 294.1778@1.0828873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 294.1778 *294.183* 294.183@1.2075951 1357 1 1 1 1 1 1 1 2269 2206 1 1 1 1 1 1 1 1 1 1 1 1 3841 2345 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 2734 1 1 1 1 1 1 1 1 1 1 1 4066 5518 1 1 1 1 4715 1 1 1 1 1 1 1 1 2344 1 1 1 1 2277 1 1 1 1 1 1 1 294.183 *294.1848* 294.1848@2.238639 1 1 1 1 1285 1 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1848 *294.1856* 294.1856@1.1073818 1 1 1 1747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1 1 1 1 1 2145 1 1 1 1 1397 1 1571 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 2173 2120 1 1 1 1 1 1 1 5687 1 1 1 2635 1 1 2926 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 1 1570 294.1856 *294.1896* 294.1896@2.9039912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 294.1896 *294.1918* 294.1918@2.1529505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 294.1918 *294.1956* 294.1956@1.0813402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1499 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 294.1956 *294.2058* 294.2058@1.0587682 1150 1 1 1 2624 1 1 2026 1 1 1 1 2158 1 1662 4874 2476 1 1 1 5121 3170 1553 1 1 2095 1 1 1 1 1 1 1 1 2123 3326 1 1 1 4526 1 5161 1321 1 1 1 1 1 1 1 6982 1 1 1 5015 1 1 1 6370 1 1 1 2051 1488 1 1 1 1 1 1 1 2521 1 1 1950 1 3594 1 1129 1 1 1 1 1 1 1 1 1605 1 1 294.2058 *294.2063* 294.2063@1.0739452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.2063 *294.2114* 294.2114@1.065773 1 1 1 1 1 3204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 4828 7006 1 1 1 1 1 1 294.2114 *294.2229* 294.2229@1.1984737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3240 1 1 1 1 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.2229 *294.2296* 294.2296@1.1694976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.2296 *294.2369* 294.2369@1.0827777 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.2369 *295.1033* 295.1033@2.0816085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 295.1033 *295.1112* 295.1112@2.8788557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1514 1 1221 1 1 1 1 1252 1 1 1 1 1 1140 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1738 2061 295.1112 *295.1267* 295.1267@1.9431684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 1 1 1 1 4274 1 1 1 1 1 1 1 1 1 1 1 1 1 295.1267 *295.1283* C7 H18 Cl N9 O2 5862 5928 5723 6533 6483 5709 6473 6596 7906 7589 5630 5831 5947 5857 4999 1675 6601 6254 3488 5731 1744 8588 5745 6922 6099 5390 5572 6479 3576 3604 6071 6494 9099 6663 6268 6677 8942 9090 3321 4745 6736 6797 5416 4847 5922 6035 5883 3873 4895 5213 6528 6345 7241 6241 4617 1174 4135 6782 5935 5901 6757 5765 5796 6074 7557 7036 4479 3976 7815 7507 6924 4457 6609 6318 9822 10602 1734 6156 4859 6414 6692 5641 6941 6339 8751 8127 5891 7865 9312 8083 295.1283 *295.1285* 295.1285@1.8925157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3147 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1152 1 1 1 1 1 1 1 1 1396 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 1548 1 1 1 1 1 1 1 1782 1 1 1 295.1285 *295.1325* 295.1325@1.3111488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7675 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 1 1 1 1 1 1 1 1 1 1 1 10995 12172 1 1 1 1 295.1325 *295.1434* 295.1434@1.2200859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 295.1434 *295.1581* 295.1581@4.578495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4003 295.1581 *295.1749* 295.1749@1.2284098 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.1749 *295.1787* 295.1787@4.8371687 1 1 1 1 1 1 2237 1 1 1 1 1 3642 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 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.1787 *295.1824* 295.1824@1.2144352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 295.1824 *295.2057* 295.2057@1.0527779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6483 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.2057 *295.2069* 295.2069@7.482976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.2069 *295.2161* 295.2161@1.0722644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 295.2161 *295.2408* 295.2408@1.1697648 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 1019 1301 1 1 1 2502 1 1 1 1 1 1 1 1 2068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1515 1 1 2122 1 1 1 1 1719 1325 1 1 1 1 1 1 1355 1276 1 1 1 1 1 1 1 1 1126 1183 1 1 2173 1832 1 1 1 1 1080 1596 1 1 1 1087 295.2408 *295.2431* 295.2431@1.1678501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 295.2431 *295.2481* 295.2481@1.2111253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 295.2481 *295.2501* C14 H29 N7 4362 4249 1 12195 1928 1 4855 3628 6439 8194 1 21380 7396 6942 14987 9943 1 1 33430 36015 1 1 4686 4688 18160 15882 109861 110694 31701 29063 1 1986 19445 26229 6027 5734 23729 20411 7080 7847 6320 7024 4109 6782 52841 62084 1 1 1 1 1 1 2389 3575 1 19184 1 1 7116 6677 3544 3102 2343 2541 1 1 7928 9338 3970 2231 2127 1783 1 1915 1 1 2509 3072 1 1 18165 18116 10250 8602 1 1 7676 7702 1 1 295.2501 *295.9622* 295.9622@2.3787699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 295.9622 *296.0866* 296.0866@5.8455653 1 1 1 1005 1090 1 1055 1 1 1 1 1 1525 1 1 1 5846 5875 1 1 1 1 1 1 1 1 1 1 1113 1348 1 1 1 1 1 1 1 1 1 1 1 1 1147 1200 1061 1 1069 1190 1080 1020 1018 1122 1073 1 1 1077 1 1103 1 1 1077 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1031 5051 5837 1 1 1 1 1 1 1 1 1045 1017 296.0866 *296.0957* 296.0957@2.807842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1427 2709 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.0957 *296.1258* 296.1258@2.3568506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8014 1 1 1 1 1 1 1 1 1 1 296.1258 *296.128* 296.128@2.2718694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1034 1 1 1 1 1 1 1 1 1 1 296.128 *296.129* C13 H28 O S3 5236 5754 3214 1 1 3804 4042 3370 1 2648 6351 4518 1 1 7667 6883 3900 4418 1 3936 3290 1 4414 1 1 3645 3967 3574 7641 7185 9051 9490 9968 15609 4097 4419 5741 5887 3743 6641 11280 6728 5184 5973 6816 7401 1 6859 4324 7566 8176 5846 4348 4006 10311 4668 6530 1 8999 5126 9912 8884 6853 4749 10551 9452 9957 1 3049 3661 5683 6420 1 5267 1 4044 4041 4113 3430 1 1 3771 8181 8456 1 1 1 1 6506 5787 296.129 *296.129* 296.129@1.143326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3867 1 1 1 1 1 1 1 1 1 1 1 1 5747 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.129 *296.1303* C20 H21 Cl 1 1 2602 5944 6942 3525 1348 2449 8200 5046 1 1 5516 4520 1 1 1 3087 3288 1 2984 2103 1435 5836 3946 1 3321 3274 1 1 1 1 1 1 2600 2175 1 1 2811 1 1 4817 1 1 1 1 6236 1 2961 1 1 2097 1 2041 1 5020 1 7153 1 1 1439 1528 1124 1 1 1 1 7036 3563 3667 2360 1 6718 1 1 1 1751 3867 3323 7226 5685 6925 1 1 1 4140 7239 7677 1 1 296.1303 *296.1331* 296.1331@4.190697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2833 3314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1331 *296.1334* 296.1334@3.6801455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1259 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1334 *296.1399* 296.1399@1.1959523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 296.1399 *296.1475* 296.1475@5.898739 1 1 1 7405 1 1 1 6564 1 5587 6597 1617 13678 14800 1 1 66554 65589 6694 6606 1 1 1 1 5358 1 6540 6542 1 9450 1 4832 1 1 5258 4739 1 1 1 4607 1 1 1 9638 2307 1 2204 1 5252 1 1 6787 1 6527 1 5877 1 1918 1 2189 8556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3729 1 33523 31517 4376 1 1 1 1 1 1 1 1 3538 296.1475 *296.1501* 296.1501@1.1668812 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 1 1 1 1 1 1 1 1 1 1 296.1501 *296.1639* 296.1639@1.1410252 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.1639 *296.2064* 296.2064@1.0967209 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2064 *296.221* 296.221@1.0747738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 296.221 *296.2293* 296.2293@1.0790412 1 1 1 2796 1 1 1 1 2086 1 1 2461 1 1 1 1 2135 1 1 1 2817 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1754 1 1 1 1742 1 1335 1 1 2665 1 1 1 3421 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 5212 2430 1 1 4364 1 1 1 1 1416 2058 1 296.2293 *296.2348* 296.2348@1.0747342 1 1 1 1 5271 1 1 1 1 1469 3833 1 1 1 1 1812 1 1 1 1 1 1 2212 1 1 1 3443 2726 1 1 2656 2987 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1898 1 1 1 1 1 1 3376 2304 3582 3559 1 1 11077 2518 1 1 4117 2425 1 1 1 1 1 1 1 1 1 1533 1 1 1 4264 1 1 1 1 1 1 296.2348 *296.2435* 296.2435@1.0562545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2435 *296.2514* 296.2514@1.0435979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 296.2514 *296.2627* 296.2627@1.0438375 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 296.2627 *296.2696* 296.2696@1.0349305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 296.2696 *297.0895* 5'-Methylthioadenosine 7705 5964 1 5095 9672 11896 6952 1 6366 1 7497 6104 5231 11029 1 1 1 1 1 1 1 4687 1 4652 20060 8734 20517 20104 1 3418 9312 18768 8087 8446 1 1 1 6952 1 5114 1 1 1 1 11747 9527 7848 17657 4151 4601 7082 6720 10399 11103 1 8805 1 10511 6841 1 1 1 1 1 1 1 14966 13610 1 7825 8218 8562 1 1 1 1 1 6288 1 1 1 1 6584 1 7565 7737 7227 1 1 1 HMDB01173 C00170 297.0895 *297.0897* 5'-Methylthioadenosine + 2.0272343 9461 7759 14152 11528 3342 1 6456 12565 7503 14520 5472 6626 8899 3520 14106 13058 12466 13278 14078 14549 12290 7886 8911 4442 1 10814 1 1 8818 1 11435 1 6631 5720 23274 14124 8692 7414 15536 12316 11443 12158 14608 13653 7792 10574 10330 1 7455 7674 6388 7370 10227 7426 8890 8270 1 11603 4439 17409 12814 7374 13627 14060 18712 19720 1 1 13485 5601 10664 9690 10669 9172 14973 16200 5078 6993 7710 1 11159 12575 3609 10029 6706 6157 7525 5439 1 12297 HMDB01173 C00170 297.0897 *297.092* 297.092@2.0857618 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2832 1 1 1 1 1 1 1 1 1 1 1 5826 1 1 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 1 297.092 *297.1069* 297.1069@3.134822 1 1 1 1 1 1 8733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1179 1172 3717 1 1 1 1 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 1 1 1 1 1 1 1 1 1 7601 1 1 1 1 18445 1 1 1 1 1187 1 9432 1 1 1 1 1 1 1 1 1 1 1 1 297.1069 *297.1075* 1-Methylguanosine 7370 5923 9697 9579 8257 8806 2147 11945 8656 8390 12586 9051 8257 7630 5660 7562 5719 7369 12267 11200 6416 6844 9409 9951 2741 3770 5394 7665 4030 5284 9127 9953 6533 9639 7307 9457 13004 14607 11805 15163 15038 14596 5427 8068 7255 5111 10348 10400 6558 4989 13038 12467 10576 13433 7035 1395 6183 6756 8472 11678 12545 9235 3608 3834 16579 4368 8837 8676 8687 8079 7133 23750 5363 6620 10231 9542 13905 2959 23955 22516 11072 8739 10419 10578 21787 12955 14341 13169 15611 12638 HMDB01563 C04545 297.1075 *297.1092* 297.1092@1.2131671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1092 *297.1136* 297.1136@2.067443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6557 4920 1 1 1 1 1 1 1 1 1 1 297.1136 *297.1235* 297.1235@2.3936577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20094 1 1 1 1 1 1 1 1 1 1 1 297.1235 *297.1241* 297.1241@2.329854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14366 13497 1 1 1 1 1 1 1 1 1 1 297.1241 *297.1246* 297.1246@2.9116404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 1103 1 1 1 1 1 1 1 1 1 1 297.1246 *297.1504* 297.1504@4.3598127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3898 3352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1504 *297.1615* 297.1615@1.1465213 1 1 1 1 1951 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1615 *297.1647* 297.1647@2.5552673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6074 3214 1 1 1 1 1 1 1 1 1 1 297.1647 *297.1753* 297.1753@1.27 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 297.1753 *297.1784* 297.1784@1.4480797 1 1872 1 1400 2528 2372 1961 1 1 1 1 1 1 1 1 1 1 1 1 2366 1 1 1 1 1 1 1 1 1648 2952 1 1 1 1 1 1 1 1754 1 1 1 1 1 1262 1 2626 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 1 1 1 1 1 1 1 15221 17781 1 1 1 1 1 1 1 1 1 1 297.1784 *297.1784* 297.1784@1.5551553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 7300 5581 1 1 1 1 1 1 1 1 1 1 297.1784 *297.1816* 297.1816@6.404496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1816 *297.1837* 297.1837@1.2099313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.1837 *297.1908* 297.1908@1.2002287 1 1 1 6610 1 4423 1 1022 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 2580 2642 1 1 1 1 1 1 1 1 1 1 1383 1154 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 6340 5197 1 1 1 1273 1 1 1 1103 4866 3564 1 1 1 1 1 1 1462 2301 1 5366 1 1 1 1 1 1 1 1 297.1908 *297.1999* 297.1999@1.2079432 1 1 3676 1 1 1 1 1 1 1 1 1244 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 1174 1 1 1 1 1 1 1 1 1211 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 3260 3085 1 1 1 1 1 1 1 1 1 1 1 1 297.1999 *297.206* 297.206@1.2318056 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 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 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 1221 1 1 1 1 1 297.206 *297.2117* 297.2117@1.2055925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.2117 *297.229* 297.229@1.2061946 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.229 *297.2362* 297.2362@1.066055 1 1 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 1 1 297.2362 *297.2592* 297.2592@1.1568296 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1892 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.2592 *297.2639* 297.2639@1.1581962 1 1 2241 1 1 1 1 1 1 1 3836 3360 1388 1201 1 1 1 1 3144 2974 1 1 1085 1 2533 2723 12930 9598 1 1633 1 1 5351 4939 1 1 3381 3411 1728 1464 1641 1965 1 1 8383 6995 1 1 1 1 1 1 1 1 3118 3049 1 1 1370 1 1 2128 1 1 1 1 2966 3152 1 1 1 1 1 1 1 1 1 1 1 1 3633 3227 2206 2420 1 1 1359 1261 1 1 297.2639 *297.3385* 297.3385@3.4582973 3358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.3385 *297.3388* 297.3388@3.7244663 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.3388 *297.3389* 297.3389@2.858838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2467 1 1 1 1 1 1 1 1 297.3389 *298.0793* 298.0793@1.9325421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7265 7823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2702 1 1 1 1 1 1 4842 4663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0793 *298.0797* 298.0797@1.923728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0797 *298.0951* 298.0951@2.0102346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1092 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 2009 1 1 1 1 1 1 1 1 3348 3581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.0951 *298.0998* 298.0998@1.1059451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 2101 1 1 1 1 298.0998 *298.1292* 298.1292@2.2947288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 298.1292 *298.1362* 298.1362@1.3254983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1148 1 1 1 1 298.1362 *298.1415* 298.1415@1.3402721 1 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3293 1 1 1 1 1 1 1 1 1 1 1 1 1 1535 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 1733 1 1118 1 1 1 7721 1 1 1 1 4709 1 1 3984 6908 2126 1 1 1 1 1 1 1 1 1 1 1 1 298.1415 *298.1442* 298.1442@1.3884647 1 5994 1 1 1 1 1 1 1 10716 3421 1 1 8386 7876 1 1 1 7369 8982 1 1 3288 1 3800 1 1 3142 1 1 1 1 7303 7067 1 2599 7408 1 1 6310 2033 1 3233 1 2688 1 2514 3300 1 1998 1 1 1 1 1 3684 1 1 1 1 1 1 1 1 11094 1 9503 7391 9726 1 1 5787 11376 1 1 1 2856 1 1 1529 4101 1 1 1 6328 1 1 1 1 2593 298.1442 *298.1443* 298.1443@1.2312442 4619 5367 1 1 1 1 1 1 1 6369 1 1 1 3864 1 1 1 1 1 1 1 1 4249 1 3951 1 1 1 3575 3676 1 1 9932 2700 1 4272 3353 1 1 1 1 1 3165 1 1 2497 3674 1254 1 1 2466 1 1300 1815 1 1186 1 2573 2965 1 2852 1706 1 1 1 1 6033 6210 1 1 3899 4069 4918 1 1 1559 1131 1 1 1 1210 1 1 1 4722 1 1 1 1 3111 298.1443 *298.1449* 298.1449@1.358661 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1449 *298.1535* 298.1535@1.421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 298.1535 *298.1586* 298.1586@1.7703006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1586 *298.1601* 298.1601@1.7062305 1 1 1 1 1 1 1 1 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 1 298.1601 *298.1687* 298.1687@4.043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 298.1687 *298.1699* 298.1699@1.0803182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1699 *298.1702* 298.1702@4.065738 1 1 1 1 5479 5343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3550 1408 1 1 1 1 1 1 1 1 1 1 298.1702 *298.1753* 298.1753@1.0597873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 298.1753 *298.1788* 298.1788@2.1476312 1 1 1 1 1414 1 1 1 1 1 1 1 1791 1 1 1 3775 4780 1 1724 1 1 1 1 1 1 1 1 2370 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 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 12609 1 1 1 1 1 1 1 1 1 1 298.1788 *298.1831* 298.1831@1.1413006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 298.1831 *298.1994* 298.1994@1.123804 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 1 1 1 1261 1 1 1 1 1 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.1994 *298.2041* 298.2041@1.1293304 1 1 1 1 1 1 1 1 1148 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 1 298.2041 *298.2127* 298.2127@1.1186172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 2449 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1084 1 1101 1 1 1 1 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 1 298.2127 *298.2246* C15 H30 N4 S 1709 1739 3286 2566 1034 1504 2992 4344 5279 1 18440 17246 2027 4050 11962 2252 1513 2024 1 1 4697 5761 1986 12510 5415 1616 3156 2009 8777 2915 1894 2198 1806 2032 12145 12169 3883 4547 1893 1 2588 2518 15925 2471 4085 3629 3308 2276 1654 1613 4559 1560 1595 1569 12625 1 1 6835 1 1 4968 1946 1 1934 1733 1 5004 1 1885 2737 4629 1 4207 2466 1 1639 4874 2346 1 1 12508 1 2142 15265 6150 1419 7961 2840 2843 1087 298.2246 *298.2269* 298.2269@1.2415829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2269 *298.2274* C16 H30 N2 O3 1 1 2107 2500 1294 1 1364 1707 1 1 2096 2301 1 1 1 1 1 1 1281 1657 1 1 1815 1381 1 1 1464 2100 1 1 1316 1 1 1 1161 1448 1222 1 1 1061 1419 1 1 1 4032 3893 1 1257 1094 1 1 1 1 1 1589 1 5647 1 1618 1 1 1 1821 1114 1089 1811 1 2470 1 1138 1 1 1 1 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2274 *298.2333* 298.2333@1.2326852 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2333 *298.2429* 298.2429@1.0670897 3227 1 1 2799 2284 2814 1 1 3128 1 1 1 2443 1 1 3521 1 1 3659 1 1 2901 1119 1 1 1384 1 1 1 1 2333 1 1744 1 1 1732 2255 2263 1 1 1 2993 1 1 1 1 1 1 1 1 1765 1689 1 1 2589 1 1 1268 3060 1 1 1 1 1734 1 1 1 2113 1 1 1 1 1 1447 1 1 1 1 6315 4086 2474 2012 1 1 1 1650 1 1 1 2392 298.2429 *298.2454* 298.2454@1.439581 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 3606 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 1 298.2454 *298.2461* 298.2461@1.2071948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2461 *298.2478* C17 H34 N2 S 1 1 2649 1 1 1 8033 4771 1 2906 3692 3604 1 2168 5436 1 6567 6361 1 1 1 1 1 1 1 1 6356 6631 2830 2663 1 5295 1 2940 1 1 1 1 1 1717 1894 1 2417 2292 1820 3911 2271 1 1 1 1 1 3112 4164 1 2314 1 1 1 3143 6579 7576 1372 1 9903 4125 1738 1 13934 4898 3780 1835 1834 1 1534 1 2038 4099 1 1 1 1 5997 6427 1 1 5044 2884 1808 1 298.2478 *298.2495* 298.2495@2.8893936 1 1 1 1 1 1 1664 2076 1964 2967 1 1561 1810 1 1 2155 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1218 1 1 1 1 1 1 1 1 1 1 2613 2278 1 1 1 1 1 2339 1 1 1 1 1 1 1952 1 1 1 1329 1 1 1 1 1 1 1 1361 1 1 1 1 1 2532 2671 1 1 1 3490 2839 3778 1716 1 2957 1993 1 1 298.2495 *298.2561* 298.2561@1.1561894 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.2561 *299.0248* 299.0248@5.634321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1621 1350 1 1360 1450 1179 1655 1389 1142 1 1743 1661 1 1004 1 1 1 1796 1182 1492 1695 1283 1866 1587 1681 1457 1 1 1 1196 299.0248 *299.0626* 299.0626@1.2061379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2884 2853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.0626 *299.0848* 299.0848@1.9505569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 299.0848 *299.1009* 299.1009@6.1830463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 299.1009 *299.1224* 299.1224@2.7854455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1844 1262 1 1966 1287 1908 1 1 1 1 1018 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1224 *299.1326* 299.1326@6.6762056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 299.1326 *299.1775* 299.1775@2.1478307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20087 1 1 1 1 1 1 1 1 1 1 1 11207 13051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53950 52182 1 1 1 1 1 1 1 1 1 1 299.1775 *299.1886* NYLIDRIN 13244 1 8930 5745 11712 7628 1 6315 7144 4440 7189 9524 6711 10321 1 1 1 6282 11192 1 1 1 5176 1928 8022 1 10936 9444 1 1 9755 1 1 1 7735 1 1 1 6522 5854 8523 9283 9390 14349 12460 5299 1 10444 1 9571 5147 1 5536 1 6943 1 1 6201 6420 4801 7683 9574 1 1 1 1 7988 1 7354 6965 8775 1 9498 2378 1 1 8511 1 1 1 1 9348 1 3881 1 7318 1 12533 1 1 299.1886 *299.1923* 299.1923@4.473904 3479 3723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31388 33175 1 1 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 24022 50590 31133 4541 24704 50052 52884 28249 46387 23867 23939 4574 3297 1 2868 27406 26778 3427 3198 3878 3764 2825 11865 30099 4221 22387 25669 28939 30685 299.1923 *299.1923* 299.1923@4.530508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25695 22412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34731 33343 30497 49091 35113 35150 76813 78644 45822 27552 40681 41799 1 19868 18151 16522 45573 47382 27305 26465 36202 36286 15941 17352 53913 53193 40696 41151 51401 51602 299.1923 *299.1933* 299.1933@1.9998395 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 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 1 1 1 1 1 1 1 1 1 2994 1 1 1 1 1 1 1 1 1 1 1 2649 1 1 1 1 1 1 1 1 1 299.1933 *299.1936* 299.1936@1.8009808 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 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1936 *299.1938* 299.1938@4.106629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1938 *299.1943* 299.1943@3.680572 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1714 1 1 1906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1943 *299.1945* 299.1945@0.6786554 7053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 8143 1 1 1 1 1 1 1 1 1 1 1 2014 1 1 1 1 1 1 1 1 2904 1 1 6951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1945 *299.1947* 299.1947@3.2392254 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 299.1947 *299.1948* 299.1948@2.6323366 70999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10375 1 1 1 1 52704 1 1 1 1 104178 1 1 1 1 1 1 21071 1 1 129138 1 1 53911 1 1 1 1 1 1 17076 1 1 1 51741 1 48292 15156 1 37279 299.1948 *299.1949* 299.1949@0.82275987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1949 *299.1951* 299.1951@2.3225446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1951 *299.1999* 299.1999@4.1972837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 299.1999 *299.2017* 299.2017@1.1772681 1 1 1 3232 5021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6752 1 1 1 1 1 1 1 3526 6883 1 1 1 1 4501 1 1 1 1 1 1 1 3394 1 1 1 1 4275 1 1983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2017 *299.2055* 299.2055@1.2051145 1 1 1 1 1 1 1 1 1 1 5159 1 1 1 1 1 1 1 1 1 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 7082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2055 *299.2259* 299.2259@1.4477298 1 1 1 1 1 1 5034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2259 *299.2434* 299.2434@1.4462076 2528 1 1 1 1 1827 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2434 *299.2717* 299.2717@1.1801919 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.2717 *299.2789* 299.2789@1.1829193 1 1 3269 3398 1 1 1 1 1 1 2204 1 3889 3952 1 1 1 1 1 3341 2642 1834 1 1 2971 2425 1 1 4302 3510 4520 5026 1 1 1 1876 2013 1841 1 1 2104 1 2989 3251 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 2454 1851 1 1 2254 1 1 1 1 1 2698 3003 5080 5657 1 1 1 1 2537 2182 1485 1 1 1 2692 2752 1 1 1 1 1 1 299.2789 *299.2822* 299.2822@4.072719 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5096 5041 1 1 299.2822 *299.3409* 299.3409@2.6573663 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.3409 *299.3413* 299.3413@2.606528 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.3413 *300.0627* DIPLOSALSALATE 45878 47784 24724 24573 16767 15307 22311 24343 58335 60123 17041 18536 30640 31407 50420 50118 11508 8763 42908 42087 38402 38694 45034 45172 31038 28804 55442 56396 42554 41471 59619 61415 40345 40519 37291 36206 23958 25965 48321 53022 31875 30161 44075 44988 11279 18636 54433 52844 43845 43959 46200 49513 36631 34604 28792 29607 58718 58438 44863 45414 1 1 60959 58542 43921 45038 17525 18751 38079 36223 37578 37202 30928 33422 40923 41910 15709 17501 33465 32751 1 1 28901 27329 30535 29904 19557 20221 1 1 300.0627 *300.0665* 300.0665@1.2348778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0665 *300.0672* 300.0672@2.755469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5453 1 1 1 1 1 1 1 1 1 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 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0672 *300.0674* Sulfaquinoxaline + 2.4875205 1 2929 1 1 1 12139 1 1 5305 5508 2209 1 14364 11663 1 5642 1 1 8076 1 1 1 7550 1 1 3061 1 2367 1 1 1 1 3853 1 6472 1 1 1 1 10625 1 1 2562 1 1 2137 1 1 1 11704 1770 8206 2244 3644 8819 1 9667 1 1369 2964 1 4963 1616 1 1 8877 2581 1 2257 11800 10337 7501 14564 5873 1 1 1 1 1 1 10439 1 11746 1 1 1 3433 11367 1 3505 300.0674 *300.0674* 300.0674@2.3032503 1 1 1 1 1 1 1 8316 7024 7902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9622 1 1 1 1 1 1 3543 1 1 1 1 1 1 1 1 1 1 1 1 4678 1 1 1 1 1 1 1681 1 1 1 1 1 1 1 1 1 1 1 1 9110 1 1 1 1 1 1 1 1 7528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.0674 *300.0675* Sulfaquinoxaline 20409 19260 20263 21420 14547 11545 5414 17810 11367 8993 20056 20199 5090 8743 15525 11224 22399 21471 14772 13030 26658 26725 13307 21637 25937 12360 25969 27636 20408 18890 18664 20870 8068 15398 6919 21243 16152 16694 19268 8593 14534 21286 20747 19575 14892 9774 20158 20146 1 7207 26398 15872 15491 18719 12133 19592 9608 19813 18775 20187 18181 20558 4180 13409 24725 5213 21547 10883 17094 7325 11230 14591 12423 10526 12357 20069 25385 4571 1 28422 13845 24196 14304 24291 5687 23259 28551 14912 2142 16757 300.0675 *300.0677* 300.0677@2.7668178 1 1193 1 1 3063 1620 4022 3603 1 1 2178 2860 3397 1 1647 1210 3855 4593 3282 7156 1 6769 1 1 2920 3507 1 1 9024 5411 1 1680 1 1336 1 2917 3005 2924 2688 1 3223 1 2811 2121 1 1 1 1995 1363 2122 1 1 1 1 1 1 1 1 2219 4015 1 1 1 1 1 1 1 1 1612 1754 1 1 1 3551 1210 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 300.0677 *300.0678* 300.0678@2.6031468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 300.0678 *300.0679* Sulfaquinoxaline + 2.8356538 8098 8532 8823 8498 2201 3009 2219 2210 6933 7740 2257 2393 10768 11755 9609 3476 3671 3712 7064 11229 9845 3071 12283 14109 3978 3354 6471 5147 5679 7207 7169 2908 11136 9700 5669 3108 2719 3298 10544 10667 6191 10744 3201 2716 8372 4093 3158 2553 13336 14690 12458 11136 10397 10374 12982 13234 10588 11300 13698 14068 8937 8733 12104 10852 9232 9548 9495 8754 7195 7323 5828 6373 7464 2879 9135 8350 9423 8659 6731 6307 6569 7780 10104 10299 6451 6373 8656 8207 12840 13193 300.0679 *300.0724* 300.0724@2.167215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2279 1 1 1362 1 1 1 1 300.0724 *300.0784* 300.0784@2.0093772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1971 300.0784 *300.086* 300.086@1.9508691 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1974 1 1165 1119 1069 1 1 1 1 1325 1 1 1 1 1 1 1282 1400 1 1786 1 1 1416 1632 1 1 1 1 1226 1 1 1 1 1037 1 1579 1 1067 1198 1 3422 1756 1 1 1289 1625 1 4315 1326 1104 1 1 1754 2073 1660 1522 1 1 1616 1 1 2351 3380 2046 1610 1857 1227 4675 1468 1246 3791 6172 300.086 *300.0875* 300.0875@1.2483679 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 1760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 300.0875 *300.0876* 300.0876@2.079152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 300.0876 *300.097* 300.097@1.2401708 1 1 3458 3987 1 1 1 1 1 1 6743 1 1 1167 1992 2644 7606 8090 4432 6235 7969 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 2692 4884 5045 3573 5092 3264 3473 1 1 1 1 5890 4850 3136 4273 1 1 1 1 1 1 1 4007 1 1 1 1 1 1 17690 16267 6585 5873 5184 4831 1 1 2542 1 2488 1 1 1 1 1 1 1 1 1 3361 3677 5107 5926 1 1 300.097 *300.1007* 300.1007@1.2351122 1 1 1 1 23854 23148 11819 12075 1 1 1 1 1 1 1 1 1 1 1 1 1 7880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8923 12820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1007 *300.1009* 300.1009@2.0604732 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1009 *300.1072* 300.1072@1.2191104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10745 1 300.1072 *300.118* 300.118@1.3146702 1 1 1 1 1 1820 1 1941 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5421 6966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.118 *300.1201* 300.1201@1.6913157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 4730 1 1 1 1 1 1 1 1 1 1 1 1 1 3434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1201 *300.1244* 300.1244@1.30235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1244 *300.1283* 300.1283@5.382064 1 1 2180 2481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1283 *300.1317* 300.1317@3.2604058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 2338 2857 1 1 1 1 1 1 1 1 1 1 1 1 2410 2097 1043 1 1 1 1 1 1 2525 2371 1918 1 1 4263 2700 1 1498 1 1 1798 1 1767 1 1 1 1 3157 1 1676 1 1 1 1 2796 3158 1 1 1 1117 1 1224 1 1 3150 1 1 1 1 1 1 4907 3474 2353 300.1317 *300.1322* 8-Hydroxypromazine 2280 3071 4342 5327 4558 4674 4919 4606 1848 4906 3520 3377 3728 3908 3520 2638 4262 4200 4917 4842 3760 4094 5749 5717 1 2534 6724 6098 2806 2854 4930 5120 4479 5418 3917 4526 7614 8116 6032 5223 4093 3973 6394 5596 4944 2425 1447 5315 3728 3753 3564 7761 5854 5552 3809 3373 4504 5069 5290 5237 4952 5053 3380 2448 5548 6054 4633 3531 4759 4930 11394 10713 2520 3586 3615 1000 7483 7620 8025 6965 9812 8355 7748 7112 8759 8096 7051 1689 9098 7868 300.1322 *300.1333* 300.1333@3.2732496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1126 2088 1 1 1 2846 1 1 1 1 1 1 1 1 1 1 1 1 2334 3583 300.1333 *300.1403* 300.1403@1.0372372 1624 1 1 1 2193 1 1402 1978 1595 1 1 1 1 2180 2064 2339 1 1 2129 2232 1582 1 1 1849 2581 1940 1725 1680 1808 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 1 1 1 1 1 1 300.1403 *300.1499* 300.1499@1.1017141 1 1669 2311 1624 1 3473 1 1 1 1862 1 1 1 1 1 1 1 1 1 1 1 2621 2517 1 5777 1 1 1 1 1 9274 8212 1 1 1089 1 1 1 1 1485 1 1 1 2731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5187 1 1 1 1 1 1 1 10147 9779 1 1 1 1 1338 1 3196 1 1 1 1 1 1 1 2262 1 1 1 1 1 300.1499 *300.1583* 300.1583@1.0600419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10949 15479 1 1 1 1 1 1 37036 44786 1632 1 3029 1 1 135592 1 1 1 1 1 1 1 1 19319 3473 1 1 1 1 1 14210 1 1 1249 1 1 1 1 1 1 11104 1 1 1 1 1 1 1 23018 1 1 1 9608 1 1 1 1 300.1583 *300.1627* 300.1627@1.0512677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11945 1 1 1 1 1 1 1 1 2463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2791 1 1 3266 1 1 1 1 1 1 1 6689 1 300.1627 *300.1657* 300.1657@1.0491647 1 1 1 1 1 1 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 1300 1312 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1760 1 1 1 1 1 1 1 1 1 2154 1 1 3221 2914 1 2150 1 1 1 1 1 1 1 1 1 1 1776 2897 1 1 1 2605 1 1 1 1 1 1 300.1657 *300.1811* 300.1811@1.05141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1 1 1 2587 1 1 1 1 1 1 1 300.1811 *300.1973* 300.1973@1.151992 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2315 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 1 300.1973 *300.1976* 300.1976@2.5911777 1 4956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.1976 *300.1977* 300.1977@2.663164 1 2040 3416 3499 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 1 1 1 1 1 1 2280 5275 1 1 1 1 1 1 2732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5206 1 1 1 1 1 1 3050 5302 1 1 1 1 3597 300.1977 *300.201* 300.201@1.196662 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 300.201 *300.2784* 300.2784@5.11717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1724 1 1 1 1 2766 3178 1 1 1 1 1379 1215 1125 1 1 1 1 1 1025 1332 300.2784 *300.2794* 300.2794@5.0782895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1491 1 1 1 1 1165 1001 1 1 1 1 1 1 1414 1 300.2794 *301.0638* 301.0638@2.7122157 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0638 *301.0639* 301.0639@2.3702621 1 1 1 1 1 1 15506 1 32021 21529 18719 1 1 34126 1 1 1 1 1 28386 1 1 1 1 1 1 1 1 1 1 1 1 27729 1 1 1 1 26688 31058 24906 35844 52753 1 1 1 20118 17418 1 1 61101 1 1 1 29629 49146 46569 1 17292 1 1 1 1 1 1 1 1 1 1 29852 20936 32878 1 39449 34154 26152 1 60794 1 1 1 1 1 57522 1 1 1 1 1 1 59059 301.0639 *301.064* 4-Aminophenyl 1-thio-beta-D-glucuronide 79971 84513 88313 74881 98890 87497 101703 114414 68329 77426 48611 76050 86740 37123 61768 67664 89119 82187 58009 23719 101685 104897 88983 87077 109402 113589 108544 55050 84930 76017 82365 89134 31558 62285 84686 76407 68058 40786 47833 52678 41041 35859 85183 76980 66128 34599 74921 34699 77548 19556 107455 105633 67440 37185 30521 36345 21760 34316 79078 82578 102117 100219 52993 60319 89978 85668 78905 86542 40448 56957 56046 101290 74261 63809 55653 69770 52948 117212 114492 112207 107174 105397 51280 123887 103812 101814 112204 114741 98322 57068 301.064 *301.064* 4-Aminophenyl 1-thio-beta-D-glucuronide + 2.8369641 37865 39667 39793 37856 8547 6506 14585 8363 11353 34582 12839 9405 50012 46381 43166 41539 11984 12707 16224 11937 48394 39630 57876 6428 12348 16650 13367 22107 21942 40387 29613 8540 47546 47339 7967 13049 11096 9951 46757 51019 43976 46984 10883 11761 13109 11791 14080 12048 58677 67157 57611 52306 47458 51038 58208 59515 51934 55135 60074 64024 42154 9292 51994 49097 45287 1499 43583 7764 12505 32124 4563 1 29970 10940 41167 40487 43094 12231 29264 22408 1 6696 5151 40565 28636 22979 37924 36631 58658 59024 301.064 *301.0641* 301.0641@2.4956768 1 1 1 1 3838 1 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 1 3331 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 3158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 1 1 2302 1 1 1 1 1 1 1 2502 3202 1 1 1 1 1 1 1 1 1 1 1 1 301.0641 *301.0641* 4-Aminophenyl 1-thio-beta-D-glucuronide + 2.5971124 9106 1 10721 1 5985 1 1 10043 1 1 10034 15219 25690 1 12454 12175 8745 12997 27721 29856 17142 1 1 16485 1 6413 1 1 16899 1 1 7684 16817 17928 8817 6307 14651 9245 20105 1 7888 15895 1 12481 1 19738 8499 1 14014 18905 16333 1 10723 17985 1 12493 1 16238 18997 25860 9069 1 16402 1 1 7262 10092 1 12139 1 1 1 1 1 1 1 11560 9197 1 1 10886 1 1 15472 12932 1 1 1 1 1 301.0641 *301.0641* 301.0641@2.685979 1 1 1 1 1 1 1 1 1 1 4902 1 1 1 6583 1 1 1 1 1 1 1 1 1 1 2705 1 1 13119 1 1 1 1 1 3556 1 1 1 3328 1 1 1 1 1 3873 1 2813 1 1 14964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2665 8848 1 5471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0641 *301.0641* 301.0641@2.7890806 1 1 1 1 1 1 8575 1 17895 1 2261 14850 1 1 1 1 17789 20401 35375 37980 1 1 1 1 13236 15859 23614 1 38955 1 1 18035 1 1 1 1 17981 15011 1 1 1 1 13507 14136 18644 20531 11674 10150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32922 20430 1 1 1 1 12233 1 1 1 1 1 1 1 1 28810 1 1 1 1 1 1 1 301.0641 *301.0643* 301.0643@2.8767176 1 1 1 1 6633 11152 1 13400 1 1 10926 1 1 1 1 1 1 1 1 1 1 1 1 63745 1 1 1 13523 1 21778 1 1 1 1 11771 8923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33354 1 1 1 43813 1 1 1 1 29674 31421 1 1 1 1 1 32826 1 5144 36037 37468 9532 1 1 7026 1 1 1 1 301.0643 *301.067* 3,4-Dehydrochlorambucil 1 1 3474 1 1 1 2382 4063 1 1 1885 1790 1 1 1 1 1 1594 8115 8155 1 1 1 1353 1605 1260 2033 1698 1 1 4297 4224 1 1 1457 1609 1 1 3247 2574 1 1705 1 1 1 1 1580 1711 1 1 1 1 1 1 1 1 1619 3108 1503 1 1 1 1 3025 2735 1836 4059 3738 2696 1 1 1 1 1 1798 1 6623 3864 11489 9095 3874 4010 6179 4826 3577 4287 2216 2184 6126 7935 301.067 *301.0705* 301.0705@2.0942492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0705 *301.0927* 301.0927@4.273622 1 1 2474 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 2926 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.0927 *301.0967* 301.0967@1.3237565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 301.0967 *301.1036* 301.1036@1.2576193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 301.1036 *301.1098* 301.1098@1.2172829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1098 *301.1169* 301.1169@1.2245394 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 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 1122 301.1169 *301.1278* 301.1278@1.213212 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 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 8236 1 4686 1 2422 1 301.1278 *301.135* 301.135@4.3515167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17041 16954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32114 32648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.135 *301.1351* 301.1351@1.2122176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2580 1 4560 1 5300 1 1393 301.1351 *301.1457* 301.1457@1.2073596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1210 1 1 2101 1 1 1 1 1 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1457 *301.1509* 301.1509@1.2052668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2427 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 1 301.1509 *301.1897* 301.1897@5.7659135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1780 1 1 1 1 1 1 1 1 1 1 1 1 1838 1642 1 1 1 1 1 1 1 1 301.1897 *301.1901* 301.1901@5.608229 2102 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 1 1 1 1 3068 2507 1 1 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 2699 3038 3027 2358 2405 10001 9712 3927 3921 2337 2431 2529 3186 2306 2124 4138 3971 2948 3212 8217 8231 1902 1894 3890 3322 3624 3200 3239 2751 301.1901 *301.191* 301.191@6.949411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2406 1 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 301.191 *301.1982* 301.1982@1.1393473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 5912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.1982 *301.2001* 301.2001@2.6417184 1 1 1 1 3225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1708 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 3035 1 1 1 1 1 1 1 1 1 1 1 301.2001 *301.2078* 301.2078@1.2123514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 301.2078 *301.2184* 301.2184@1.124657 1 1 1793 1 1 1 2177 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1647 1 1 1 1 1 1 1 1 1 1 301.2184 *301.2196* 301.2196@1.1460292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3780 1 1 1 1 1 1 1 1 1 1 1 301.2196 *301.2253* 301.2253@1.2099484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2253 *301.2268* 301.2268@1.0637132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5443 5062 1 1152 1 1 1 1 1 7125 1 1617 1 1 1 1 1709 1 6252 6737 1 1 1 1 1 1 1 1 6264 8406 13519 15151 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 7362 6988 8543 7424 1359 1 2167 2730 1 1 301.2268 *301.2359* 301.2359@1.0406805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 301.2359 *301.2409* 301.2409@1.0343508 1 1 1 1 1 1 1155 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 2124 2047 1 1 1328 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 1 301.2409 *301.253* 301.253@1.0357075 1 1 1 1 1 1 1 1 1 1 1 1 1 3978 1707 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 1378 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 2331 2125 1 1 1 1 1 1 1051 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.253 *301.2616* 301.2616@1.0278223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2616 *301.2655* 301.2655@4.482365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 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 1 301.2655 *301.2975* 301.2975@4.001952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2823 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 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2975 *301.9104* 301.9104@1.0585163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.9104 *302.0079* 302.0079@13.340322 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 2346 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 1 302.0079 *302.0081* 302.0081@12.562402 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0081 *302.0082* 302.0082@13.320211 1 1 1 1 1 1 1 1 1 1 1973 1 3352 1 1 1 1 1 1 1 1 1 1 1 1 2129 1 1 1 1 1 1 1 1 3042 1 1133 1 1826 1 1 1 1 1 1 1 2337 1 1 1689 2917 1 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 3569 3727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0082 *302.0082* 302.0082@13.262712 1 1 1 1 1 1 1 1 1 1 1562 1 2193 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1517 1 2584 1 1 1 1 1 1 1 1444 1 1 1132 1 1 1 1 1 1 1 1 2270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0082 *302.0084* 302.0084@13.081627 1 1 1 1 1 1 1 1 1 1 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0084 *302.0089* 302.0089@12.739864 1 1 1 1 1 1 1 1 1 1 1270 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0089 *302.0657* 302.0657@2.3654373 1 1 1 1 1 1 1 1 1 1 2717 3179 1 1 1 1 1 1 1 1 4587 1 1 1866 1 1 1 1 1 1 5723 1751 1 1 1 1 1 1 1 1 1 1 1 4598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2215 1 1 1 1 1 4889 1 1 1 1 1 1 1 1 3683 1 1 1 1 1 1 1 1 1 1 1 1 7580 1 302.0657 *302.0658* 302.0658@2.8318896 1 1 1 1 1 1 1 1 1 1 1 1 2200 3184 1 1 1 1 1 1 1 2349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 302.0658 *302.066* 302.066@2.3746552 2109 1 1 9996 1 1 1 1 1 1 7363 2931 2355 7067 2380 1 1 4522 1 1 5733 10587 1 2295 1 1 5398 1 1 6441 4730 4571 4512 1447 1 1 1 1522 1 1 9370 1 1 5824 1 8510 2766 10297 1 1 2422 1 1 1 7079 9902 4479 1 1 2177 6645 1 1 1 1 4065 7911 1 7776 1 1 1 1 17113 1 4942 1021 1 6768 1 1 1 16015 1 1 1 4076 3274 9886 1 302.066 *302.0666* 302.0666@2.2857547 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 1 1 302.0666 *302.077* 302.077@2.094684 1 1 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 2613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 1 1 1 1 1 1 1 1 3659 1 1 1 1 1 2293 2370 1 1 1 1 1 302.077 *302.0792* 302.0792@3.2785115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3040 1 1 1 1 1 1 1 1 1 1 302.0792 *302.0802* 302.0802@1.9963349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2562 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 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 1207 1 1 1 1 1 2990 1 1 1 1 1 1 1 1 1178 2607 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.0802 *302.0814* HAEMATOXYLIN 1 1 1 1 1 1 1 1 2046 1596 2957 1691 2333 1 1 2303 1210 1957 1 1 1 1 1 1655 1749 2072 1432 1378 1 1 1515 1 1 1 1 1165 1 2789 1449 1 1438 1620 1 1366 2137 2013 2005 1 1325 1 2098 1 2114 2417 1 1866 1 1 1 1 2904 2971 1895 1 3529 3284 2266 1 2674 2722 2929 2377 1 1 1687 1 1 1602 1 1 1 1403 1138 1555 2178 1774 1 1118 1 1 302.0814 *302.1111* 302.1111@1.2024689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 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 *302.1143* 302.1143@1.7616048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 2460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.1143 *302.1203* 302.1203@1.2137727 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1103 1 1568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1 1 1 1 302.1203 *302.1257* 302.1257@1.2188748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 302.1257 *302.1557* 302.1557@1.6401776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 302.1557 *302.1639* 302.1639@1.647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 1 302.1639 *302.2156* 302.2156@1.0534258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7423 1 302.2156 *302.235* 302.235@1.088828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 302.235 *302.2452* C17 H34 O4 3275 4272 5914 5065 7988 9443 8464 7090 8466 6855 6600 8150 11173 11200 9146 10762 9395 9669 9350 9857 9151 6851 7398 6690 4917 6871 6302 5515 10912 10844 11101 8022 8075 8848 6719 5804 5561 6287 6580 6232 9012 9071 5988 8863 6342 4321 2829 4455 6945 7727 7598 7726 10482 9431 6991 5870 1027 1 7867 7061 7775 7948 11575 11151 3812 5983 8328 7870 11554 12660 8818 10180 8267 8075 4679 6450 9146 9282 7621 8342 8920 9409 12377 14421 1329 1021 6953 6990 3991 3170 302.2452 *303.0106* 303.0106@13.481831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 303.0106 *303.0633* 303.0633@2.4224906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.0633 *303.0639* 303.0639@2.398535 1 1 2589 3938 1 1 1 1 1 1 1175 1 1 4480 1 1 3624 1 1 4165 2650 1 1 1 1184 1 1 1053 1 1 1 1 1149 1 1 1 1 3175 1 2140 2015 1 2674 1976 1 1 1 1 1 1 1 1 3133 1 1 1 3739 5874 1 1 1 3036 1 2788 1766 1 1 1 1 1 1 1 1 1 3000 1 1 1487 2123 1 1 1 1 1 1 1 1 1 1 1 303.0639 *303.0646* 303.0646@2.886589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1612 1 1 1 1 1 1 1 303.0646 *303.066* 303.066@2.3352346 1 1 2151 2003 2718 1 1 1 1 1 2356 1775 1 1 1 1461 2434 1 1 1 1071 1 1 1357 1201 1 1 1 1 1 1 1 1 1 1721 5953 1 1 1 2945 3647 1 3487 1567 1 1 1 1 1 1 1 1 1908 1 1 1 1 1 2615 1115 1 3834 2234 1 1 1721 1 1 1 5625 1 1 3325 1 1 1 1 1 2642 1 1 1 1 1 1 2353 1 1 1 3666 303.066 *303.0736* 303.0736@1.4560364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1 1 1 1 4524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2729 2773 1 1 1 1 1635 2037 1 1 1 1 1 1 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.0736 *303.0795* Chlorambucil 6672 6688 4295 5309 2287 2068 2575 2687 6416 6050 5397 4563 4815 4333 7825 7844 4873 5208 4824 4816 3982 4380 4641 3922 5213 5103 4745 4827 3153 3004 5050 5427 1 1 4198 4019 6303 6344 6435 4763 3272 4757 1964 1974 5688 5521 5563 6075 3921 4364 6905 5584 6029 5426 6461 6163 5371 5348 4696 4571 8609 9013 5182 5141 6672 6133 5919 5627 5898 6814 11402 11534 2514 2857 4213 5061 9180 8389 5923 5031 6976 7249 3727 4461 7143 6597 5334 5960 4671 5242 C06900 303.0795 *303.1471* 303.1471@1.8056107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2743 1 1 1 1 1 1848 1229 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1471 *303.1474* 303.1474@1.8771089 1 1 1 1 4080 5014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5025 7654 1 1 1 1 5264 7948 7803 7680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2860 2507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1474 *303.1478* 303.1478@6.3602777 1 1 6348 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 1 1 1 1 1 1 1 1 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 13180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1478 *303.1478* 303.1478@1.6927979 2398 1488 1 1 7277 10912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12725 22616 1 1 1 1 9803 10576 16222 19281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4857 9656 1 1 1 1 2844 3368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1478 *303.1676* 303.1676@6.6282253 1 1 3349 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 1309 1101 1 1 1 1 1 1 1 1 1 1 1 1 303.1676 *303.1746* 303.1746@1.2074391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 1 1 1 303.1746 *303.18* 303.18@1.202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 1 1 1 1 1 1 1 1 1 1 303.18 *303.1888* 303.1888@1.2036403 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1888 *303.1977* 303.1977@1.2014773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.1977 *303.2045* 303.2045@6.715346 1 1 1213 1176 1 1 1 1 1 1 1274 1 1 1 1 1 1504 1452 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1737 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2371 1 1 303.2045 *303.2055* 303.2055@5.217305 1 1 1 1 1 1 1 1 1 1 1 1 5597 5147 1 1 1 1 1 1 1 1 1 1 1 1 4081 4764 2781 3013 1 1 1 1 1 1 1 1 1 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 1115 1 1 1 1 1 1 1 1 1 1 1 303.2055 *303.2278* 303.2278@1.0687009 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 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 2634 1 1 1 1 1 1 1 1 1 1606 303.2278 *303.2378* 303.2378@1.0468665 1 1 1 1157 1082 1315 1 3102 1290 1591 1624 1 1 1 1176 1 1 1 1 1621 1694 1653 1 1 1 1 2368 1815 2818 1 1 1 1521 1 1 1 1 1 2579 1 2125 1 1 1 1 1 1 1 1 1299 2715 1 1 1 1 1 1 1607 1 1 1055 1 1319 1 1 1 1 1 1 1 1 1 1160 1023 1 1 1 1 1 1 1 1518 1 1114 1972 1 1 3222 1 1 303.2378 *303.2421* 303.2421@1.037547 1 1 1 1 1 1 1 1 1 1 1179 7118 21385 1 1 1 1 1 12405 1 1 1 7489 8271 2043 17441 1 1 1 1 1 1 1 7229 1 1 1 1 1 7988 1 11497 1 15288 33903 1 1 1 1 1 1 1 1 1 1 1 1 1 17564 1 1 1 1 1127 46783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.2421 *303.2784* 303.2784@4.6879444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1803 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 1 1 1 1 1 1 1 1 1 1 303.2784 *303.2833* 303.2833@4.104333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3433 1 1 1380 2762 1 1 1 1 1 1 303.2833 *303.2916* 303.2916@3.834802 1103 1 1 1 1 1 1 1 1 5444 1 1 1 1 1 1 1 1 1417 2923 1 1 1 4399 1 1 2710 1648 3256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1 1306 1617 1 1 1091 1 1 1 1878 1933 1446 1251 1 1 1 1 1 1 1 1 1 2688 1 1 1 1 1 2617 1 1 1 1 303.2916 *303.2918* 303.2918@3.8241146 1 1 1 1 1 1 1 1 6741 1 1 1 1 1 1 1 1 1 1 1 1 1 4989 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 1 1 1 303.2918 *303.2919* 303.2919@3.7418036 2794 1 1 1 1 1 1 1 15912 17766 1 1 1 1 1 1 1 1 1 1 1 1 12202 12433 1 1 4159 3953 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 7079 5347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 303.2919 *303.293* 303.293@2.8665445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2286 1 1 1 1 1 1 1 1 1943 2207 1668 1 1 1 1 1 1 1 303.293 *303.9068* 303.9068@1.0595167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 303.9068 *304.0773* 304.0773@2.7931538 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 1 1 1 1 1 1 1 1 1923 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.0773 *304.0941* 304.0941@3.268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 304.0941 *304.1233* 304.1233@5.023264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2525 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 1 1 1 1 1498 1 1 1 1 1 1 1 1 304.1233 *304.1243* 304.1243@1.9229765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1877 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 2323 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 1 304.1243 *304.1256* 304.1256@5.030644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1642 1 1575 1 1 1 1 1 1 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 1639 1 1 1 1 1 1 1 1 304.1256 *304.1281* 304.1281@1.2075877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 304.1281 *304.1319* 304.1319@1.9891734 1 1 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 2675 1 1 1 1 3191 3539 1 1 1 1 1 1803 1 1 1 1 1 1 1 1 2562 3045 1939 1 1 1 1 1 1 1 1 1 1 1 1843 2593 1 2291 3734 3355 1 1 1 2096 1 1 1 1 1 1 1 4990 1 1 1 1 1 1 1 1 1 1 304.1319 *304.1392* C16 H20 N2 O4 1 1714 2911 2699 2489 2756 2397 2389 1824 2503 2736 3533 1 1699 1 1 2024 2081 2645 2119 1696 1 1666 1 1 2107 1 1 1 1846 1 1 1 1 2250 1 1225 1 1 1 1 1888 2132 2326 1949 2557 1 2557 1 1 1 2007 2666 2171 2127 2052 3100 1 1960 1 2370 1 1 1 2544 1 1 1 2131 2118 2320 1 1879 2192 2476 1972 1676 1 1 1555 2114 2455 2106 1997 2540 2385 1843 2547 1391 1 304.1392 *304.1434* 304.1434@1.2003673 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 1 1 304.1434 *304.1469* 304.1469@1.9857087 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 1 1 1 1 1 1 1 1 1 1 2299 1 1 1 1 1 1 1 1 1 1 2706 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 1 1 304.1469 *304.15* 304.15@2.5961938 1 2931 1 1 7608 1 1 3856 3572 1 1 1 1 7470 1931 1 1 1 1 1 1 1 1 1 4691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1 3725 1 1 5507 6454 3383 1 1 1 1 1 1 4113 2590 1 1 1 2311 1 3324 3645 1 1 1 2528 1 1 1 1 1 4380 1222 1 1275 2379 2755 4544 27954 22938 2340 1946 1 1 1 1 1 1 1 1 304.15 *304.1503* 304.1503@2.6884055 1738 1 1 1 1 1 1 1645 1 1835 1 1 1 1 1319 1 1 1 1 1 1 1 1 1 1202 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 2616 1 1 1 1 1084 1 9192 12056 1 1 1 1 1 1 1 1 1 1 304.1503 *304.1511* 304.1511@1.1967192 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 1 1 1 1 1 1 1 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 1 304.1511 *304.1526* 304.1526@5.4570017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1526 *304.1531* 304.1531@5.491822 1 1 1 1791 1 1695 1 1493 1 1 1 2623 1 1 1995 1 1 1293 1506 1117 1 1 2063 1733 1281 2503 1202 1 2132 1 1 1 1 2093 1 1 1 1 2336 1 1 1 1 1 1790 1155 1212 1 1084 1 1 1 1 1 1 1099 1 2428 2347 1 1278 1 1145 1 1 1 1 1 2376 1 1 1139 1 1343 1188 1 1 1101 1 1 1238 1 1 1 1 1 1 1 1 1376 304.1531 *304.1568* 304.1568@1.1927694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1440 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 1 1 1 1 1 304.1568 *304.1675* 304.1675@1.1805736 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1675 *304.1787* 304.1787@1.0619408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1787 *304.1842* 304.1842@1.0594563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.1842 *304.1893* 304.1893@5.4210615 1 1 1 1 1 1 1799 1797 1 1 1 1 1 1 7153 6546 1913 3002 8651 8282 1512 1405 1320 1692 1 1 1 1 1338 1067 1 1 2436 1809 1 1 4023 4217 1 1 2725 3003 2480 1523 1 1 1418 2412 1 1 1 1 2423 2097 1 1 1 1 1895 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2228 1 1 304.1893 *304.1899* 304.1899@1.0597181 1 1 37334 36748 1 9604 1 1 1 1 1 2062 1 1 1 1 1 1 1 1 1 1 1 1 397777 388487 1 1922 1 1 13255 9996 1 1 1 1 6011 6865 1 1 1 1 30300 31697 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 38791 36535 1 1 1 1 1 1 1 1 1 1 29444 29788 1 1 1 1 1 3063 1 1 1 1 1 1 1 1 2277 1 1 1 304.1899 *304.1952* 304.1952@1.0701816 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4696 1 2398 1 1 1 1 1 1 1 1 1 304.1952 *304.2009* 304.2009@1.0684328 1 1 1 1 2108 1 2540 2297 1 2324 1 1 1 2633 1030 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 1933 1117 1 1 1 1 1412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3064 2883 1 1 1 1 1 1 1 1 1 2934 1 2335 2617 1 1 1 1 1775 1065 1 304.2009 *304.2071* 304.2071@1.0668341 1 1 1 1 1 1 1 1 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.2071 *304.2122* 304.2122@1.0507056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 304.2122 *304.2501* 304.2501@1.2984607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 304.2501 *305.0228* C19 H3 N3 O2 3956 3768 4228 4158 4418 5148 5674 5111 4171 3865 4418 4041 4861 5036 4187 4443 4745 5150 5248 4772 4228 4510 4695 4725 5180 5766 5213 5039 7025 6755 3649 3579 3021 3099 4279 4036 4361 4069 2893 3030 3572 3711 4580 4571 4454 4554 5039 5070 4079 4473 1 1 2016 2463 2444 2633 3401 3079 3720 3416 1 1 2639 2497 1 1 1 1 3985 3463 1 1 4008 3775 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 2595 2764 305.0228 *305.1542* 305.1542@2.6030366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.1542 *305.1725* 305.1725@1.0581604 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 2874 1 1 1 1 1 1 2750 2678 1986 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 3394 3309 5004 4940 1 1 1 1 1 1 4460 5018 1 1 1 1 1 1 1 1 1 1 1 1 1538 1504 1666 1 1 1 1 1 1 1 1959 1968 1 1 1 1 305.1725 *305.1752* 305.1752@1.0618578 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1367 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1655 1814 1 1539 1 1 1 1 1 1 1 1 1688 1 1 1 1 1 1 1 1 1519 1 2342 1 1 1 1 1 1 1 1 1 1 305.1752 *305.1875* 305.1875@1.0641992 1 1 1 1 1 1 1 1 2568 1 1 1 1 1 1 1 1 1 1 1044 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.1875 *305.1969* 305.1969@1.2065222 1 1 1 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 1112 1362 1 1 1 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.1969 *305.204* 305.204@1.2055452 1 1 1 1 1 1 1 1 1 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.204 *305.2052* 305.2052@2.0257282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 1299 1 1 1744 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 1 305.2052 *305.2359* 305.2359@2.7615376 1 1 8012 7619 1 1 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 1379 1 1 1 1 1 1 1 1 1 1 2682 3153 2465 2174 1 1 1 1 1 1 2558 3143 1 1 1 1 1983 2164 1 1 1 1 6306 6567 1 1 1 1 1 1 1 1 1 1 11085 11693 1 1 3030 2026 1 1 1 1 1 1 1 1 305.2359 *305.2366* 305.2366@2.9812021 1 1 1072 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.2366 *305.2558* 305.2558@1.1626341 1 1 1 1 1 1 1 1 1 1181 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 305.2558 *305.265* 305.265@1.1613896 1 1 1832 1559 1 1 1089 1 1185 1 2739 1748 1 1 1 1 1 1 1 1 1528 1676 1459 1416 2260 1589 2865 3616 1219 1376 1 1 1 1 1 1077 1989 1758 1 1 1 1523 1 1 2119 2585 1 1 1 1 1 1 1471 1360 1868 2151 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1438 1 1 1 1972 1361 1 1 305.265 *305.2703* 305.2703@1.161218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1 1 1 1 1 305.2703 *305.2923* C13 H35 N7 O 4966 4686 5956 5655 5581 6094 9134 8525 8063 8360 6780 7114 6864 7505 7193 6860 6139 6483 5908 6412 1 8504 6282 7265 5843 6088 6519 6970 7410 7342 6392 6729 5382 5111 4687 4311 7290 7437 5574 6395 5285 5424 5883 6387 6259 6404 4021 6217 4381 4773 14197 13012 10358 10067 5813 5539 4809 4266 5645 5582 8686 9020 6102 5236 6616 6633 7536 7069 7770 7189 3266 2977 5283 5165 4381 4366 4009 4563 9492 9031 9058 7966 17145 16615 3864 4224 9017 9407 6977 6928 305.2923 *306.0169* 306.0169@2.0392904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0169 *306.0199* C14 H10 O6 S 19934 19301 15136 20835 20412 18447 25804 27072 19690 17733 20377 19837 23536 20889 14102 18504 22264 25097 25714 24347 21396 17905 18201 20168 24504 26006 22364 21956 30768 34348 16000 20100 11218 14569 19725 21811 19788 19543 16076 13282 13469 12900 23064 20915 21894 21842 20882 24601 18149 18203 4916 2644 6812 8653 10091 10949 14177 12781 17406 14705 1 3200 13699 12979 7984 8590 5397 5565 16742 15424 1 3574 20063 17962 6057 6536 4928 1 3022 1 4031 4212 4265 5279 3288 3476 2695 1541 11400 11203 306.0199 *306.0238* 306.0238@2.9019766 1 1 4479 1 1 1 1 1 1 1 1 1 1 5272 6248 1 1 1 1 1 1 4174 4950 1 5559 1 3072 1 3512 1 1 1 4973 1 1 1 1 1 1 1 4757 5292 1 1 1 1 1 1 4764 1 3844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3650 1 1 1 1 1 1 1 1 1 1 1 1 1371 2479 1 1 306.0238 *306.0248* 306.0248@2.0329368 1 1 1 1 1 1 1 1 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 2698 1687 1 1 1 1 1 1 1 1 1 1 306.0248 *306.0302* C8 H19 Cl N2 O2 S3 1 1 1 1 3184 3944 1 1 2200 2671 1538 3123 1642 1 1 2125 3559 1 2045 1 1 1 1 1 1 2315 1 3546 1 1 2714 1387 1 1 3300 2351 2377 2631 1 2571 1 1 1 1 1597 1 4803 1620 1 1 1 1 2869 2745 3749 2060 4192 4062 1844 2702 2430 3797 1475 1195 1 1 1 1949 2238 4666 1 1 1 1 2513 2764 1 2256 1 1435 1 1 1 1 1 1 1 1 2184 2531 306.0302 *306.0359* 306.0359@2.9387338 1 1516 1 1 1 1 1 1 1 1 2030 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1917 1 1 1 1 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0359 *306.0598* C15 H15 Cl N2 O S 9221 6498 6698 6331 9235 8278 6922 6583 9582 9098 7885 7233 9014 8936 6972 6727 9649 7042 7210 7577 6914 6663 7229 7250 7278 6032 7232 7169 6186 6528 7850 7755 7024 7125 7248 7545 10893 10754 7670 7700 7455 7581 7100 6534 7033 9002 8518 6613 5043 6910 7141 7201 6674 7045 6540 7117 6917 6721 7627 7166 11168 8441 7794 8446 7179 7649 8650 8377 7554 7170 8542 8639 8959 6621 6732 7294 8157 8181 9337 7078 8304 10770 7257 7430 11539 12049 8172 3497 8345 2149 306.0598 *306.06* 306.06@4.0531974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 9030 306.06 *306.0976* 306.0976@2.8864307 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.0976 *306.1047* 306.1047@1.6337557 1 1 1 267693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1047 *306.1049* 306.1049@1.5906997 1 1 1540853 1191408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1049 *306.1055* 306.1055@1.4181547 1 1 4142018 4194025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1055 *306.1159* Promazine 2576 2747 2341 2669 2381 1883 1335 1482 5444 5394 1564 1989 1 1 4353 4355 1 1 2218 2071 1 1 1 1465 1 1 1 1 1 1 1604 2111 3848 3739 2586 2536 1354 1492 8158 7815 1 1 1 1115 2666 3114 1516 1253 1206 1360 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 1609 1553 1580 1 1 1 1 1 1 1 1 1 1 2009 2034 2631 2769 1 1 1558 1 C07379 306.1159 *306.127* 306.127@2.0774407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3334 3414 1 1 1 1 1 1 1 1 1 1 306.127 *306.1835* 306.1835@1.212741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1245 1 1 1 1 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1 1 1 1 306.1835 *306.1888* 306.1888@1.1226271 1 1 1 1 1 1 1 1773 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1050 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 3347 2515 1 1019 1 1 1 1 1 2997 1 1 1542 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 306.1888 *306.1942* 306.1942@1.056819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 306.1942 *306.1978* 306.1978@1.1264538 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1025 1 1 1 1 1 3035 3254 1 1 1 1 1 1 1 1 2839 1 1 2291 1 1 1388 1 1 1 1 1 1 1 2174 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1367 4035 4870 1 1 1 2039 1 1 1 1 1 1 1 1 1 1 1 2279 1 1 1 1 1900 1907 1 1 1777 2053 3202 3907 306.1978 *306.2007* 306.2007@1.0677931 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 1 1 306.2007 *306.2072* 306.2072@1.0574741 1 1 3174 3499 1 1 1803 1 1 2834 1 1 1 1 1 1 1 1 1 1 1 2387 2021 2011 1 1 3089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1481 2560 1 1 1 1 1 1 1 1 2243 1749 1 1 1 1 1940 1811 1 1 1 1 2355 1 1 1 1039 1 1 1 1 1 1 2687 1 1 1 1 1 1 1 1 1 1 306.2072 *306.2112* 306.2112@1.0589609 1 1 1 1 1 1 1 1 1 1 1 1 2536 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 2652 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2112 *306.2288* 306.2288@4.608445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2288 *306.2299* 306.2299@1.1285017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2299 *306.2415* 306.2415@1.120581 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5466 1 1 1 1 1 49455 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 1 306.2415 *306.2476* 306.2476@1.13964 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 1 1 1 3041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2476 *306.2492* 306.2492@1.5936878 1 1 37323 35743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2492 *306.2542* 306.2542@1.1403798 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 22271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9734 1 1 1 1 1 1 306.2542 *306.3123* 306.3123@1.5961878 1 1 10780 12252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.3123 *306.7924* 306.7924@1.4197079 1 1 5739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.7924 *306.8156* 306.8156@1.4056404 1 1 1 4187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.8156 *306.9485* 306.9485@1.4156029 1 1 1 5790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.9485 *307.0209* 307.0209@1.4433022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2433 2312 1 1 1 1 307.0209 *307.0367* 307.0367@3.292806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2646 1 1 1 1 1 1 1 1 1 1821 307.0367 *307.0432* 307.0432@3.57127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88763 88447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0432 *307.0981* 307.0981@7.314482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3594 1 1 1400 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0981 *307.1273* 307.1273@2.0774417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7705 7296 1 1 1 1 1 1 1 1 1 1 307.1273 *307.1435* 307.1435@1.8100659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 307.1435 *307.1451* 307.1451@7.507839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 307.1451 *307.167* 307.167@1.4385939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6247 5515 1 1 1 1 1 1 1 1 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 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.167 *307.1684* 307.1684@2.7327058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4325 5119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1684 *307.1686* 307.1686@2.6185985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18389 18812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1686 *307.2007* 307.2007@1.1787722 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 3064 1 1 1 1 1 4003 1 1043 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 1 1 1 1 1 1 1 1 1508 1 1 1 1 1 1 1118 1 1 1 307.2007 *307.2026* 307.2026@1.1660074 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2026 *307.2056* 307.2056@1.1375449 1303 1 1634 1 1 1006 1 3049 1 1 1 4179 4175 3271 1285 1 1 2407 2363 2620 1044 1 1408 1 1 1 1 1 1 1 1 1380 1 1962 1 1073 1 1 1291 1 1474 1902 1 1 13393 1 1 1 1 1 1 1 1 1 1550 1084 1 1 1 1 1 1 1341 1155 1 1 1 1 5886 1 1 1 1 1 1 1578 1 1 1 1 1 1 1268 1 1025 1747 1 1301 1 1 307.2056 *307.2108* 307.2108@1.2050146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 3565 4000 1 1052 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2484 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2108 *307.2287* 307.2287@1.0664433 1 1 1 1015 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2287 *307.234* 307.234@1.0727357 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.234 *307.2527* 307.2527@1.416599 1 1 1 14703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2527 *307.2635* 307.2635@1.1343294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1808 1762 1 1 1 1 1 1 1 3123 1655 1 1 1 1 1 1 1 1 1 1 1 1589 1 1 1 1 1 1 1197 1 1 1 1 1 2752 1 1 1 3183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3720 1062 1 1 1 1 1 1 1 2326 3204 1 1 1 1 307.2635 *307.2692* 307.2692@1.133207 1 1 1 1 1 1 1083 1 1 1 1 1 1 1876 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 1 1 1 1 1 1 1 1 1 2445 1 2153 1 1 1 1 1 2316 1 1 1 2356 1 1 1 1 1 1 1625 1 1 1 1 1 1209 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.2692 *307.273* 307.273@1.1464913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 307.273 *307.2826* C11 H33 N9 O 4865 4105 1 1 4973 5028 5729 1 6486 6794 1 1 6335 4561 6029 6311 3518 3928 3759 3595 5806 6247 8185 1 12030 8847 1 1 6155 8139 6072 5711 5671 2943 1 7477 1 1 6155 6081 1 1 6681 9713 1 1 2479 2958 1913 4517 4167 5522 6550 6322 1 1 1 1 3343 3260 1 1 10293 6610 6217 6061 5786 4183 5921 7715 2404 2713 5743 3976 2052 1 4192 5649 6194 6132 1 1 1 1 1 1 1 1 4422 4731 307.2826 *307.2862* 307.2862@1.1647719 1 1 10396 11193 1 1 1 5850 1 1 31295 30859 1 1 1 1 1 1 1 1 1 1 1 7124 1 1 34511 31328 1 1 1 1 1 1 7405 1 20866 20932 1 1 14151 15386 1 1 37159 33581 1 1 1 1 1 1 1 1 20054 21132 1 1 1 1 6615 6641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14669 16360 19839 17780 1 1 10066 9636 1 1 307.2862 *307.3085* 307.3085@1.4846164 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.3085 *307.3142* 307.3142@1.4156029 1 1 1 8205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.3142 *307.3214* 307.3214@1.4197079 1 1 6608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.3214 *307.7895* 307.7895@1.4185916 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.7895 *307.7966* 307.7966@1.1266291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.7966 *307.8113* 307.8113@1.4177108 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.8113 *307.9516* C17 H5 Cl S2 5167 4858 5317 5361 5417 5454 5163 5208 5617 5578 5474 5258 5529 5523 5565 5425 5657 5736 5869 5464 5787 5871 5804 5936 5285 5658 6012 5949 5339 5423 5704 6012 6057 5858 5799 5811 5497 5263 5986 5878 5717 6134 5971 5339 5890 5751 5318 5740 6040 6305 9289 9344 7626 7786 6684 6941 6642 6815 6271 6252 9125 8974 6202 6122 8237 7581 7307 7582 6334 5728 10106 10283 5606 5659 6803 7148 9223 9269 8948 9020 9198 9784 9113 8598 9966 9369 9865 9615 6897 7957 307.9516 *308.017* 308.017@1.5011566 1 1 1 1 1 1 1 1 1 1684 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.017 *308.0174* 308.0174@1.4471573 1 1 1 1 1 1 1075 1771 5749 4495 1 1 1 1 5242 6390 1 1 1286 1 1 1 2094 1964 1 1 1 1 1 1 1 1580 1 1 1332 1278 1 1 1262 1514 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6333 5903 1 1 1 1 1 2115 1 1 7222 7516 1241 1 1 1 1 1 1815 2243 1 1 1 1173 1 1 12865 13326 2783 1 1 1 308.0174 *308.0341* 308.0341@3.3617332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 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 1292 1 1 1 1 1 1 1 1 1 1 1 1 308.0341 *308.0351* Sulisobenzone 1 1 1 1 5672 5335 4920 4418 2291 1 1 1 1 1 1 1 1 1 1 2691 8356 7376 2195 2204 1 1 2781 2950 1 1 1 1 1 1 1 1 1 1 1656 1868 1 1 1 1920 1 1 1293 3183 1 1 5482 2254 2781 2861 1 1 1995 1 1 1 5538 4016 1 1 2759 4277 2128 2237 1 1 6223 7459 2247 1 1 1883 5851 4183 12279 10995 4403 4747 4457 4358 4738 6188 3736 4182 9537 10579 308.0351 *308.0572* C11 H16 O8 S 1 2194 2174 2549 1 1 1 2060 1 1 2309 2460 1 1 1827 2123 1 2314 2205 2540 1 2084 2530 1352 1 2234 1 2180 2092 2217 1829 2362 2229 2279 1976 2120 1 1 2052 2452 2587 2397 2147 2006 1 1 1010 2169 2038 1983 2079 1 2430 2446 2273 1928 2077 2036 2381 2185 1 2512 2446 2202 1 2709 2915 2386 2302 2318 2432 2463 1 1 2231 2196 2284 2466 1 2175 2805 1 2514 2374 1 1 2386 2221 2809 1 308.0572 *308.0879* 308.0879@1.6817759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6165 6937 1 1 1 1 1 1 1 1 308.0879 *308.0931* 308.0931@2.0444736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3624 3001 1 1 1 1 308.0931 *308.1048* 308.1048@2.0487595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 308.1048 *308.114* 308.114@2.0547597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1274 1 1 1 1 1 1 1 1 1 1 1 1 1406 308.114 *308.1282* C17 H16 N4 O2 4447 1 1 3418 1 1 1 1 5363 4667 2774 2747 3970 3568 5485 4352 1 2826 4555 4148 2731 1 4532 4164 1 3400 4937 3683 1 1 3319 3369 1 1 1 1 4354 5125 4536 4018 1 1 1 1 1 3637 4958 4808 4090 4362 1 4759 1 1 1073 5368 3703 1 1240 6254 7055 7234 1 3413 1 1621 1 1 1 1 1978 8316 1 1 1 1 1 5702 1 1 6833 1325 2730 1 1 1 1 3679 1 1 308.1282 *308.1402* 308.1402@1.1965561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 308.1402 *308.1434* 308.1434@1.2066468 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 2604 1 1 1 1 1 1 3095 1 308.1434 *308.144* 308.144@1.7840832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19926 1 1 1 1 1 1 1 1 1 1 1 308.144 *308.1704* 308.1704@6.744581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1034 1 1 1 1 1 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 1 308.1704 *308.1789* 308.1789@1.1494142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1789 *308.1866* 308.1866@1.1401008 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1866 *308.1946* 308.1946@1.1205018 1 1 1 1 1 1 1 1125 9986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 2329 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 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 4358 1 1 1 1 1 1 1 1 1 1850 308.1946 *308.1997* C11 H28 N6 O2 S 8573 6826 11536 9179 9672 4683 21931 23728 7071 15251 13806 7438 21123 41870 20614 21596 15831 15929 13213 22350 8079 7626 5099 5816 26961 13346 11275 12131 21395 23856 84189 86653 13936 6351 6160 7757 15085 27571 11169 6854 22071 10978 31575 14487 34667 66602 24941 45214 7749 10388 11274 10463 42332 43696 24746 21593 29436 26908 23352 40701 100566 98724 26466 29038 52321 98431 24352 24203 30278 26872 13319 12710 56649 57791 43853 41926 26611 28828 18659 19177 25903 26141 23512 23959 4651 3732 34597 33364 75141 73554 308.1997 *308.2145* 308.2145@1.2270805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.2145 *308.2179* C12 H24 N10 8552 8732 7091 7279 9010 10314 7575 9195 5665 10693 10013 9304 8836 4350 9711 8256 6246 8106 6202 7043 1 12279 8128 8398 5426 10996 6043 5288 10513 4513 7595 6103 4703 9195 6904 6119 8619 8465 9044 8691 5556 6353 8367 7752 12270 4436 7030 7205 7536 1 8608 7557 7760 7589 10589 8038 8759 10437 10831 9729 6343 6350 8758 10093 9462 7858 8421 10163 6215 7619 6561 6915 6246 6633 5581 5572 6203 4991 11503 11531 4035 4505 6418 8604 7263 5999 9448 10965 7250 6839 308.2179 *308.3443* 308.3443@1.4207066 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.3443 *308.9826* 308.9826@5.841341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1257 1 1 1 1 1 1 1071 1049 1 1 308.9826 *309.0781* Glymidine 1294 1 1892 1 1 1309 1917 1840 1669 1741 1 1 1430 1590 1 1264 1623 1 2649 2467 1545 1 1969 1836 1411 1573 1556 1 1 1 1084 1 1 1625 1712 1604 3164 3548 2376 2029 2073 1911 1969 1989 1871 1881 2188 2065 1363 1561 2145 1949 2829 3011 1 1 1310 1398 2915 2828 2167 2047 2520 2410 2112 2333 1 1431 1790 1951 2246 2501 1209 1380 1 1369 2013 1917 1962 1 2140 2328 1884 2296 2568 2606 1 1985 3523 3685 C12791 309.0781 *309.124* 309.124@2.8496335 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 1673 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.124 *309.1386* 309.1386@2.0924332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 2692 1 1 1 1 1 1 1 1 1 1 309.1386 *309.1406* 309.1406@1.7750442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55708 57832 1 1 1 1 1 1 1 1 1 1 309.1406 *309.1428* 309.1428@7.5036387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.1428 *309.1998* 309.1998@6.147863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14325 12905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10137 1 1 1 309.1998 *309.2056* 309.2056@6.1543164 1 1 1 1 6377 4440 1 1 1 1 1 1 1 1 1 1 5835 4310 4802 5675 1 1 1 1 1 1 5410 3942 1 1 1 1 1 3449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4948 1 1 1 1 1 1 1 1 4828 4956 1 1 1 1 3063 1 1 1 4085 5346 1 11218 1 1 309.2056 *309.2073* 309.2073@1.0459105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3204 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 1 1 1 1 1 309.2073 *309.2126* 309.2126@2.0007145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2126 *309.2169* 309.2169@1.1401054 5170 1 1 1 1 1 1 1 1 1 3452 5852 1 1 1 1 1 3598 3228 1 1 1 1 1986 1 1 1 1 1 1 4603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4196 1 1 1 1 1 1 3912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2169 *309.2175* 309.2175@6.1470184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2582 1 309.2175 *309.2189* 309.2189@1.9960304 1 1 1 2429 1 1 1 1 1 1 3351 2345 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 2685 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 1966 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2189 *309.2253* 309.2253@1.9866271 1 1 1 1 2458 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 1699 1 1 2548 2005 1 1 1 1 1 1984 1 1 1 2576 1990 1 1 1 1 1 1 1 1027 1 1 1 1 1826 1942 2742 2855 1911 1971 1 1 1 1485 2788 2639 1800 1 2180 2709 1418 1 1 1 1504 1374 1 1 1823 2167 1 1216 1 1 309.2253 *309.2255* 309.2255@3.007749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2255 *309.2259* 309.2259@1.2139467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5813 1 1 1 1 5691 1 1 1 1 1 1 1 309.2259 *309.2265* 309.2265@3.3257477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2265 *309.2266* 309.2266@1.2105317 1 1291 1 1 7652 6255 1 1 1 1 6169 8026 1 1 1 1 1 7051 1 10168 5507 1 4927 4347 1 1 4830 5486 1 1 1 1 1 1 1 1 7430 6595 5810 1 1692 4815 8383 1 6266 1 1 1 1 1 3783 1 1 1 6592 1 4340 1 1 1 4368 3558 5934 6493 5195 6021 1 1110 1 1 5994 6029 1 5106 1 4607 1887 1983 3803 4119 17656 2632 3480 1 1 5365 1 1 1 1 309.2266 *309.2268* 309.2268@1.6208423 1 1 1 1 2347 1 2175 1 5313 2317 1 1 1 1 1 1 2767 1 1 1544 1 1 1 1 1 1 1 1 1 1 3304 1 1022 1 1 1 1193 1 1 3003 2954 1 1 1 1 1 1 1865 1520 1 1 1 1 1764 1 1 2503 1 1 1 2297 1535 2212 1 1 1764 1 2047 3622 1 1 1 1 1 1906 1 3060 3489 1 1 4613 1 3593 2219 1 1 1 2863 1 2788 309.2268 *309.227* 309.227@3.8365955 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 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 1864 1 1 1 1 1 309.227 *309.2271* 309.2271@2.9208624 1 1 1 2949 1 7212 1 1 1 1 5090 5011 3488 1 2811 1 5140 3931 1 1 1 1 1 1 1895 4229 1 1 1 1 1 1 1 1 1 2063 1 3274 1 1 1 1 1 5193 1 2395 2999 2448 1 1 1 1 1 1 3614 1 1 2212 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 3853 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2271 *309.2274* 309.2274@4.3590727 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 1007 1 1 1 1 1 1 1 2256 1 1 1 1 1 1 1 1 1 1 3906 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2274 *309.2275* 309.2275@5.1170645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 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 4853 3094 1 1 1 1 1 1 1 1 1 1 309.2275 *309.2276* C14 H27 N7 O 9651 6184 2110 1 1 1 10110 11129 8579 12619 1393 1 13809 13798 10357 12022 8813 9831 9819 7450 1 4846 1967 11851 1 1 9241 7523 1618 1 8880 11247 1 2278 1 11531 7689 7392 10247 9659 4230 17578 1 1 1882 4653 9609 10168 1740 1232 1 9870 15362 14315 1 1 5709 1 9144 9160 5204 5188 1 1 8003 9109 3002 2866 8622 8887 1 4255 14710 12932 11504 12157 13429 18221 1 7214 11130 1 6752 1 11039 10107 6899 6509 12088 10078 309.2276 *309.2276* 309.2276@0.65895426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1021 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 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 1803 1 1 2537 1 2659 309.2276 *309.2277* 309.2277@3.6880002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1 1 3817 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 309.2277 *309.2278* 309.2278@6.656905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3573 1 1 1 309.2278 *309.228* 309.228@1.401098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 10439 1 1 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 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1331 1 1 309.228 *309.228* 309.228@4.365092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.228 *309.2281* 309.2281@4.236747 1 1 1 1 2722 1 4859 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2548 1797 1 1 3116 1 1 1 1 1756 1 2040 1 1 1 1403 1 5941 1 2746 3941 1 1 5203 7679 1 1 1 2813 1 1 1 1 1 1 1 1 1 1 1 5622 1 1 1 2038 1 1833 1 1 1 1854 1 1 1 1 1 1 1 1 1 1 1 5490 1 1 1 1 309.2281 *309.2283* 309.2283@3.9606476 1 1 1 1 1 3837 2734 1 1 2227 1 1583 1 1 1273 1 1 1 1 1 1 2521 1 1 1721 3466 3207 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 4121 5084 1 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2283 *309.2285* 309.2285@5.791776 1 1 1 1 1 1 1 1 1 1 3973 1 1 1 1 2991 1 1 1 3814 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 3951 3662 1 1 1 1 1 1 1 1 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2285 *309.229* 309.229@2.9279692 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 2555 1 1 1 3977 1 1 1 1 1 1 3918 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.229 *309.2385* 309.2385@6.2866516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6466 8350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 309.2385 *309.3011* 309.3011@1.1090996 1215 1128 1694 1381 1436 1219 1189 1 1072 1371 2729 1789 1166 1 1335 1105 1006 1415 1311 1153 1 1 1 1 1504 1320 1435 1364 1498 1558 1 1200 1 1 1304 1597 2156 1637 1697 1495 1466 1 1354 1233 2833 2213 1 1 1193 1 1927 1264 1335 1574 1679 1616 1 1 1 1206 1 1494 1570 1262 1 1092 1 1262 1494 1061 1356 1318 1276 1 1218 1 1226 1 1 1503 1184 1197 1713 1633 1 1 1603 1985 1159 1 309.3011 *309.908* C5 H8 Cl2 N2 O3 S3 1192 1075 1420 1177 1447 1384 1394 1293 1228 1570 1258 1188 1535 1365 1426 1538 1369 1192 1354 1609 1631 1698 1858 1765 1263 1364 1852 1683 1090 1459 1695 1822 1637 1659 1890 1368 1529 1440 1836 1327 1671 2093 1754 1822 1587 1532 1662 1326 1809 1843 2134 2415 1921 2276 1945 1820 1616 2435 1772 1832 2188 2361 1653 1622 1997 1892 1770 2019 1862 1332 2796 2595 1567 1685 1 1766 2219 2480 2072 2446 1969 2126 2528 2188 2310 2394 2411 2069 2036 1813 309.908 *310.1439* 310.1439@2.1078613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 1 1 1 1 1 1 1 1 1 1 1 310.1439 *310.1486* 310.1486@4.1518784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46738 46983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 65682 64793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1486 *310.1513* 310.1513@2.0416827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1174 1 1 1 1 3416 1 1 1 1 1 2016 2824 1 1 1 2104 1 1 1420 1373 1 1 1 1 310.1513 *310.1588* 310.1588@2.0450492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3006 1 1 2582 1 1 1 1 1 1 310.1588 *310.1665* 310.1665@1.9392267 2269 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 1085 1 1 1 1 1 1 1 1 12504 14066 1 1 1 1 1 1 1 1 1 1 310.1665 *310.1676* 310.1676@2.0613184 1 1 1 1 1 1 1 1 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.1676 *310.1699* 310.1699@1.424564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 310.1699 *310.1796* 310.1796@2.8801548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1 1 1757 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 1 1 1951 1 1 1 1 1 1 1 1 1 1444 1 1 2372 1 1 1 1 1 1 1 1 310.1796 *310.1818* 310.1818@1.1385078 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 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 1 310.1818 *310.196* 310.196@1.1319739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 3025 1 3483 1 2976 1 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 1 1 1752 1 1 1 1 2724 2054 1 1 2767 1 1 1212 1405 1 1 1 1 1 1 1 1 1 1867 2417 1 1 1 3898 1 1 1 1 1 1 1 1 1 1 2079 310.196 *310.2012* 310.2012@1.453207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2012 *310.202* 310.202@1.1375462 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1841 3457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1167 1 1 2707 1 1 1 1 1 1 1 1 1 1 1887 1613 2716 1 1 1 3047 1 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 6096 1 2452 1 1 1556 1 1 1473 1372 2621 310.202 *310.2061* 310.2061@1.1046147 1 1 1 1 1 1 2402 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 3140 1 3523 1 1 1 1 1 1 1 1 1 1869 1 2787 1 1 1 1 4816 1 1 1 1 1 1 1 1 1 1 3911 1 1 1 1 1 1147 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1540 1 1 4209 3876 1460 3171 1 3437 1 1 3684 3699 4535 1220 310.2061 *310.2064* 310.2064@1.4707899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4122 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2064 *310.2121* 310.2121@1.4608974 1 1 1 1 1 1 1 1 1 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 4378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2121 *310.2126* 310.2126@1.1307675 1361 1 1 1 1 1 1424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 2408 1 1 1 7305 6956 1 1 1 1 1 1 1 1 1 2819 1 1 1 1 1 1 1 1 1904 1 5024 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 4410 1 1 1 1 1 1 1984 1 1 310.2126 *310.2161* 310.2161@1.1596591 1 1 1 2048 1 1 1 1 1 1669 1 1 1645 1 1 1 1 1 1 1 1 1 1 1 1326 1 1 1140 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15848 1 1 1 1 1206 1 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2198 1 1 1 1 1 1 1548 1 1 1 1 1 1 310.2161 *310.2178* 310.2178@1.2051486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 310.2178 *310.2199* 310.2199@1.4906534 1 1 1 1 1 1 1 1 1 1 1 1 1 3180 1 1 1 1 5046 6278 1 1 1 1 1 1 1 1 4568 1 1 1129 1 1 1 1 1790 1599 1 1 1 1 1 1 5401 4080 1 1 1 1 1 1 1 1 1 1 3874 4061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3291 1 1 1 1 1 1 4560 1 1 1 1 1 1 310.2199 *310.2237* 310.2237@1.5107193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11532 8443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2237 *310.2282* 310.2282@1.0512687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.2282 *311.0335* 311.0335@5.8136783 1 1 1 1 1 1 1 1 1 1 1305 1382 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 1177 1179 1 1 1 1101 1 1 1 1324 1400 1 1 1 1 1 1 1 1868 1498 1 1 1205 1462 1 1 1 1 1387 1505 1515 1792 1023 1136 1641 1843 1712 1851 1 1226 1481 1254 1246 1042 2376 2454 1 1 311.0335 *311.0351* 311.0351@5.762575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 1 1 1 1 1270 1 1 1 1 1322 1 1408 1754 1 1 1711 1637 1 1 1 1 1648 1 1 1 2648 2410 1 1 311.0351 *311.1128* 311.1128@5.5143623 1343 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1 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 1420 1 1 311.1128 *311.1245* N2,N2-Dimethylguanosine 6274 6928 5142 5217 6424 4120 9192 6492 5820 6623 10226 10583 6967 7478 7722 6972 6380 8517 11049 7186 5660 9431 7367 7615 2837 3118 6547 5885 3449 4034 1 1 9191 8749 8296 5585 8949 8704 9261 9298 7988 11130 6395 5177 4337 6543 8122 7869 10314 9272 10519 10273 9466 10444 4703 7558 4633 5480 8664 8060 10646 10722 7287 7228 13381 12705 15855 14805 7459 7357 8669 13815 4900 3852 10682 10989 5380 8101 7633 7350 11646 12625 8074 7596 16059 15867 10466 10081 7984 8242 HMDB04824 311.1245 *311.1273* 311.1273@2.5124307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1176 1 1 1 1 1 1 1 1 1 1 1 1 1613 5232 1 1 4524 1 311.1273 *311.1276* 311.1276@3.4586284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1276 *311.1394* C13 H29 N O S3 4549 4534 3315 3137 1 1 2863 3189 4703 4652 3061 2602 4338 4517 3887 4182 3571 1 3313 4016 3209 3421 4684 4523 3181 2675 3413 3945 1803 2092 3361 3019 1 1 2956 2181 4489 1 4565 3785 3512 3741 1 1625 3659 3026 4108 3875 3829 3153 5161 5394 6266 6897 5151 4645 3237 3453 1 1 8749 9555 5414 5439 6973 7012 1 4206 4479 4342 11559 12162 1 1932 3550 3303 8953 8807 6658 5960 9796 8994 4885 5873 8742 8707 5126 5554 7632 8604 311.1394 *311.1447* 311.1447@2.0513997 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1447 *311.1591* 311.1591@1.1034663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10826 9705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8032 8409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1433 2841 2587 10956 14581 1 1 311.1591 *311.1658* 311.1658@1.1016737 1 1 1 1 1 1 1 1 1 1 1877 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1658 *311.1777* 311.1777@1.1035951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1777 *311.1864* 311.1864@5.81174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1660 1625 2012 1863 1763 1 1735 1686 1851 1 1 1524 1430 1345 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 311.1864 *311.1877* 311.1877@6.4921885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1877 *311.1905* 311.1905@1.2127018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1905 *311.1915* 311.1915@1.7745159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3794 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.1915 *311.1922* 311.1922@1.6602885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 311.1922 *311.1951* 311.1951@3.680112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 311.1951 *311.1995* 311.1995@1.1007878 1577 1 1 1 1 1 1 1 1 1 1097 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 2103 1083 1 1 1 1 1149 1 1 1 1 1 1 1 1 1 1 2193 1 2825 1 1 1174 2445 1 1 1 2515 1 1 1 1 1135 1 2225 1 1 1 1 1 1 1824 1 1197 1 1 1155 1 1 311.1995 *311.2039* 311.2039@1.0964518 1 1 1 1 1 1 1 1 1 1 1 1 1890 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 2070 1 1 1 1 1 1 1 1838 1 1 1 1 1 1 1 1 1 1013 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 1 311.2039 *311.2049* 311.2049@1.1305398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1454 1 1 1 1 1 1 1 1 1 1 1 1 1087 1 1 1 1 1 1 1 1 1628 1179 1 2165 1 1 1 1 1 1 1 1683 1 1 1 1 1345 1 1 1 1333 1 1 1339 1987 1 1 1 1 1 1 1183 1 1 311.2049 *311.2068* 311.2068@6.1496296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 311.2068 *311.2074* 311.2074@1.0744985 1 1 1 1 1614 1 1736 1 1811 1437 1 1 1 1946 1 1 1 1 1 1 2122 2191 2398 2693 1337 1 1 1 1353 1886 3552 3517 1 1 1630 1 1 1565 1 1 1 1 1 1 2155 1998 1 1 1 1623 3023 1870 2216 2338 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1546 1 1 1 1 1053 1722 1 1934 1 1 1 1 1 1 2901 3423 311.2074 *311.2107* 311.2107@6.145758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2107 *311.2356* 311.2356@1.2007397 1 1 1 1 1 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 2509 2559 3232 1 1 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2356 *311.2425* 311.2425@1.1597754 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2425 *311.2444* 311.2444@1.2053607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5622 8604 1 1 1 1 1 1 12495 14838 1 1 1 1 2873 4499 1 1 1 1 1 3100 1 1 1 1 11053 9707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.2444 *311.3526* 311.3526@3.8775063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1325 1 1 311.3526 *312.0591* 312.0591@5.842488 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 1 1 1 1 1 1 1 1 1 1 1 1124 1456 1 1 1 1 1 1 1 1 1 1 312.0591 *312.0821* 312.0821@1.4901358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6091 5339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.0821 *312.0872* 312.0872@2.1823807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 5574 1 1 1 1 1 1 1 1 1 1 312.0872 *312.1095* 312.1095@1.7191262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 312.1095 *312.1209* 312.1209@2.0558977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 312.1209 *312.1241* C21 H16 N2 O 1 1 1197 1350 1 1 1560 1587 1 1 1214 1502 1 1 1 1 1 1 2847 3070 1 1 2374 1971 1 1 1 1 1 1012 1 1 1 1 1 1 2720 2919 2069 2185 2632 2493 1 1 1 1 1599 1597 1 1 3194 3414 3011 3014 1 1 1 1 2711 3141 5951 5573 2566 2679 1136 1 1 1 1 1926 6251 5762 1 1 1 1 8899 4376 4374 3951 4727 5477 3234 2880 7580 7756 3096 2878 5358 5371 312.1241 *312.1288* 312.1288@2.5289996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 312.1288 *312.1343* 312.1343@1.637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 312.1343 *312.1402* Gly Lys Ser 1 1 1490 1 1322 1735 2137 1991 1756 1845 1558 1413 3701 4539 2351 2482 1357 1327 2160 2086 2100 2214 1751 1927 1 1040 1924 2139 1933 1635 1282 1 1174 1568 7046 7445 1306 1220 1418 1321 1447 1904 1 1073 1336 1541 1164 1 1149 1290 1115 1196 13180 13851 1 1 1073 1 10945 10051 4086 3983 1367 1600 1100 1281 1 1 1 1 1 1 1 1 1 1017 1542 1 3192 3397 1294 1208 1 1 1 1172 18333 17708 1417 1496 312.1402 *312.1465* 312.1465@1.0367645 1 1384 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1113 1 1 1074 1 1 1 1 1 1247 1 1 1 1 1 1 312.1465 *312.1582* 312.1582@1.1466855 1 1 1 1 1 1 1847 1 1 1 1 1 1 2490 1 1 2616 1 1 1 1 1 1 1 1 1 3791 5045 1 1 3397 2294 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 1 1 2666 1 1 4714 1 2113 1 1 1 1739 1 3213 1 1 1 1 1 1 1 1 1 1 1 1 312.1582 *312.1634* 312.1634@1.1451538 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 1418 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 2065 1 1 312.1634 *312.1785* 312.1785@3.3559697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 1 1 1 1 1 1 1 1 1 1 1 312.1785 *312.204* 312.204@4.847014 1 1 1765 1713 1 1 1 1 1 1 1 1 1 1494 1 1 1456 1559 1 1 1 1 1 1 1199 1 1 1 1 1 1 1805 1 1 1 1 1 1 1 1 1 1 1312 1173 1773 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 2427 1 1504 1611 1 1 1 1 1257 1596 1852 1515 1 1 1 1 1 1 1 1 1 1 312.204 *312.2186* 312.2186@1.1361573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2186 *312.2387* 312.2387@1.4879032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2387 *312.2392* 312.2392@1.0820442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.2392 *312.2404* C17 H32 N2 O3 4495 5974 14066 12601 7662 5600 7095 8122 5439 5828 12431 11271 9126 9041 4160 4153 5624 5900 5786 5170 5339 5443 8035 8312 7175 6717 10070 13250 5972 5962 6350 6116 4782 6113 7874 8712 8386 9855 5722 5800 7103 7758 5727 6568 21484 21879 6138 6064 4161 5125 5590 4885 6004 6243 8988 8887 4674 6258 4351 4897 4478 4410 6616 7040 6314 7850 5713 6697 7162 5875 4651 4249 7041 5725 5396 4671 5951 7078 5426 5058 3545 5027 6887 6251 4343 3887 6326 6774 5067 4584 312.2404 *312.2469* 312.2469@1.0795637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1674 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 1403 1 1 4941 1862 1 1 1 1 1 1 1 1 3210 3909 312.2469 *312.2539* 312.2539@1.0801702 2299 2481 1 1 1 1 1 1 1 1 1 1 3577 1 1 1 1 1 1 1 1 1 1 3159 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 3540 1 1 1 1 1 1 1 1986 1 1 1 1 1317 1650 1 1 1 1 1 1 1 1 1 1 1 1 3198 1 1 1 1 1 1 1 1 1 312.2539 *312.2616* C15 H32 N6 O 1 1 7378 6182 5012 4243 4414 4766 3538 4116 4755 4342 1 4053 5241 6133 5129 5369 5499 4364 2836 1 1933 1 4276 5334 2033 1 6790 6611 3047 3217 3966 4379 5741 6388 3743 3559 4729 5491 4339 4904 3515 4359 3260 4387 1 1 3500 3040 5967 7595 3956 1340 4106 4305 1 1 5876 5281 3871 1 4237 5008 3942 2793 1316 1 5566 3742 7431 6932 2462 2122 1 1 4789 3526 1 1 1 2696 5137 6416 1 1 3590 4776 1 1 312.2616 *312.2637* 312.2637@1.0264393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 3492 1 1 1 1 1 1 1 1081 1196 1 1544 1 1671 1 1 1 1 1 1 1 1398 1 1108 1 1 1 1 1 1 1 1 1 4864 1788 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 1 1 1 312.2637 *312.313* 312.313@4.2896843 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 312.313 *312.3588* 312.3588@1.1340252 1 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 1 1 1 1 1 1 1 1 1 312.3588 *312.3668* 312.3668@1.129623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 312.3668 *312.9751* 312.9751@2.964791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 312.9751 *312.9758* 312.9758@2.9322999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3922 4229 2054 1 1 1 1 1 1 1 3441 3421 1 1 2888 2886 2892 2727 1 1 5671 5352 1 1 1537 1 3226 4762 3457 3120 5718 5997 6410 5884 3949 4416 5086 4873 1 1 312.9758 *312.9761* C19 H4 Cl N S 4130 4047 4326 1 3260 6718 2336 5086 2444 2192 2862 1377 1725 1 2153 2276 2887 1 1 1 2322 4278 1 1 3809 3877 1 1 1 1 5907 5047 1783 1 4501 3362 3571 6013 3465 2217 1 1334 5332 4100 4667 2434 1876 2641 1 1450 1 1 1 1 1 1 3493 4783 1 3121 4626 3156 5251 7380 1769 3027 1316 2546 2367 2098 5476 3053 6580 6348 6683 6842 1 4567 2679 3310 1883 1 2071 4043 1767 2790 3393 1685 1707 3062 312.9761 *312.9764* 312.9764@2.2747855 1 1 1 1 1 1 1 1 1 1 1 2343 1547 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 5438 1687 2231 1 1 1 1 1 1 1 1308 1 1 2876 1 1 1 1 1 1 1 1 1 1101 2202 2309 1 6644 1 1 2381 1 1 1 1395 1 1 3045 1 5063 1 6159 6681 1 1 2448 3272 1 1 1 1 2138 1 1 1 1 1840 312.9764 *312.9768* 312.9768@2.1757927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 312.9768 *313.062* 313.062@0.8123919 1 1 1 1 1 1 1 1 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 4034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.062 *313.0814* 313.0814@2.267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3956 1 1 1 1 1 1 1 1 1 1 313.0814 *313.0818* 313.0818@2.1209273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20331 9379 1 1 1 1 1 1 1 1 1 1 313.0818 *313.0838* 313.0838@2.088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5046 1 1 1 1 1 1 1 1 1 1 313.0838 *313.0961* 313.0961@1.7530506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23868 23895 1 1 1 1 1 1 1 1 1 1 313.0961 *313.1115* 313.1115@2.0625901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 313.1115 *313.1188* 313.1188@3.174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2695 1 1 1 1 1 1 1 1 1 1 313.1188 *313.143* 313.143@2.9795132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2046 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 313.143 *313.1745* C12 H27 N O8 3906 3407 4276 1 4223 5477 5559 1 4585 1 1 4749 1 1 3571 3773 1 1 1 1 3436 3340 3746 3702 1 3839 1 1 7353 1 3762 1 3290 3137 1 1 4181 3986 3764 1 3621 3248 5877 1 6118 6448 5698 5090 1 4968 2058 1 4601 1 5012 1 5842 5209 3748 4807 1 6138 3040 3442 2980 2926 2703 3188 3427 3453 3751 3901 3042 3271 3117 3036 1 3582 1 1 1 4024 2612 3037 3321 1973 3251 3030 3881 2190 313.1745 *313.175* 313.175@5.9248214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1412 1 1 1 1 313.175 *313.1931* 313.1931@2.132923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 2210 1 1 1 1 1 1 1 1 1 1 313.1931 *313.2098* 313.2098@1.8785489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 6474 7938 1 1 1 1 1 1 1 1 1 1088 2857 2189 1 1 1 1 1 1 1 1 4262 4863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7272 7494 1 1 1 1 1 1 1 1 1 1 313.2098 *313.2131* 313.2131@2.2150457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2178 1 1 1 1 1 1 1 1 1 1 1 313.2131 *313.216* 313.216@6.0189342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 313.216 *313.2257* 10-Deoxymethynolide 1254 1176 2646 1986 2067 2089 2118 1996 1 1 1382 1 3659 3903 2330 2985 2463 2559 4190 2420 1280 1168 1185 1381 1 1 2429 2505 1151 1 1780 1808 2808 2762 1 1 1542 1409 2633 3250 1131 1 3413 3405 1810 1943 1790 1 1314 1041 1 1 2072 1933 1 1 1 1 1 1 1 1911 1467 1367 3102 3258 1204 1528 1092 1157 1811 2067 2416 2285 2649 2333 1328 1318 1506 1226 1 1 3214 2906 1870 1643 2881 3007 1147 1188 C11993 313.2257 *313.239* 313.239@1.1130155 1 1 1 1 1 1 1 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2021 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 1 313.239 *313.2466* 313.2466@1.1910901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2516 2687 2099 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 1546 1 1458 1 1 1 3969 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 2019 1 1 313.2466 *313.2495* 313.2495@1.1745119 1 1 3324 1 1 58385 1 1 1 1 1 5351 1 1 1 1 1 1 1 1 3012 48142 1 1 1 3773 1 1 1 1 1 42327 1 5259 1 1 1 2306 3036 1 1 1138 1 1 1832 5617 1 1 1 1 1 1 1 1 4415 1 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1 1 1 1 1 1 313.2495 *313.2526* 313.2526@1.2008274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.2526 *313.2547* 313.2547@1.236145 1 1456 1 1 1 1 1 1 1 1 2341 1 1101 2016 4250 1514 1 1 9486 8828 1 1 1 1 1 1 13167 9810 6220 3828 1 1 5638 1 1 1 1 1 1 1 1 1 1985 1182 1 1 1 1 1102 1501 1 1 1 1 1 1 1114 1107 1652 1 1 1 1 1 1 1 1 6420 1 1146 1 1 1 1 1 1 1319 1 1 1 2837 3327 1606 1 1 1 1 1 1 1 313.2547 *313.26* 313.26@1.4340581 1 1 1 1 1706 1 3318 3258 1476 1128 1056 1 2045 1 1 1 1 1 2258 2509 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.26 *313.2704* 313.2704@2.9202423 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 3345 2396 1 1 1 1 1 1 1383 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.2704 *313.2713* C17 H35 N3 O2 3101 2900 2934 2751 2379 2473 1 1 1 1 2838 4296 3380 3075 3997 4119 1 2800 4851 4524 7402 7431 1 2878 1323 2318 8073 7093 2217 1 6342 5496 4875 5583 1 2483 4389 4560 2708 4621 6012 3616 1641 4917 3727 3840 3598 3001 4200 3064 1 2889 1131 1 3855 3699 2670 4064 1 1 1 1 1 1 1 1 2913 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.2713 *313.3328* 313.3328@3.854475 1 1 1 1 1 1 1 1 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 313.3328 *313.334* 313.334@3.8368437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5126 1 1 313.334 *314.0369* 314.0369@4.2247515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1888 1 1 1 1 1 1 1 1 1 1 1 1 314.0369 *314.0719* 314.0719@1.283197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1210 1 1 1 1 1 1 1 1 1 1 314.0719 *314.0743* 314.0743@2.1998956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4006 3775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.0743 *314.0908* 314.0908@1.9399779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 314.0908 *314.0959* 314.0959@1.7455535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39476 48834 1 1 1 1 1 1 1 1 1 1 314.0959 *314.1018* 314.1018@1.8690262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 314.1018 *314.115* 314.115@3.4551032 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.115 *314.1151* 314.1151@6.833261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1151 *314.1192* 314.1192@1.0527937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 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 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 1 1 1 1 1 1 1 1 1 1 1 314.1192 *314.1205* 314.1205@4.215328 1 1 1 1 1292 1156 1 4478 2493 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1528 4212 1 1 3018 1825 1 3707 1 1 1398 1 1 4450 1 1322 1436 1 2098 1 1 1 1209 5253 1 1 6507 2288 1 1929 1 1 4340 3852 1 3589 4293 1243 1120 3986 2195 2164 6731 4463 4593 2958 8773 1 5447 5241 1 1 8835 2493 6048 2790 2098 2850 4262 3873 10112 9707 7235 1628 1 8516 314.1205 *314.1209* 314.1209@4.251934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2254 1 1 1 1 1 1 1 1 314.1209 *314.1218* 314.1218@4.190753 1 1 1 1 1032 2139 4609 1 1 1 3392 2884 1 1 1 1 1969 1 1 1 2912 1 1 3375 2504 1 1 3118 1 1 3271 1 1 1 1028 1 1 1 1 2371 1 1 1 1 3795 1 2350 1 1822 1 1 3890 1 1 1 1 1 1 1 1 5673 3848 1568 1 1 4110 1 1505 1 1 1 1 1 1 4525 1 1 6684 1 2840 1 3813 3024 2007 1 1 1 1 1 1 314.1218 *314.1305* 314.1305@1.1045256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5163 6377 1 1 1 1 314.1305 *314.142* 314.142@5.295443 1 1 48592 47759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13073 11780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.142 *314.1425* 314.1425@5.235926 1 1 15290 16209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5279 4765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1425 *314.1577* 314.1577@1.1628555 1 1 1 1 1 1 1 1316 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 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 1 314.1577 *314.168* 314.168@1.1584175 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.168 *314.1723* 314.1723@1.1784658 1 1 1630 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 2397 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 2312 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.1723 *314.1807* 314.1807@1.1564672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 314.1807 *314.1903* 314.1903@1.1477199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1035 1 1 1 1 1 1 1 1 1 1 314.1903 *314.2018* 314.2018@1.088504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 1 1 1 1 1 1 1 1 1 1 1 314.2018 *314.2088* 314.2088@1.067761 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2088 *314.2145* 314.2145@1.1016835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1942 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2145 *314.2203* 314.2203@1.05776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2203 *314.2313* 314.2313@1.0562274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 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 1148 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 2294 1 1 1 1 1 1 314.2313 *314.2366* 314.2366@1.2127908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2366 *314.2458* 314.2458@1.2151958 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 314.2458 *315.0899* 315.0899@1.2226677 1 1 1183 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17765 20864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.0899 *315.1036* 315.1036@1.7391131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 315.1036 *315.1065* 315.1065@2.4087038 1 1 1 1 1 1 1 1 1295 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1500 1 1 1 1 315.1065 *315.1108* 315.1108@4.200028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1 315.1108 *315.1126* 315.1126@1.7775435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 2180 1 1 1 1 1 1 1 1 1 1 315.1126 *315.1833* 315.1833@1.4417694 1 1 1 1 1 1 3012 1 1 1 1 1 3648 3872 3348 1 1 3078 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 1698 1 1 3446 1 1 1 2882 1 1 1 1 1 1 1 1 1 315.1833 *315.1867* 315.1867@2.195647 1 1 1 1 2815 5372 6030 1 1 1 1 1 1133 1 1 1 1344 1 1 1 1 1777 1 1 1 4226 1 1 1 1 1 5326 1 1 1 1 1 1 1 1 1 1 1904 1438 1 1 1 3600 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 1 315.1867 *315.1869* 315.1869@2.1506095 3036 7382 2862 4699 5506 1540 5160 2893 1 1 1 2373 2641 1 1 1 3973 1 1 1 1 3691 1 1 1 8048 2982 1801 1 1 6475 3588 3196 2255 4259 5531 1 4290 1 1 4509 6027 4690 6126 1 1 1 5611 1 6512 10017 1 1 1 9180 1 6913 6614 6848 1 1 1390 1 1261 1 1854 1 1 1 1 1 1 1 1 2705 2140 1 1 1 1987 1740 1 2309 2586 1 1 1 1 2111 1 315.1869 *315.1869* 315.1869@2.2699335 1 1 1 1 2838 1 1 1 1 1 1 1 1227 1 1 1 1 1 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 1802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1869 *315.1878* 315.1878@2.9144435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 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 2156 2081 1 1 1 1 1 1 1 1 315.1878 *315.1881* 315.1881@0.98899966 1 1 2171 2283 1 1 1 1982 1 1 1 1 2597 1 4224 3910 4123 4372 1 1 1147 2105 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3002 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 1995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1881 *315.1893* 315.1893@1.4346122 1 1 1 1 1 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 2362 2956 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2949 1 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1893 *315.1916* 315.1916@1.1939788 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.1916 *315.1929* 315.1929@3.944658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 315.1929 *315.1973* 315.1973@3.8628907 1 1 1 1 1 1 1 2156 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 1961 1 1 1 1 2353 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 1 315.1973 *315.2036* 315.2036@3.9520793 11403 11900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 14035 13781 17196 1 11164 10995 29253 29414 1 1 9213 9595 1 1 1 15130 14844 15694 7842 7815 9326 9894 4464 6668 13008 14063 12968 12397 15548 16230 315.2036 *315.2037* 315.2037@3.75008 17104 13213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83149 80289 1 1 1 1 1 1 1517 1 1 1456 3643 3342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27504 27100 32087 33060 21418 22315 67062 68183 23565 25654 12950 13092 16355 15955 28069 26060 17450 17720 9030 7764 16344 12276 12804 12532 15753 1 19527 19398 21291 21100 315.2037 *315.2037* 315.2037@3.851324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10299 1 1 1 1 1 1 1 1 1 315.2037 *315.2038* 315.2038@3.875347 1 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 1 21166 20254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32048 32331 36757 54536 20048 22188 58406 59161 41633 43027 7709 27803 24276 23630 42586 27266 38219 42094 16380 16608 14754 28777 17292 14785 40793 41011 32933 32462 27424 28402 315.2038 *315.2042* 315.2042@1.136689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2042 *315.2071* 315.2071@1.122339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1419 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2071 *315.2134* 315.2134@1.126223 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 2842 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 315.2134 *315.2307* 315.2307@5.97479 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2307 *315.2387* 315.2387@1.040611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1531 1 1 1 1 1 1 1496 1 1665 1 1 1 1 1 1 2085 2192 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 1 315.2387 *315.2396* 315.2396@5.976747 1 1 1 1102 1 1233 1629 1770 1 1 1 1 1959 2107 2321 1881 1675 1726 1 1430 1 1 1 1 1 1 1163 1225 1 1 1239 1534 2235 1665 1 1 1 1 1911 1797 1 1 1779 2175 1 1 1 1063 1 1 1 1 1217 1 1 1 1 1 1 1 1405 1490 1 1 1807 1733 1 1 1 1 1 1 2374 2430 1253 1 1 1 1 1 1 1 1522 1704 1 1 1635 1671 1 1 315.2396 *315.243* 315.243@1.0432453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 3630 3278 2965 1 1 1 1 1 1 1 1 1 2004 4650 5632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 2295 2323 2422 1 1 1 1 1 1 1 315.243 *315.2573* 315.2573@1.0575402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2573 *315.2661* 315.2661@1.207548 1 1 1 1 1 1 1 1 1 1 1 1 3276 1 1 1 1 1 1 1 2690 1 1 1 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 2330 2132 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2661 *315.2699* 315.2699@2.1892488 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 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2699 *315.2722* 315.2722@1.213383 1 1 3265 1711 1155 1018 1 1 1 1 1 2238 1 1895 1917 3303 1 1 8644 7613 1 2533 1 1 1 1564 3232 1 4858 5164 1 1 1 1 1003 1162 9016 8501 1 1161 5456 5457 2889 3762 1 1 1 1 1 1 1 1 1 1 1419 1344 1 1629 1364 1604 1 1 1 1 1097 1132 1467 1565 1307 2974 3471 2310 1 1 1 1 1 1 1 1076 10199 1 5377 4281 1 1 1 1 1 4300 315.2722 *315.2724* 315.2724@2.8445356 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2724 *315.2776* 315.2776@1.2086198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117570 118999 1 1 1 1 1 1 1 1 1 1 1 10337 1 1 1 1 1 1 3348 1 315.2776 *315.2887* 315.2887@3.9473796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.2887 *315.302* 315.302@3.932798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5068 6185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 315.302 *315.3122* C15 H37 N7 1 1205 2369 5278 3050 2733 2786 1732 2662 6420 2830 3618 4167 7812 6531 5732 2386 3857 3234 4537 3719 4041 2002 4137 5475 5385 3380 2225 6419 6054 5311 5720 3758 4558 3260 4785 6323 6252 4279 8913 5296 7282 3051 6230 2100 1685 1367 4772 4496 4959 4547 4313 4807 4515 5929 2143 1 1 4518 3563 3085 4532 7798 6058 3659 4847 6405 5086 2949 2630 4799 5507 4038 4356 3202 1920 4094 2115 3293 3525 3957 2306 5017 4410 1 1 3040 3859 2504 2889 315.3122 *315.3132* C19 H41 N O2 1 1 2097 1 6490 6670 2132 3776 4592 7117 3069 1 4787 18921 4604 3457 4092 1 4443 2551 3455 6565 3905 2194 1 1 2667 3007 4680 4838 4709 5491 6133 5013 1476 1 1 1 4642 22367 4566 33439 2320 2526 3419 1 2453 1 1881 2833 6097 7497 7036 6990 1 3518 1 1 47810 1621 6210 4181 1 1 4331 5344 1 1 1 1 1 1 1 1 1 1 1 4396 1597 1 2372 3833 9262 9368 1 1 17741 2605 1 1 315.3132 *315.3136* 315.3136@4.08557 1 1 1 1 1 1 1 1 6960 1 1 1 18952 1 14138 13323 1 1 80951 82721 6320 1 1 1 1 1 1 1 1 1 5659 1515 1 1 1 1 1 1 21459 1 34389 1 1 1 1 1 1 1 1 1640 1 1 1 1 1 1 1 1 1 46722 1 1090 1 3937 1 1 1 2610 1 1 1 1 2141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18220 1371 1337 315.3136 *316.0241* 316.0241@0.75795346 1 1 1 1 1 1 2835 2930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1514 1 1 1 1 1 1 2090 2001 1 1400 1 1 1619 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0241 *316.0814* 316.0814@1.4363563 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1567 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 2152 1895 1 1 1 1 316.0814 *316.0874* 316.0874@1.455928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2042 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0874 *316.0933* 316.0933@1.4647881 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.0933 *316.0946* 316.0946@2.026843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1172 1 1 1039 1005 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1152 1061 1 1 1495 1 1 1 1024 1122 316.0946 *316.0954* 316.0954@1.9395987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1394 1 1 1 1 1 1 1 1 1 1 1 1 1697 1304 1 1 1 1330 1 1 1 1 1522 1687 1 1 1 1 1 1 1 1 1 1 1 1 1301 1091 1 1 1 1 316.0954 *316.1012* 316.1012@3.7746687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1517 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1012 *316.1425* 316.1425@1.116434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49921 49132 1 1 1 1 316.1425 *316.1615* 316.1615@1.4256885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1615 *316.1629* 316.1629@4.21177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.1629 *316.1667* 316.1667@1.3950466 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 2671 1 1 1 1 1 1686 1 1 1 1 1 1514 2992 1 1 1 1 1513 1912 1 1 1 1 1 1 1 1 1 1 1 1 1 1988 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 316.1667 *316.1843* 316.1843@1.0751283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 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 1 1 1 316.1843 *316.192* 316.192@1.0618427 1 1 4547 3972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18242 16710 1 1 1 1 3219 2297 1 1 1 1 2050 1799 1 1 1 1 1874 1656 2815 2647 1 1 1 1 1 1 1 1 1 1 1 1 1 1970 1 1711 1 1 1 1 1 1 1 1 2168 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.192 *316.1969* 316.1969@1.0683811 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 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 1 316.1969 *316.2037* 316.2037@3.7747688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4287 1 1 1 1 1 1 1 1 1 1 1 1 1 3605 1 1 1 1 1 316.2037 *316.2057* 316.2057@1.0972114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.2057 *316.2158* 316.2158@1.1125994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 316.2158 *316.276* 316.276@1.2014773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23082 24005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 316.276 *317.0408* 317.0408@1.7545472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4249 1 1 1 1 1 1 1 1 1 1 317.0408 *317.0743* 317.0743@1.2061396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8237 9251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.0743 *317.1305* 317.1305@1.1896617 1 1 1 1 1 1 1 1 1 1 1547 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4141 1386 1 1 1 317.1305 *317.1391* 317.1391@1.2180592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4636 4176 1 1 1 1 1 1 4161 4800 317.1391 *317.1451* 317.1451@3.7736952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 317.1451 *317.1618* 317.1618@1.7690458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6475 5657 1 1 1 1 1 1 1 1 1 1 317.1618 *317.1847* 317.1847@6.8267407 1 1 1 1 1492 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 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 1 1 1 1 1631 1574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 2010 1 1 317.1847 *317.1864* 317.1864@1.214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 317.1864 *317.1868* C21 H23 N3 3109 3196 6654 4968 3525 10993 1 1 3900 4109 3473 3231 5048 1 3011 4148 1 1 2365 3114 1 7218 5303 3629 1 1 3677 2478 1 1 1 6221 1 1 3622 3769 1 5965 4675 3170 1 1 5773 6856 3980 1 9454 1 5660 6123 3546 6506 9827 1 2882 3175 1 16804 5125 5826 6143 7322 11609 1 11585 10749 6536 8155 4613 6461 5031 5311 8164 1 4138 4139 8438 14256 10898 13570 11606 1 10379 12755 7735 1 5718 4619 1 6272 317.1868 *317.1921* 317.1921@1.0778614 1 1 1 1 1 1 1 1 1 1 1 1 1 2585 1 1 1 2739 1 1 2885 1 1 1 1 1 1 1 1693 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 2068 1 1 1 1 1 1 1 1 1 1 1 317.1921 *317.1925* 317.1925@4.981492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.1925 *317.2084* 317.2084@1.1685205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 317.2084 *317.2192* 317.2192@1.1913269 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3008 1 1 19011 19442 1 1 1 1 2213 1935 1 1 2273 1 1 1 1 1 3042 1908 1 1 1 1 1 1 1 1462 1 1769 2560 2103 1 1 6503 7232 3185 3788 1 1 1 1 1 1 1 1 1 1 3350 3462 1254 1 1495 1 1 1030 1 1 1 1 1 1 1236 1 1 1 1 1082 317.2192 *317.2212* 317.2212@4.599805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2448 2261 1 1 1 1 1 1 1 1 317.2212 *317.2213* C14 H31 N5 O S 2307 2152 4925 4335 1 1 2053 1902 2729 2565 4998 1 1246 2109 1 5245 1 1 1 1 2463 1 3635 3884 1 1 1 1 1 1 1 1 1 1 1 2431 4423 4484 2465 3134 1 1 3350 3247 1 1 1 1 1 1 1331 1 1 1 4787 4141 1 1 1 1 1 1 1 1519 1 1 5309 4574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2428 2820 1 1 2461 2547 1 1 317.2213 *317.2322* 317.2322@1.1723815 1 1 1 1 1 1 1 1 1 1 1 5230 1 1 1 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 1 1 1 6927 1 1 1 1 2441 1 1 1 1 1 1 8864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7127 6429 1 1 1 1 1 1 1 1 317.2322 *317.9314* 317.9314@1.5196233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.9314 *317.9431* 317.9431@2.3436227 1 1338 1 1 1343 1716 1700 1 1 1 1 1 1 1943 1 1527 1 2224 1 2243 1513 1 1 1 1 1285 1808 1 1 1 1 1 1872 1 1 1 1 3178 1 1 1 1 2400 1994 1 1 1 2111 1 1 1 1 1 1 1765 2266 1 1 1 1 1 1 2879 1 1 1 2010 1 1 1 1 1 1814 1804 1 1 1 1 1 1 3255 1 1 1 1 1 1 1780 1 1 317.9431 *318.0368* 318.0368@1.812 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2666 1 1 1 1 1 1 1 1 1 1 318.0368 *318.037* 318.037@1.7485518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12454 11099 1 1 1 1 1 1 1 1 1 1 318.037 *318.0628* 318.0628@1.1821156 1 1 1 1 1587 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 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 1 318.0628 *318.0733* 318.0733@1.184427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.0733 *318.1136* 318.1136@2.0597444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 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 1042 1 1 1 1 1 1 1 1 1 1 1 1 318.1136 *318.1306* 318.1306@2.991234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1555 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 1879 1 1 1 1 2334 1736 1 1 1 1 1 1 1 1 2679 2416 1 1 1 1 1 1 1 1 1938 2477 318.1306 *318.1308* 318.1308@5.8982725 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1 1 1 1 1 1 1460 1 1 1 1 1090 1 1 1 1 1 1 1627 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1220 1050 1 1 1 1 1 1 1 1 318.1308 *318.1316* 318.1316@1.2941098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265235 43165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1316 *318.1348* 318.1348@3.0011396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 318.1348 *318.1698* 318.1698@1.0462177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16639 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 1 1 1 1 1 1 1 1 1 1 318.1698 *318.1795* 318.1795@1.1596876 1 1 1415 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 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 1 318.1795 *318.1955* 318.1955@1.2100146 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1955 *318.203* 318.203@1.0610331 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1 1 1 1697 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.203 *318.2103* 318.2103@1.1537138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2871 6861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.2103 *318.2783* 318.2783@1.1299933 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.2783 *318.2846* 318.2846@1.1430955 1 1 1 1 1 1 1632 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.2846 *318.29* 318.29@1.1466734 1 1 2343 1996 1 1 1 1 1 1 5085 4392 1 1 1 1 1 1 1 1 1 1 1 1556 1721 1631 1 4322 1 1 1 1 1 1 1374 1576 2927 2844 1 1 3348 3578 1 1 4461 5047 1 1 1 1 1 1 1277 1208 2652 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 3024 2633 3808 3312 1 1 1269 1471 1 1 318.29 *319.0368* 319.0368@3.3189154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.0368 *319.074* 319.074@2.402586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1361 1 1 1 1 1314 1702 319.074 *319.0753* 319.0753@2.8260477 1568 1 1 1029 1 1 1 1 1 1 1 1 1570 1565 1 1016 1 1 1 1425 1477 1311 1681 1807 1 1 1 1 1897 1 1 1 1291 1 1 1 1 1 1 1477 1110 1501 1 1 1 1 1 1 1 1706 1 1 1402 1101 1892 1 1185 1241 1736 1879 1 1 1 1351 1 1 1234 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1721 1780 319.0753 *319.0893* 319.0893@3.1287262 1 2087 1 1 1 1 1 1 1 1 1 1872 1 1 2314 1 2509 1 1 1 1 1392 1 1 1 1 1 1 1 1 1 1 2965 1 3636 1 1 1 4545 1 1 1 2561 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 2385 1 1 3510 2356 1901 1 4887 1 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 3478 1 1 1 3232 1 1 1 3002 319.0893 *319.0904* 319.0904@3.1133595 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.0904 *319.1753* 319.1753@1.2023162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.1753 *319.1851* 319.1851@1.209719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1162 1 1 1 1 1 1 1 1 1 1 319.1851 *319.1926* 319.1926@6.4880733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.1926 *319.2003* 319.2003@1.0523376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.2003 *319.2008* 319.2008@4.098728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8143 6494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.2008 *319.2081* 319.2081@1.0489105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1156 1 1 1 1 1 1 319.2081 *319.2146* 319.2146@1.078464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1517 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1243 1 1 1 1 1 1 1 1 1 1 319.2146 *319.2242* 319.2242@1.0935005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 319.2242 *319.2253* 319.2253@1.9327458 1 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 1479 1643 1 1 1 1 1 1 1 1 1 1 3231 3077 1 1 1 1 1 1 1 1 9668 9271 1 1 13920 12504 1 1 2757 3284 1 1 1 1298 1 1 1 1 1 1 1 1 3165 2376 1 1 1 1 1 1 2751 2983 2028 2281 1 1 1 1 1 1 319.2253 *319.2389* 319.2389@1.1441401 1 1 2902 1 1 1 1 1368 1 1465 1 1 1 1168 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 3649 1 1 1 1 1 1 1 1 1 1 1 2758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3051 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 319.2389 *319.2421* 319.2421@1.1924073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 319.2421 *319.2487* 319.2487@1.1919172 1 1 1 1 1 1 1 1 1 1 3897 3561 2053 2126 1889 2197 1 1 4385 4204 1 1 1564 1 8220 4587 13679 17849 4667 4638 1 1 5092 4954 1 1 2471 1 1 1 1 1497 1 1 9237 7285 1 1 1 1 1 1 1 1 3448 3151 1 1 1 1 1 1 1 1 1 1 5438 4363 1 1 1 1 1 1 1 1 1 1 1 1 9968 9495 1476 1 1 1 1 1 1 1 319.2487 *319.2715* 319.2715@1.0864341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 319.2715 *319.2729* 319.2729@1.1233572 1 1 1 2094 1 1 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1156 1 1 1 3149 1 1 1 1 1192 1 1 1 1 1 1 1 1126 1436 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 1 319.2729 *319.2805* 319.2805@1.1187336 1940 1 1 1 1 1 1 1 1 1 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 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 1 319.2805 *320.1239* 320.1239@5.563379 1 1110 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 1 1063 1 1 1 1362 1 1 1 1 1 1 1 1 1315 1 1 1 1 1 1533 1316 1 1 1 1 1 1 1202 1 1 1 1 1 1232 1606 1 1 1 1345 1 1342 1 1 1 1 1 1 1 1 1 1153 1 1 1 1228 1 1 1283 1045 1 1279 1365 1 1 1 1 1 1 1331 1 1 1 320.1239 *320.1239* 320.1239@1.3106402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6010 1 1 1 4492 1630 1 1 1 1 1 1 1 1 1 1 1 5789 1 1 1 1 1 1 1 1 1 1 1 1 320.1239 *320.1255* MYCOPHENOLIC ACID 1 1 3895 5225 3454 1 1 3179 1 1 1 1275 3057 1 4306 7201 4615 1 1 1 1 1 1 1 1 1 2971 1 1 1 1 1 1 1718 1214 1 1 1 2609 2890 5029 5393 1 1 1 1 1 1 2923 1 1 1 1 1 1 1 1 2854 1 1 6378 5286 6909 3394 4422 12230 1 1 3605 3259 1 1 1 4275 1 6854 10673 8722 1 1 1 1717 3079 1 1 2665 1 1 1 1 320.1255 *320.126* 320.126@1.4714717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5019 1 10409 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 7476 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1995 1 320.126 *320.1262* C13 H17 Cl N8 3271 1 2280 2226 3938 3154 2608 3061 3169 2827 2209 4318 2552 3261 4052 3902 2268 3132 3613 3928 3830 3841 1293 3699 3430 3063 3031 1 1634 1 3045 4479 7687 7332 3096 1 1 2892 3419 3913 6451 4464 1 1917 1375 1788 5888 6658 3114 3122 1 1880 2032 1985 1418 2417 2376 3262 1410 5432 6343 4501 4212 7401 1611 4908 4979 1 3323 3459 4522 7968 1 3819 4237 4449 2612 2698 3737 4000 1604 3667 3653 3640 6707 6633 3232 1034 2526 1 320.1262 *320.1268* 320.1268@1.2773405 1 1 1 1 1 3927 1 1 3830 1 1 3057 1 1 1 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3741 1 1 1272 1 1 2474 1035 1 1 1 1 1 1 1 1 2809 1 1 2277 1 2903 3172 1 1 3054 1 1 3021 1 5306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1548 1 1268 1 2454 1 1 2708 2415 1400 1 320.1268 *320.1275* C15 H28 O S3 4942 1 1 1 3146 3186 9038 7331 9440 1289 3587 2137 6712 1 2185 2004 1391 4788 2178 3577 3554 3439 6459 6228 1 4897 5949 5915 3775 5161 6497 8956 1 6705 3085 3593 1 5843 1 3983 2268 13473 1 4507 2102 1853 1 1 2791 2353 2620 4634 1 4817 1 1 2308 2060 4762 2411 1 1943 1 1 1 1 1 3049 1 7621 3887 1 1 1 7375 1 1 1 4089 3529 5358 4041 4941 3141 1 6422 5475 5214 3712 1 320.1275 *320.1314* 320.1314@1.362737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 320.1314 *320.1367* 320.1367@1.4699328 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 3512 1 1 1 2371 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1367 *320.1751* 320.1751@1.1634635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.1751 *320.1905* 320.1905@1.2018316 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 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1905 *320.1996* 320.1996@1.2088118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 3275 2927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.1996 *320.2005* QH2 5476 5062 5707 5496 5493 4864 6107 5698 5335 7302 5382 5441 11213 7228 9396 9664 4522 6988 8087 5433 5852 8310 8270 9315 4860 5471 6627 6143 8029 9770 5429 5448 6075 7939 6428 7261 5118 5200 5299 5511 7843 4879 6317 6155 5764 5554 5623 5004 5016 4819 7633 8002 6207 8449 4270 4319 4605 4944 4662 5458 4111 3057 4172 5920 4421 4460 2743 4590 3992 4085 2260 2451 4049 7325 3721 3865 3339 3413 1549 2201 4194 3553 3810 3908 2292 1 4833 4438 4203 4942 HMDB01304 C00390 320.2005 *320.2088* 320.2088@1.1536322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.2088 *320.2123* 320.2123@1.2443509 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 320.2123 *320.2289* 320.2289@1.443187 1 2949 1 1 1 1 1 1 4561 2696 1 1 1 1 1 1 3147 1 1 1 1 1 1 1 1 1 3314 2768 1 1 1 1 1 1 1 1 1 1 1209 2000 1 6333 1 1 1 1 3449 4632 1 1 1 1 1 1 1 1 1 1 1 1 2275 1 1 1 1993 1 1 1 1373 1 1 3781 1 4982 3810 1 1497 1 1 1 3860 1 1 1 1 3635 1 2969 3541 2608 320.2289 *320.2312* 320.2312@1.5454221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 320.2312 *320.2314* 320.2314@1.9891933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.2314 *320.2374* 320.2374@1.0887183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 320.2374 *320.9922* 320.9922@1.4370835 1 1 1 1 1 1 3047 1 3484 3711 1 1 3092 3005 1 2586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4264 4177 1 1 1 1 1 1 1 1 1 1 3480 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 1 320.9922 *321.1498* 321.1498@1.2312237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 321.1498 *321.169* 321.169@2.0837586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 72735 69994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10329 10258 1 1 8372 7828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.169 *321.1918* 321.1918@1.4959291 1 1 1 1 1 1 1 1 1 1 2679 2463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 3435 1 1 1 1 1 1 1 1 2160 2300 1 1 1 1 1 1 2439 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 1 321.1918 *321.1937* 321.1937@1.5730538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.1937 *321.1977* 321.1977@1.1948789 1 1 1 1 1 1 1234 1 1 1 2332 3655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4548 4447 1 1 1 1 1 1 5420 6571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.1977 *321.203* 321.203@1.0630672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3628 1 1 1 1 1 1 2199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3034 1 321.203 *321.2153* 321.2153@1.0566337 1 2203 1 1 8407 1 3416 3590 1964 1 7785 8961 1 4146 1 1 2022 1 1 2526 2326 1 1 1 1 1 3201 3372 1 1 1 1 1 1 1 1 20449 20046 1 1 1 1 1 1 6833 4173 3135 3691 2271 2535 1 1 3169 1 2864 3181 8540 7989 1 1 3231 1 2602 1 1 1 1878 1 3404 3441 1 1 1 1 2624 2263 1824 1 1 2253 8359 7341 2502 2936 1 1318 1 1 1 2633 321.2153 *321.2228* 321.2228@1.2089365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 321.2228 *321.2351* 321.2351@1.2000022 1 1 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.2351 *321.2503* 321.2503@1.1827295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 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 5175 6046 1 1 1 1 1 1 321.2503 *321.2598* 321.2598@1.2017283 1 1 1 1 1 1 1 1 1 1 1838 1 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 1 7944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.2598 *321.2631* 321.2631@1.2026792 1 1 1 1 1 1 1 1 1 1 1 1991 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 1 321.2631 *321.2762* 321.2762@1.1388745 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 1122 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 1085 1 1 1 1 1 1 1 1 1 321.2762 *321.2822* 321.2822@1.1515834 1 1 1 1 1 1 1 1 1 1 2620 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.2822 *321.2858* 321.2858@1.1399237 1 1 1 1 1 1 3120 3502 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1154 1352 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321.2858 *321.9692* 321.9692@5.4887633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 321.9692 *322.0935* 322.0935@1.2297462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4969 4137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10541 11422 1 1 1 1 1 1 12232 12065 322.0935 *322.0984* 322.0984@1.3289415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1049 1 1 1 1 1 1 1 1 1 1 1 1 1402 1108 1 1 1 1 1 1 1 1 322.0984 *322.1032* 322.1032@2.529 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 322.1032 *322.1156* 322.1156@1.3397855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 322.1156 *322.1431* 322.1431@2.9028292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 322.1431 *322.1658* 322.1658@1.0427469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1658 *322.1807* 322.1807@1.161196 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1807 *322.192* 322.192@1.0601501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1268 1 1 1 1 1 1 1 1 1 1 1 1 322.192 *322.1977* 322.1977@1.0647178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.1977 *322.2005* 322.2005@1.0848234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3545 1 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 2566 2670 1 1 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2387 2032 322.2005 *322.2121* 322.2121@1.0824215 1 1 1 1 1 1 1 1 1 2130 1 1 2593 1995 1 1 1 1 2335 1 1 1 1 3152 1 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 1 3192 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 1 1 1 1 1 1 1 1 1 2321 2382 1 1 1 1 1 1 1 1 1 1 322.2121 *322.219* 322.219@1.0706953 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 322.219 *323.0802* 323.0802@1.2155862 1 1 2095 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 1 1 1 1 1 1 1 1 1 1555 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.0802 *323.0846* 323.0846@2.5020597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.0846 *323.0857* 323.0857@2.5340192 1 1 1 1 2700 2819 1 1 2399 2530 1 2169 2230 1728 1 1 1073 2069 1 1775 1 1 1 1 1 1 3802 3741 1 1 1 1 1437 1 1 1 1 1 2483 2195 1 1 1 1 2551 1995 1 1 1 1 1 1 1 1 1 1 2446 2321 1 1 1 1 1 1 2236 2151 1 1 1 1 1 1 1 1 1 1 1 1 4579 4104 1 1649 2051 1608 1 1 1 1 1 1 323.0857 *323.1384* 323.1384@2.9396482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1384 *323.139* Ethacrynic acid M1 1 1 1 1621 1 1 1 1 1 1 1 1 1 1764 1416 1 1 1 1696 2658 1 1 4748 5090 1 1 2449 2593 1 1 1 1 1 1 1 1 1 1 2244 2852 1 1135 1 1 1 1 1 1 3236 4260 1229 2697 1287 1 2688 2673 1 1866 2073 2195 7340 6871 1807 1662 1602 1 1221 1488 1 1 1 1 1 1 1 1 2481 2586 1 1 1307 1 2819 1 1 1 2376 2190 2743 3080 323.139 *323.1555* 323.1555@2.8283925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3335 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1555 *323.1746* 323.1746@3.9693875 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.1746 *323.1946* 323.1946@1.2354232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 323.1946 *323.2108* Betaxolol(hydroxylation) 4449 3584 11221 12476 1 1 1 1 1 1 5822 5358 1 1 5263 5533 3272 2823 1 1 2747 1 4136 3771 1 1 1 1 4855 2407 3793 4568 1 1 6243 7597 1 3805 2677 1740 1 1 14975 15431 5773 6137 3730 4732 1 1 4401 3481 5651 4647 5638 3916 9007 9130 8593 8040 1 2726 1 1 14330 12893 1 1 2967 3787 5204 4745 1 2436 3914 2854 6305 5874 1 1 1551 2157 1 1 3832 5149 4311 3399 3738 3581 323.2108 *323.2137* 323.2137@1.0331149 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.2137 *323.2211* 323.2211@1.1886798 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 1376 1 1 1 1 1 1 1 1556 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1981 1 1461 1 1 1054 1 1 1 1 1 1 2062 2781 1 1 1 1 1 1 1 1 1 1293 323.2211 *323.2278* 323.2278@1.1336746 1 1369 1 1 1 1 1 1216 1940 1 1 1 1522 1 1 1 1 1 1284 1378 1 1 1 1 1 1 1 1 1 1 1073 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 1659 1780 2203 1 1 1 1215 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.2278 *323.2338* 323.2338@1.1084043 1 1 1 1 1 1 1 1093 1 1610 1099 1 1643 1 1011 1 1112 1 2150 1 1528 1863 1447 2240 1 1 1 1 1115 1285 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 1181 1 2074 2282 1 1 2522 1789 1432 1 1 1 1 1 1 1479 1 1591 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 323.2338 *323.2383* 323.2383@1.101209 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 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 1817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.2383 *323.2396* 323.2396@1.096241 1 1130 1811 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 1869 1 1 1 1 1 1 1 1 1 1 1910 1 1 1 1 1 1428 1 1 1 1298 1472 1 1 1 1 323.2396 *323.2524* 323.2524@1.207415 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 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 323.2524 *323.2578* 323.2578@1.1703765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1762 1 1 1 1 1 1 1 1 323.2578 *323.2675* 323.2675@1.1478457 3270 3423 1 1 1 3577 1 1 1 1 3836 4824 1 1 3253 1 2479 3011 1 1 1 1 4029 1 1 45796 1 1 1 1 1 3862 1 1 1 1 2949 3030 1 1 1 1 2767 1 1 1 2544 1 1 1 3907 1 1 1 5482 1 1 1 3098 3363 1 1 1 1 1 1037 1 1 1 1 6716 8598 1985 1981 1674 1510 1 1 1 1 1 1 1 1427 1 1191 1 1 2308 1 323.2675 *323.273* 323.273@1.1433207 1 1 18434 23199 3095 1 3940 3516 3098 2920 1 1 3045 4353 1 3279 1 1 1931 1 1045 2462 1 4827 1 1 5764 5942 5743 4964 4056 1 2913 2396 5438 6197 13858 16004 2922 2488 6970 7590 1 2752 6159 1 1 2326 1 1 1 2759 3801 4972 1 1 1 1 1 1 3179 1 1515 1945 1 1 3185 2901 3841 3554 1 1 1 1 1 1 2269 2400 4977 5403 8866 9685 1 1 1 1 3653 4243 1 2416 323.273 *323.281* 323.281@1.1406366 1 1 1 1 1 1 1 1 1 1 18680 21181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29106 1 1 1 1 1 1 1 1 13297 11093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9094 1 1 1 1 1 1 1 323.281 *324.0127* C7 H14 Cl2 N2 O8 1 1973 1 1 1 1 1 1 2279 2157 1412 1 1 1910 1532 2337 1516 1 1 1 1 1 1948 1952 1663 1 1 1139 1 1 2274 2282 1916 1 1 2395 1844 1934 1859 2091 2485 2075 2549 2272 1 1 1822 1 1 1 1 1707 1565 1 1445 1 2379 2637 1 1 1 1 2279 2208 2050 1 2226 2266 2229 2272 1757 2399 3032 3077 2932 1300 1912 2189 1 1 2130 1 2357 2400 2185 2454 2227 1 2383 2430 324.0127 *324.0137* 324.0137@1.6395066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 324.0137 *324.0274* 324.0274@1.4205616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2354 2795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.0274 *324.109* 324.109@1.1931897 1 1 1 1 10362 10190 1 1 1 1 1 1 1 4334 1 1 33370 31676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9213 10032 1 1 1 1 1 1 1 1 6663 6841 1 1 65478 65860 1 1 1 1 1 1 102430 96659 324.109 *324.117* 324.117@1.1936386 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 1 1 1 324.117 *324.1509* 324.1509@2.0623784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 2392 2711 1078 1 1 1 1 1 1 1 1 1 324.1509 *324.1541* 324.1541@1.6535833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2471 1 1 1 1 1 1 1 1 1 1 324.1541 *324.1571* 324.1571@2.0623724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1090 1381 1480 1164 1 1 1282 1 1 1 1 1 1809 1673 1 1 1 1 1291 1 1 1 1 1251 1 1 1 1368 1 1 1 1 324.1571 *324.1648* 324.1648@4.1191635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217410 220562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581857 579926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1648 *324.1796* 324.1796@1.6112041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3974 3721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1796 *324.1843* 324.1843@4.4378676 1 1 1 1 1 1 9094 9744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.1843 *324.1957* 324.1957@1.070223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12489 1 1 1 1 1 1 1 1 1 1 1 10519 1 1 20403 19795 1 1 21893 21347 10527 1 1 1 1 1 8312 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1011 1 17505 324.1957 *324.2025* 324.2025@1.056731 1 2522 1 1 1 1 3245 1 1 1 1 1 4760 1 1 1 2506 1 1 1 1 1 1 1 1 1 1 3721 1 1181 9111 8230 3102 3378 3497 1 10027 1 3378 3584 4070 4010 4103 4390 6455 1 4833 10399 2703 2295 1 1 7903 1 3597 3768 4689 1 4433 4970 1 1 3423 9219 1 1 1 3941 4835 1 1 1 1 4937 4599 5476 10700 4200 1 1 4023 4376 1 1 2140 1 1 4156 1 1 324.2025 *324.2026* C18 H24 N6 2393 1 2346 2710 3076 2447 1 2773 3206 3041 2598 3226 1 5075 3221 4618 1 2739 3105 3432 2708 2962 3018 3226 3858 3875 3638 1 4447 4052 1 1 1 1 1 2870 1 4170 1 1 1 1 1 1 1 1 1 1 1 1 4343 3897 1 6205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 1 1 1 1 1 1 1 3974 4499 1 1 5095 4395 1 1746 4174 1 1 1 324.2026 *324.2316* 324.2316@1.4347147 1 1 1 1 1 1 1 1272 1 1 1 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 1 1 1 1 1357 1548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2316 *324.2379* 324.2379@1.6840333 1 1 1 1 1 1 1 1 1 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 1362 1942 3023 4641 1 1 1 1 3491 4606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2379 *324.2405* 324.2405@1.4301795 1787 1 1 1 1 1 1 1 1736 1332 5158 3605 3319 2261 13312 13012 1 1 18790 18454 1 1 2708 1980 1750 1 8633 7105 10339 10477 1 1 17613 17714 1 1 16069 15622 24504 24668 1 1 4052 3231 42755 43073 1 1 1 1 1 1 1 1 1 1 6683 10472 1 1 1 1 1 1 1 1 10517 10854 1 1 4818 4778 1572 1396 1 1 1 1 1 1 1 1 9727 8080 1 1 1941 1 1 1 324.2405 *324.2642* 324.2642@1.1999005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 324.2642 *324.2759* 324.2759@1.2062823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1339 1764 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 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 1 324.2759 *324.3138* 324.3138@4.1093493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19392 19476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6743 8363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.3138 *324.3747* 324.3747@4.1255016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 324.3747 *325.0308* 325.0308@2.077948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 3803 3593 2187 3547 1276 2705 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.0308 *325.1101* 325.1101@4.8005953 1 1 2137 2202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1101 *325.1185* 325.1185@2.436314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3357 3266 1 1 1 1 1 1 1 1 1 1 325.1185 *325.1298* 325.1298@1.6859401 1 1 1 1 2364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6549 1 1 1 1 1 6772 5043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2648 1 1 1 1 1 1758 1867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1298 *325.1351* 325.1351@1.7260326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.1351 *325.1552* C12 H20 Cl N9 1 3314 2428 1 1 1182 1674 1894 1 1 1 1 1 1 1 1 2241 1 1 1 1 1 1 1 2496 1 1 1 2613 2128 1 1 1 1 2293 2247 1 1 1 1 3739 3500 1682 1583 2773 1 1 1 1 1 3681 1 4939 4943 3573 1 1 1 4819 1 1 1 2925 1 5242 4933 2424 2446 3438 3221 6726 1 1306 1434 2535 1 4171 1 7899 8922 1 4625 1 2748 6398 5790 3242 1 3335 2853 325.1552 *325.157* 325.157@2.061273 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 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 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 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.157 *325.2026* Norpropoxyphene 6758 6588 3661 3167 6805 4811 3087 9119 5481 4994 5714 5315 7052 8701 5849 2081 8279 5555 2521 1275 3549 6961 5785 6649 7026 6145 7875 7870 5625 9241 6694 1433 6067 7883 5837 2661 8282 8957 4751 4891 9204 3989 4924 5069 8071 8906 8063 2823 3463 3259 3874 1 4327 1 4117 1 8069 4487 4181 4712 4366 4795 1556 4986 4562 4352 5033 4647 2708 7976 1943 2488 5836 8537 4413 4337 7117 5074 2232 5138 3851 3515 4759 3841 1813 1420 3655 3359 5581 4613 325.2026 *325.2029* Norpropoxyphene + 5.748672 1605 1251 3911 2319 1 2592 4963 1596 1 3693 1 3747 1 1 1 1158 1 2558 1856 1285 1 2684 1021 2101 2820 1 2493 1038 1233 3656 1 4698 1336 1966 2876 4868 2692 2837 2569 2807 1 1 2005 2576 1487 1 1 5364 1496 5200 5125 1 3662 1 4297 1 1 2305 1203 2197 3896 3123 1580 1387 4663 3103 1 1769 3572 1 1717 1732 4001 1143 2136 1 1751 2230 1 2756 1624 1147 1110 1 3306 3453 7079 1 1553 3374 325.2029 *325.2029* 325.2029@5.705928 1 1 2669 1 1 1 1 1122 1 1 1 1 1 1 1 6577 1 1 2197 1291 1 1 1 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3747 1 1 1 1 1 1 1 1 1 4341 1 1 1 1 1 1 1 1 1965 2868 2821 1 1178 4365 1 1 1 1 4221 1 1 1 1318 1 1549 1 1 1 3551 1 1 2448 2084 3551 1 1 1 1 1 1 1 325.2029 *325.2031* 325.2031@5.713211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 325.2031 *325.2231* 325.2231@1.0671809 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.2231 *325.2246* 325.2246@1.0416116 1 3134 1 1 1 6285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3964 9062 1 1 1 1 7678 8945 1 1 1 1 1 1 7333 6626 11672 1 8510 1 1 1 1 1 1 1 21728 1 6171 6257 11877 7646 1 1 1 1 1 1 1 1 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 4273 1 1 1 1 325.2246 *325.2446* 325.2446@1.2133088 1 1 1 1 1 1 1 1 4955 1 1 1 1 1 1 1 1 1 1 1 6415 1 1 1 1 1 8823 10838 1 5958 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 4450 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 2775 3666 1 1 1 1 1 1 1 1 325.2446 *325.2468* 325.2468@1.2140484 1 1 1 1 1 1 1 1 1 1 1 1 1 5169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3001 1 1 1 1 1 1 1 1 1 1 1 1 325.2468 *325.2606* 325.2606@1.1040258 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.2606 *325.2868* 325.2868@1.1377985 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 325.2868 *325.2934* 325.2934@1.1380188 1 1 1 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2635 2573 1 1 1 1 1 1 1 1 1860 1 1 1 1302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 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 1534 1961 1474 1 1 1 1 1 1 325.2934 *325.3702* 325.3702@2.8337686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2055 1 1 1 1 1 1 1 1 3126 2994 1 1 1 1 1 1 1 1 325.3702 *325.3708* 325.3708@3.3460155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 3041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 325.3708 *325.8811* 325.8811@5.560702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1157 1253 1058 1140 1 1 1140 1 1 1 1156 1 1 1 1349 1 1067 1 1 1 1184 1307 1 1 1 1 1450 1197 1270 1132 1221 1150 1156 1050 1348 1155 1281 1240 1 1 325.8811 *326.0015* C8 H17 Cl3 N2 O3 S 13878 16545 14141 12365 5309 11634 6255 12442 6481 14519 12726 5911 17641 18140 15977 16708 10593 5264 10853 5329 15317 15456 15591 16822 5834 13228 17873 17724 12184 11634 16242 17123 5112 5293 13282 5460 15703 15835 12486 12656 10932 4247 16630 13958 16783 6978 5988 12462 5020 4783 13678 5677 16356 14330 5659 14374 18636 18271 6174 6325 4361 4033 4481 4666 5685 14556 13676 10904 5098 4794 3404 3465 12438 12683 13090 15169 4480 8742 4962 4690 12126 5783 4549 4255 12579 5772 13249 13717 14825 6217 326.0015 *326.1487* 326.1487@6.591173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1487 *326.1521* 326.1521@6.560113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4748 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1521 *326.1867* 326.1867@1.0497801 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.1867 *326.1933* 326.1933@3.193383 1 1 1 1 1 4606 1 1 1 1 2468 1 1 1 1 1 1 1 1 10209 1 1 1 6301 1 1 1 1 1 9382 1 1 1 1 1 1998 8972 1 1 1 1 1 1 6187 1 1 1 3201 1 1 1 1 4401 5700 1211 1 1 1 1 1 1 1 1 2561 1 5277 1 1 1 1 7447 1 1 1 3335 1 1 2855 1 1 3141 1 1 1 4159 2018 1 1 1 1 326.1933 *326.194* C14 H30 O8 109163 10240 335084 333389 274014 267035 180510 181447 16468 193125 138022 149710 418800 415042 4744 88351 1631403 1640525 174666 6960 4301 1 7191 2010 196990 184654 299844 297181 322042 313445 292999 291192 1 1 122202 121793 6828 173274 9101 9681 131088 10774 257684 249040 336771 326468 172997 174081 9392 9191 1 1 10479 9459 83775 8064 7588 88650 7636 85736 248037 239051 9911 5763 156554 130733 1 1 307735 309427 243250 257500 94025 96022 4792 94518 224912 219017 1142338 1140078 8699 10247 4893 4731 6365 7788 78595 82510 85568 82566 326.194 *326.1969* 326.1969@3.2158349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 326.1969 *326.2048* 326.2048@4.9805794 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2048 *326.219* 326.219@1.2108809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 326.219 *326.2199* 326.2199@2.0796685 1 1 1 1 1 1 1 1 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 1 326.2199 *326.2313* 326.2313@1.1820056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 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 1238 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 2330 1 1081 1 1 1 1 1 1 1 1 1 326.2313 *326.2361* 326.2361@1.214274 1 1 1842 1 1187 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2361 *326.2415* 326.2415@1.2037203 1 1 1 1787 1 4040 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1115 1 1 1 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2415 *326.2457* 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 14742 14370 19888 20223 22693 18250 18235 18553 23472 22939 20645 21992 23657 23448 22672 22489 20344 20694 19291 21453 20110 18593 22586 23124 17650 17965 20814 21024 21929 22819 17333 17144 23307 21816 13198 22049 17757 11731 14813 13717 14585 15191 18393 18288 16297 17243 15110 14677 16861 17239 16862 24817 16678 15644 20950 20778 12691 13801 19302 19564 19600 19193 21368 20284 17976 17797 15573 14544 15029 20496 20037 20421 16358 16919 12755 12561 17019 17380 16002 21737 19885 20796 23815 24480 10845 11791 21076 14283 13101 12781 326.2457 *326.2496* 326.2496@1.2283964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 326.2496 *326.2548* 326.2548@1.2114906 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.2548 *326.3298* 326.3298@4.349328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.3298 *327.0951* 327.0951@5.678816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 5887 3655 327.0951 *327.0977* 327.0977@5.8430777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2825 327.0977 *327.1538* 327.1538@1.2120113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18325 17540 1 1 1 1 34891 32442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10729 1 1 1 1 1 1 1 2515 22725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2951 5327 1 1 1 1 327.1538 *327.1904* 327.1904@1.6712929 1 1 3888 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 1 1 1 1 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 1 1 1484 1 1 1 1 1 1 3226 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1904 *327.1906* 327.1906@1.541184 1 1 8479 8840 1 1 2251 2605 1 1568 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 3644 2525 1 1 1 1 9825 7885 1 1 1 1 1 1 1 1838 1 1 1 1 8294 5983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 2673 1 1 2096 1802 1 1 6136 7397 2687 2055 1 1 1 1 5787 5542 1 1 1 1 1 1 1 1 1 1 1 1 327.1906 *327.1945* 327.1945@1.6563586 1 1 1 2322 1 1 1 1 1 1 1 1 1 1895 1 1 1 1 1 1 1 1 1 1 1 1 2096 1 1 1 1 1298 1 1 1 1 1 1 1 1 1 1 1 1 1933 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1945 *327.1949* 327.1949@2.1492753 1 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1949 *327.1988* 327.1988@3.1113267 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.1988 *327.2096* 327.2096@0.8189727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2096 *327.2273* 327.2273@1.9084289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 327.2273 *327.237* 327.237@1.1785743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1742 1 1 1 1 1 1 1 1 1 1669 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 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.237 *327.2433* 327.2433@1.0989078 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 10964 11795 1 1 6383 1 1 4632 1 1 12612 9341 1 1 1 2626 1 1 1 1 7776 1 13752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6218 1 1 1 1 1 1 1 1 1 6698 1 1 1 1 1 1 1 1 7064 7017 6976 327.2433 *327.272* 327.272@1.4211727 1 1 1 1 1 1 1 1779 1 1 1 1 1406 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.272 *327.2801* 327.2801@1.4238349 1 1 1 1 1 1 1 1 1 1 1 1 1 1430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.2801 *327.3022* 327.3022@1.1694903 1 1 1119 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 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.3022 *327.3116* 327.3116@1.1675997 1 1 1 1027 1 1 1 1 1 1 1 1 1573 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1699 2845 2704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 327.3116 *327.998* 327.998@1.0704026 1 1 1 1 5303 1 5998 1 8396 1 1 7310 1 1 1 1 1 5125 1 5523 1 1 1 1 4972 1 1 1 1 1 1 1 4699 5096 1 5308 1 1 1 1 1 6846 1 1 1 8862 6135 1 4453 4539 1 7718 1 1 7987 1 1 1 8166 5861 4201 4361 4695 5815 5902 1 1 1 4866 5049 3197 3600 1 1 1 1 5734 1 4569 5870 1 5478 4472 4361 1 7954 1 1 1 8240 327.998 *328.0796* 328.0796@2.093247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.0796 *328.08* BERGENIN 4248 4414 3077 3285 1 1 2429 2516 4304 3902 2882 3126 5174 5204 5413 5301 3377 3635 4969 4407 4460 4710 4879 4802 4357 4111 5714 5472 4327 5064 3650 3261 1 1 2490 2053 2899 2948 3379 3164 3194 2761 1 1149 3357 3041 2393 2544 5377 4760 6387 6152 4083 3670 2770 5700 2783 2410 3509 3527 4791 4963 2041 1 3400 3627 4154 4403 3448 3454 4122 4508 1333 1870 2137 1707 5671 5265 3576 3711 6203 6308 3689 4360 3824 3809 5435 5417 4903 4752 328.08 *328.1334* 328.1334@1.1323211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1334 *328.1529* 328.1529@2.514125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1448 1 1 1 1 1 1 1509 1 2745 2797 1 1 1 1 1 1 1 1 2936 2688 1 1 1 1 2098 1977 1766 2028 2483 2414 1349 1 3925 1 1452 1 1 2955 328.1529 *328.1671* 328.1671@1.1218399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14076 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 1 328.1671 *328.1756* 328.1756@1.0331879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1756 *328.1871* 328.1871@1.2021104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.1871 *328.1992* 328.1992@3.1528912 1 1 1 1 1 1 1 1 1 1 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 1801 1 1 1 1 1 1 1 1 1 1 1 328.1992 *328.2002* 328.2002@1.2012131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2002 *328.2087* C18 H32 O3 S 53881 56964 38111 41667 48610 47218 51767 52988 45159 46751 76302 73334 43705 42064 28456 29032 79005 53154 7372 49351 46929 49105 49988 50779 50255 50414 62001 60124 59449 58737 56071 56398 71514 68345 59014 59952 69512 71259 70599 73990 69871 68286 51529 51371 74232 67624 60579 62691 67326 68130 69701 68757 80736 81524 81111 79024 99050 97537 57691 59188 73130 70242 92824 91923 82734 83258 110627 111173 95479 97506 105523 102969 82944 1 64099 65608 76023 77372 77142 72494 79061 78668 81160 81407 76787 78819 85935 79540 64252 65346 328.2087 *328.2093* 328.2093@1.0780644 4934 1 3823 1 1 1 1 1 1 1 1 1 1 3320 1 1 1 1 40955 1 1 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 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 82031 1 1 1 1 1 6134 1 1 1 1 1 1 1064 8105 1 1 328.2093 *328.2211* 328.2211@1.1512636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 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 1670 1 1 2483 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 1 328.2211 *328.2231* 328.2231@1.2045956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2231 *328.2333* 328.2333@1.18667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 5138 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1106 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 328.2333 *328.2596* AVOCADENE ACETATE 4317 5438 5866 4829 8179 8601 6447 5103 7496 9522 8275 9215 9668 9213 10697 10393 5970 9650 10586 6218 8113 8858 7602 8043 5721 6574 5610 6632 7312 8761 9561 5709 8959 7814 5902 4602 5133 5348 3804 5440 1 7515 7114 5072 5123 4265 4871 6433 7709 5251 7713 9453 7646 9556 6176 5386 3824 3975 9418 9704 6031 5432 6367 10021 8333 8667 3988 4412 8709 5459 6925 5976 7643 5673 4118 3892 7710 7904 6005 5933 5082 6998 7872 9184 3732 6218 5251 8072 5124 4777 328.2596 *329.0762* C15 H15 N5 S2 9930 9529 6683 8254 2388 2642 4555 5557 9664 9284 5817 5525 11587 10817 11993 11799 7552 7498 10961 9097 9885 10445 12677 13189 9705 8050 12070 12339 10977 12131 6712 7587 1 1 4958 4433 7424 8374 7471 7718 5239 5263 2711 2612 6611 6366 5034 4805 9463 10912 14013 13618 7597 7798 10551 10147 5687 5630 7820 7492 11387 11279 3944 4221 6735 6858 8872 9261 7157 7927 9613 10216 3431 4051 3997 4396 11838 11700 8126 6685 13207 11712 7814 8847 7221 7805 12269 11487 9777 9952 329.0762 *329.1202* 329.1202@1.254464 1 1 8421 8334 1 1 1 1 1 1 1 1 4169 4273 1 1 5791 6201 1 1 3039 2901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4084 4103 1 1 1 1 2506 2721 1 1 1 1 9403 9173 1 1 16229 16731 1 1 1 1 1 1 1 1 1 1 4722 5005 1 1 1 1 1 1 1 1 7621 8536 1 1 1 1 1 1 2828 3542 329.1202 *329.1439* 329.1439@4.1207685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12399 11888 329.1439 *329.1585* 329.1585@2.5144837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9368 8371 1 1 1 1 1 1 1 1 9039 10650 1 1 1 1 1 1 1 1 6381 1 1 1 14250 12958 1 1 8604 7948 329.1585 *329.1666* 329.1666@2.5203397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5249 4560 3995 1 1 3203 1 1 1 1 1 1 1 329.1666 *329.1989* 329.1989@2.5092018 1 1 1 1 1 1 1 1 1 1 1 1 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 4324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3549 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 1 329.1989 *329.2024* 329.2024@2.5199916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2024 *329.2041* 329.2041@2.1998384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2041 *329.2049* 329.2049@2.1558115 1 1 11124 1 1 1 1 1 1 1 6996 1 1782 7952 1 15276 14317 1 13136 1 1 1 1 7382 12401 9924 1 1 1 1 1 12059 10000 12659 8651 7102 1430 5198 1 10348 1 1 1 12004 1 1 15840 1 1 12649 17112 1 1 1 1 1 1 1 2079 1 1 1 1 1 1 2291 1 7494 3719 1 1 1 1 1 5386 7561 1 5839 1 9083 6595 6789 1 1 1 1 1 7204 1 1 329.2049 *329.2049* 329.2049@2.2061033 1 1 16264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26632 11890 1 1 1 1 1 1 1 6791 6345 1 1 1 1 1 1 1 1 1 1 1 1568 1 1 6982 16547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2636 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2049 *329.205* 329.205@2.409241 1 1 1 1 2080 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 15828 1213 1 2119 1 1 1 1 1 1 1 1 1 3502 1 1 3549 1 1 1 1 1 1 1 1 2327 1 1 1 1 1 1 4331 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6544 1 1 1 9011 1 329.205 *329.2066* 329.2066@2.7158282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2698 1 1 3057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2003 1 1 1 3974 1 329.2066 *329.2069* 329.2069@3.3689804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16160 15012 1 1 1 1 1 1 1 1 1 1 329.2069 *329.2075* 329.2075@0.97753376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20532 20044 1 29133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2075 *329.2075* 329.2075@2.873229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 329.2075 *329.2089* 329.2089@2.865979 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 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5949 5918 4602 3621 1 1 1 1 2320 1 1 1 1 1 2969 1 1 1 1 1 2133 3415 1 1 2393 1 1 1 2208 2760 1 2925 1 1 4157 2825 3799 1 1664 1 329.2089 *329.2106* 329.2106@2.7137125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 329.2106 *329.217* 329.217@1.0377878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.217 *329.2193* 329.2193@2.0511754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2193 *329.2206* 329.2206@6.6820207 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2206 *329.2207* 329.2207@2.8593385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2207 *329.2289* 329.2289@2.0344517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 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 1 329.2289 *329.2325* 329.2325@2.0457094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1969 1 1 1 1 1 1 1 329.2325 *329.234* 329.234@2.9798613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 329.234 *329.2379* 329.2379@1.2042946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2379 *329.2386* 329.2386@2.0417817 1 1 1 1 1478 1 1 1 1 1749 1 2751 2017 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 1848 1 1 1 2319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 2645 1 1 1 1 1 1 1 1 1 1 1 1894 329.2386 *329.2409* 329.2409@0.9278254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2409 *329.2431* 329.2431@1.492393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 329.2431 *329.2438* 329.2438@2.890315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 329.2438 *329.2442* 329.2442@1.1587042 1 1 1 1 1 1 1 2415 1 2255 1283 1437 1 1 1 1 1 1606 2763 3594 1567 1 2007 1 1 1 1 2539 1 1 1 3594 2920 1 1 1 1 3096 1 1 1 1 1 2790 1180 1 1 1354 3236 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 2542 1 1407 1 2155 1 2284 1 1 1 1 1 1 1 1 4492 1 1888 1 1 1 1 1 5192 1658 1 1098 329.2442 *329.2449* 329.2449@2.047278 2346 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 1 1 1 1 2800 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 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2449 *329.2468* 329.2468@0.86913973 1467 1 1 1 1 1 1 2397 2343 1 1684 1 1 1 1 1 3443 3454 2036 1 1 1 1 1 1 1 3689 5869 1 1 2117 1 2817 1 1 1 1 1 1 1 1 1 1 2115 1 1895 1 1612 1 1 3180 1 1260 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1608 1 1 1 1 1 2829 1 1 1 2150 1 1 1 1 1 1 1264 1 1 1 329.2468 *329.2488* 329.2488@0.931836 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 2722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3297 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2488 *329.2498* 329.2498@1.2486408 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1648 1597 1490 1 1 1 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 2009 1 1 1 1221 1 1 1 1850 1 1 1 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1387 1 329.2498 *329.2499* 329.2499@1.462054 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2499 *329.2501* 329.2501@0.6977111 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 3127 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 2537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2501 *329.2506* 329.2506@2.9067912 1 1 1 1 1 1 1 6866 1 1 1 1 1 1 1 5708 1 6982 1 1 1 1 1 1 1 1 1 1 1 1775 1 1 1 1 1 1 1 1 1 1 1 1837 1 1 1 1 1 1 1 1 1 3073 1758 1 1 1 1 1 1 5569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 329.2506 *329.2514* 329.2514@2.9507928 1 1 1 1 1 1 2680 1 1 1 1 1 1 1 1 1004 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 4114 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3317 3647 1 1 1 1 1 329.2514 *329.2522* C14 H31 N7 O2 1 1 3852 3292 1 1 1418 3482 2430 3210 1 1 1355 1 8129 8754 1439 1 1 1903 1 1349 1 1 1 1 1 3043 1 1 3444 5449 1 1 5393 5963 1 1 2054 1 1729 1 2951 1582 1 1 3942 1612 2423 6859 1179 1388 1 1 13863 3645 1 1 1 1 3444 3467 1 1439 1 1759 1 3103 1888 3206 1 1 1 1017 2035 1950 1 1 2768 4652 3220 1 1 1250 1801 1419 3269 4113 7307 9652 329.2522 *329.2527* 329.2527@3.056377 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 1 1 1 1 1 1 1 1 1 1 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 1 329.2527 *329.2537* 329.2537@0.8943847 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2537 *329.2539* 329.2539@0.7094199 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 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 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2539 *329.2556* 329.2556@1.4455081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 329.2556 *329.2562* 329.2562@1.1398942 1 1 3007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3022 2565 1 1 1 1 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2766 1 1 1 1 1 1 1 1 2665 1 2804 1 1 3178 329.2562 *329.2844* 329.2844@3.987008 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2844 *329.285* 329.285@1.0239563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 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 1 329.285 *329.9941* C11 H9 Cl3 N6 2362 1 1 1903 1901 1816 1857 1853 1 1 1 1 1 1 1 1 1509 1 1 1580 1 1 1 1 1470 1 1 1 1650 1774 1 1 1566 1305 1 1613 1 1 1955 1961 1 1 1 2024 1 1 1879 1888 1178 1534 1 1 1 2263 1 1 1 1 1 1717 1214 1313 1483 1 2071 1 1 1758 1600 1344 1 1162 1762 1491 2072 1 1 1208 1421 1 1601 1574 1503 1407 1820 1 1 1 1 1 329.9941 *330.04* C16 H11 Cl N2 O4 1 1 1906 1912 1337 1463 2512 2370 1 1 4411 3897 2272 2562 1636 2027 3113 3021 3765 4045 2679 2917 1 1 1 1746 4276 3782 1 1 2319 2277 3121 2675 1860 1864 1601 1574 1830 1740 2180 2110 1 1 1 1 2117 2065 1641 1530 1830 1944 1312 1 2213 2235 1072 1 1630 1438 5556 5129 1 1 3738 4513 3105 3196 2637 2900 1 1 2167 1865 1560 1684 1 1 1334 1 2506 2115 1 1 3263 3121 7839 7114 1940 1913 330.04 *330.0803* 330.0803@2.0835109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0803 *330.085* 330.085@3.6616273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31948 31546 1 1 1 1 330.085 *330.0925* 330.0925@1.0523651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13659 15508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.0925 *330.0959* 330.0959@2.075785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1340 330.0959 *330.125* 330.125@1.175883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 2086 1 1 1 1 330.125 *330.1255* 330.1255@1.1074445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2298 1 1 1 1 330.1255 *330.1259* 330.1259@2.0694785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1259 *330.1306* 330.1306@3.7578666 1468 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2934 1 1 1 1 2023 1 1 1280 1 330.1306 *330.1355* 330.1355@6.697343 1 1 9705 9747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11957 11934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1355 *330.142* 330.142@2.064309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1381 1 1 1 1 1 1 1 1 330.142 *330.1493* 330.1493@2.0661771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 3325 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3657 3519 1 1485 1 1 330.1493 *330.1505* 330.1505@3.9793887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4033 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1505 *330.1825* 330.1825@1.2042663 1 1 1 1 1 1 1 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 5262 5844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10741 11433 1 1 1 1 1 1 3987 3580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1825 *330.1942* 330.1942@1.206499 2093 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.1942 *330.201* 330.201@1.2108532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 330.201 *330.2062* 330.2062@2.1961503 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 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1551 1052 1 1 1 1314 1 1 1 1 2377 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2062 *330.208* 330.208@1.2123182 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1626 1413 1 1 1 1 1 1 1 1 1 1106 330.208 *330.2276* 330.2276@1.2078136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 330.2276 *330.245* 330.245@1.194924 1 1 1 1 1 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 1 1 1 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1057 1 330.245 *330.2537* 330.2537@1.1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1527 1 1 1 1 1 1 1 330.2537 *330.2594* 330.2594@2.8935068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2594 *330.261* 330.261@2.95971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.261 *330.2616* 330.2616@2.0431623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2616 *330.2669* 330.2669@1.1351188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2669 *330.2769* 1-hexadecanoyl-sn-glycerol 45536 43797 64858 72152 102675 1 88459 85097 71722 73587 81038 84973 67165 68969 105349 113533 107278 115025 69553 73109 85254 1 60197 64937 74534 79819 43500 39547 134880 132267 75040 1 91228 87217 125424 126534 60995 55505 126907 128511 107614 96373 73953 72622 45130 47627 36234 33691 84996 84828 144699 149202 83002 88485 97282 97784 8244 8786 113217 111463 54192 61911 62098 57825 71223 74140 33188 30440 79572 77643 112887 117097 51532 52396 23677 23819 53266 48551 52012 42015 35535 54133 137794 136003 8080 9608 81281 78582 55813 51886 330.2769 *330.2772* 330.2772@1.1197404 1 1 1 1 1 1 1 1 4141 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 6832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4087 330.2772 *330.2894* 330.2894@4.2492633 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 1337 1494 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.2894 *330.29* 330.29@4.2536507 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 330.29 *331.0747* 331.0747@2.343459 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 1 1 1 1 1 1 1 1 1 1326 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.0747 *331.0786* 331.0786@2.4049373 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 2365 1 1 1 1 1098 1 1 1 2446 2172 331.0786 *331.0826* 331.0826@1.1984928 1 1 1 1 5640 7619 3879 3176 1 1 1 1 8896 9414 1 1 15500 7475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2587 1 1 1 1 1 1 1 1 6881 8769 1 1 1 1 1 1 1 1 5972 4750 1 1 6515 12537 1 1 1 1 1 1 21508 10758 331.0826 *331.1025* 331.1025@1.3948817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1251 1 1 1 1 1 1 1 1 331.1025 *331.1232* 331.1232@2.6815877 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.1232 *331.1406* 331.1406@2.0657504 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 1008 1 1 1 1 1 1 1 1 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 1 331.1406 *331.1441* AMBELLINE 1819 1777 2538 2700 1 1 1 1 1 1 1721 1774 1912 1755 2891 3326 3124 3482 5747 5964 1571 1 1 1 5903 5341 5491 5598 1 1 1 1 1 1 2419 2493 2723 2449 1 1 6764 6336 1 1 1823 1459 2239 2317 1640 2271 1970 1821 7058 7385 5515 6286 13662 15104 2518 2510 1491 1 1 1 4410 3580 5793 5473 2156 1952 1129 1695 4377 5345 1552 1291 1442 1278 1696 1 5389 5159 1544 1950 16362 15542 6839 6873 1696 1361 331.1441 *331.1527* 331.1527@1.0496614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 331.1527 *331.1634* 331.1634@1.0497316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.1634 *331.2017* 331.2017@1.1952332 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2017 *331.2136* 331.2136@1.2054435 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 1102 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 1697 1875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2136 *331.2193* 331.2193@1.209195 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2193 *331.2352* 331.2352@6.6341777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1013 1 1 1 1 1 1 1 1 1101 1 1 1 1 1106 1226 1 1 1 1 1 1 1 1 1385 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 1 1 1 1 1 1 1 1 1 1 1 1297 1 1 1 1502 1 1 1 331.2352 *331.2596* 331.2596@2.0473595 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2596 *331.2742* 331.2742@1.132421 1 1 1755 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14680 1 1 1 1 1 1 1 1545 3833 4419 1 1 1 1 1 10780 1 1 1 1 1 1 1 1 1 1 1 1 1 1381 1 12519 11066 1 1 1 4214 3307 1 1 1 1 331.2742 *331.2839* 331.2839@1.1626761 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 1 1 3887 1 1 1 1 1 1 1 1 1 4287 1 1 1 1 1 1 2947 3794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.2839 *331.2869* 331.2869@1.1766062 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 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 1 331.2869 *331.312* 331.312@4.3752947 1 1 1 1 1 1 1 1 1 1 1 1 2351 2913 1414 2810 1 1 7441 8537 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 3071 2925 5486 5254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4335 4042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.312 *331.3232* 331.3232@3.7524679 3755 1 1 1 1316 1 1 1 128968 255988 1 1 1 1 1 1 1731 1 2409 3082 1 1 11180 6159 1 1 4228 3092 44703 1 1132 1 1 1 1 1 1 1 1 1216 1486 1400 1 1 1 1 1 1 1 2111 1263 1237 1 1 1 1 1795 1 2587 2753 1 1 1 1 1 1 23245 25491 1845 1810 1 1 1 1 1 1 1 1052 1 1 1698 2053 1 1718 1 1 4849 7379 1 1 331.3232 *331.3234* 331.3234@3.3275683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35939 32318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12193 1 1 1 331.3234 *331.3234* 331.3234@3.7770727 2643 1 1 1 1 1 1 1 46708 63142 1 1 1 1 1 1 1 1 1 1 1 1 11969 8878 1 1 1 1 7603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22401 24267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2877 1 1 6659 3450 1 1 331.3234 *331.3235* 331.3235@3.5387144 1 1 1 1 1 1 1 1 82984 109246 1 1 1 1 1 1 1 1 4011 2866 1 1 17520 15604 1 1 1 1 18879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3517 1 1 1 1 1 1 1 1 34358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.3235 *331.3239* 331.3239@2.850143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3115 1 1290 1 1 1 1 1956 1 1637 2716 1 1 1 1 1 1 1 1 9368 10430 1 1 1 1 1 1739 4896 4430 9594 7359 1628 7976 6266 6410 8077 5361 1492 1 331.3239 *331.3257* 331.3257@2.7992182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 331.3257 *332.0187* 332.0187@0.7270123 1 1 1 1 1 1 1 1 1 1 1482 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.0187 *332.0911* 332.0911@2.367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 332.0911 *332.0922* 332.0922@2.424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 332.0922 *332.1383* 332.1383@1.1249275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18643 18992 1 1 1 1 332.1383 *332.1408* 332.1408@1.4915792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1657 1 1 1 1 332.1408 *332.1687* 332.1687@1.1414223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2475 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 1 332.1687 *332.1975* 332.1975@1.0880904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1975 *332.199* 332.199@1.5002917 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.199 *332.2073* 332.2073@1.4980743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 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 1 1 1 1 1 332.2073 *332.2079* 332.2079@3.3501368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.2079 *332.2711* 332.2711@1.2028214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 332.2711 *332.2749* 332.2749@1.1588632 2665 1 1 1 1 1 1 1 1 1 3556 3320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2788 3938 1 1 1 1 1 1 1 1 1843 2703 1 1 1 1 1 1 1915 1915 1 1 1 1 1 1 1 1 1446 1960 1 1 1 1 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 332.2749 *332.281* 332.281@1.1252962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1698 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 332.281 *332.3256* 332.3256@3.7179005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1474 1 1 332.3256 *333.1046* 333.1046@3.4172268 1 1 2233 2047 1 2066 1 2504 1 1 1 1 1 1 1 1 2460 1 1 2436 2194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2715 1 1 1 1 3800 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 4407 1 2408 2718 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1046 *333.1438* 333.1438@2.1938164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.1438 *333.167* 333.167@1.0887945 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 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 1 333.167 *333.2091* 333.2091@1.203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 333.2091 *333.2168* 333.2168@1.2058737 1043 1 1585 1636 1 1 1 1 1066 1197 1 2212 1 1 1378 1 1 1 1 1 1044 1 1 1494 2114 1 1 1 1 3123 1 1 1 1 1388 1298 1 1 1 1 1 1486 1359 1417 1 1 1063 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 2248 1 1 1 1444 1194 1 1 333.2168 *333.2177* 333.2177@5.267096 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 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3476 1 1 333.2177 *333.2238* 333.2238@1.2029881 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 2020 1 1 1 1 1 1 1 1 1 1 3404 3305 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.2238 *333.2295* 333.2295@1.205767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1677 1 1 4141 1 1 1 1 1 1 1 1 1 2181 1 1 1 3877 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 1 1 1 1 1 1 1 1 5435 4912 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1 1 1 1 1 1 1 1 333.2295 *333.2413* 333.2413@1.761874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1783 1 1 2671 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 1 333.2413 *333.2566* 333.2566@1.0695865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 333.2566 *333.2615* 333.2615@1.0892576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1906 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 1 333.2615 *333.278* 333.278@1.1334349 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1494 1 1 1 1 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 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 1 1 1 1 1 1 1 333.278 *333.2918* 333.2918@1.1444004 1356 1 1 1 1 1 1 1 1 1 1 1 3232 1 1 1175 1 1 1 1 1 1586 1 1 1 1 1 1 1 1 1 1855 2906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1035 1 1 1 1 1 1 1612 1 1 2313 2378 1 1 1 1 1 1 1 1316 1 1 1 1 1 2897 2934 1 1 1 1 1 1 1 1 1 1 1 333.2918 *333.3018* 333.3018@1.17202 1024 1049 2602 2776 2296 2914 2963 1727 4517 2113 15767 15741 1 3692 1 1 2116 2444 1 1 1 1 1462 1614 3737 3516 20975 1413 3060 3344 1653 1 1 1 3770 2682 6925 9731 4138 3716 6249 13080 3802 3061 14176 14076 1 1 1 1 1 1 5092 5783 7972 7210 1 1 1 1 5458 1739 1 1 1 1 1 2876 1 1 1 1 2335 2541 1 1 2585 1 1327 1310 4374 9371 4345 4855 1 1 2137 2019 1500 1333 333.3018 *333.3021* 333.3021@1.1561915 1 1 10722 10463 1 1 1522 3392 1 1280 23013 24260 1 1 1 1 1 1 1 1 1 1 4560 5969 5635 5818 16238 19390 1 1 1 1 1 1 2088 3684 15099 15387 1 1 12227 5963 1 1 1 1 1 1 1 1 1 1 1 1 14384 13785 1 1 1 1 1 5669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8906 4229 15654 14899 1 1 4267 3963 1 1 333.3021 *333.3024* 333.3024@1.2051946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 333.3024 *334.0304* 334.0304@2.0336134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.0304 *334.0514* 334.0514@1.758537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1495 1 1 1 334.0514 *334.0883* 334.0883@3.967516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 2009 1 1 1 1 1 1 1 1 1622 1 1 1 1 1563 1 1 1 1192 334.0883 *334.0893* 334.0893@4.2374754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 334.0893 *334.1409* 334.1409@1.8435211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6354 4460 1 1 1 1 1 1 1 1 1 1 334.1409 *334.1504* 334.1504@2.048846 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1504 *334.1585* 334.1585@2.051158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 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 1 334.1585 *334.1869* 334.1869@1.2020617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.1869 *334.1959* 334.1959@1.1755879 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 1640 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1142 1 2276 1222 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 1 334.1959 *334.2005* 334.2005@1.1106609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2005 *334.2018* 334.2018@1.1025109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1 1 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 1 1 1 1 334.2018 *334.2128* 334.2128@1.0866238 1 1 2486 2484 2698 2707 1 1937 1 1336 1 1 1 1 3144 4637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1619 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3692 3881 1 1 1 1 1 2317 1 1 1 1413 1 1 1 1 1 1 1 1 1 1 1 1 3649 2061 1 1 1 1 1 1 2550 2097 4689 3734 334.2128 *334.2183* bicyclo-PGE2 1 1 6282 6885 2497 2781 1923 1927 1794 2395 2122 2308 3118 3356 1 1 2381 2362 1 2166 1025 1 1 1 3886 3995 1704 2292 1418 1622 5726 5700 1 1 1 1 2853 2631 1562 1433 1688 1505 3715 4320 5698 5269 2889 2789 1578 1826 1 1 2341 2423 1 1 1464 1 1954 1863 2779 2626 2093 2126 2644 2401 1 1 1 5890 5477 5164 1 1076 1 1 4152 3835 4075 4124 1 1 1 1 1622 1672 1 1 1 1 334.2183 *334.2191* 334.2191@1.0482869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4655 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 334.2191 *334.2201* 334.2201@1.2747254 1 1 1 1 1 1192 1 1 1 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 1 1 1 1 1 1583 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1291 1 1 1 1 1482 1 1 1 334.2201 *334.2867* 334.2867@1.1249527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2867 *334.2868* 334.2868@1.1874503 1 1 1 1 24657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 54007 2482 1 1 1 1 1 1 1 1 20952 1 79702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2136 2050 1 1 1 1 22708 1 1 1 334.2868 *334.293* 334.293@1.1340423 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2990 1929 1 1 1 1043 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 8968 8328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 334.293 *335.0071* 335.0071@1.4357039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 335.0071 *335.0141* 335.0141@0.80584604 1 1 2123 1175 1 1 1 1 1 1 1930 1964 1518 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1872 1484 1 1 1 1 1 1 1595 1472 1 1 1 1 3924 2997 1 1 1 1 1 1 1 1 1 1 1 1 1343 1376 1 1 1 1 1211 1350 1 1 1 1 1 1251 2576 3003 1 1 1 1 1 1 1231 1348 1 1 1 1 2334 1284 1 1 1 1 335.0141 *335.1137* 335.1137@1.1645101 1 1 2197 3217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4237 4881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1137 *335.1265* 335.1265@2.061076 1 2052 1353 1 1 1 1 1 1 1 1 1 1 1 40202 2331 1 1 1256 1 1 1 1 2518 1 1 1 1 14017 1 1 1 1 1 1 1 1 1 1342 1097 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 1 1 1918 2047 1 1 1 1 1 1 1 1 47029 2951 1 1 1 1 1 1 1 1 2138 1939 1 1 1 1 1 1 1 1 335.1265 *335.1366* 335.1366@2.041741 1621 1 1 1 1 1 1 1 1616 1801 1 1 1507 1592 1 1 1 1399 1 1440 1 1 1678 1 1502 1 1826 1609 1 1 1 1 1 1 1 1 1372 2679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1934 1619 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1536 1534 4619 10292 1 1 1 1 1 1 1 2570 1 1272 335.1366 *335.1396* 335.1396@1.8200592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5174 1 1 1 1 1 1 1 1 1 1 1 335.1396 *335.1403* 335.1403@2.0618935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 335.1403 *335.1988* 335.1988@1.174269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.1988 *335.2051* 335.2051@1.2046773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.2051 *335.2077* 335.2077@1.2101115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1223 1410 1367 1 1 1 1 1 1 1 1 1 1 1245 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 1 335.2077 *335.2234* 335.2234@1.2121643 1 1042 1 1246 1 1 1 1 1635 2158 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1833 1 1 1 1 1 1622 1218 1421 1 1 1 1 1 1 1085 1 1 1 1 1 1 1202 1 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2059 2542 1 1 1743 1 1 1 1455 1 1 1 335.2234 *335.2309* 335.2309@1.2107357 1 1 1 1 1 1 1 1 1 1 1 1 1 1912 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 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 1 335.2309 *335.2406* 335.2406@1.1508999 1 1 4134 3488 1 1 1 1 1 1 2158 1 1681 1 1 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2455 5669 1 1 1 1 1 2716 1 1744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6748 1 1 1 2762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.2406 *335.3031* 335.3031@0.8838594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1956 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.3031 *335.315* 335.315@0.9519786 1 1 1 1 1 1 1 1 1 1 2878 3234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3208 2892 1 1 1 1 1 1 1 1 1356 1522 1 2160 1 1 1 1 4242 4204 1 1 1 1 1 1 1 2274 1 1300 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 1 335.315 *335.3181* 335.3181@1.2312186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9641 1 1 1 1 1 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.3181 *335.3184* C22 H41 N O 51368 46623 185059 188802 72311 72427 109569 113628 83466 85037 576801 580156 67658 65474 37090 37914 55696 56749 39711 38214 37412 36577 120146 121038 172131 176082 421087 421683 88866 92543 46175 46650 39626 38997 116062 122373 371449 358237 87075 76779 343998 343076 66089 68230 590060 596945 30981 32187 23427 24364 39691 41522 111820 109016 335375 326121 12630 12204 44026 41989 118538 118122 46628 48225 36806 34286 64624 65806 32952 32946 34882 36523 71591 69602 17123 17548 50922 49164 50116 48200 260606 258297 413785 421719 14154 14488 144936 145269 41740 41280 335.3184 *335.7676* 335.7676@1.1452802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.7676 *335.8034* 335.8034@1.1420047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 335.8034 *336.0867* 336.0867@1.3695868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 336.0867 *336.1069* Cys Asn Thr 1463 1 1 1 1 1 2348 2606 1088 1230 1 1 1 1217 6345 5968 2544 2583 7404 7725 1985 1739 2445 2031 1 1 1528 1536 2378 2182 1 1 2888 2315 1 1 3533 4333 1 1 3710 3351 1917 1955 1 1 2821 2119 1 1 1240 1082 3082 2901 1949 1617 1 1 2114 2095 1 1 1594 1676 1 1 2115 2046 1 1 1043 1223 1 1 1 1 1 1053 1 1 1416 1427 1 1 1 1 3427 2982 1 1 336.1069 *336.1232* C11 H16 N10 O S 112964 111590 78597 79916 17719 17584 32096 31094 113748 116536 65037 63488 91933 92753 186698 169594 80207 80903 79516 79277 68849 68405 87832 89345 88842 89618 105299 112004 62170 66092 66351 66991 1 1 39986 40231 87970 90823 81474 78968 41286 41921 2501 1 77139 77727 68079 65419 84865 84557 101289 97611 83982 83014 123096 121371 56502 57819 8607 65508 151694 142995 47857 45884 87095 89140 71512 73813 93532 96274 217529 231665 23039 1562 47080 47834 128526 133231 11182 68504 137186 143286 47128 3141 73960 75025 98246 97380 64413 6985 336.1232 *336.1876* 336.1876@1.219961 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.1876 *336.201* 336.201@1.2032225 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 1 1572 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1109 1 1 336.201 *336.205* 336.205@1.1608044 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 1 1 1 1 1 1 1 2568 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 1 1 1 336.205 *336.2061* 336.2061@2.6502647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1007 1 1 1 1 1 1 1 1 1 1 1196 1357 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2061 *336.2158* 336.2158@1.1980242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1567 1 1 1 1 1 1046 1 1 1 336.2158 *336.2228* 336.2228@1.2160181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1295 1 1 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 1 336.2228 *336.2346* 336.2346@1.1614591 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 336.2346 *336.3166* 336.3166@1.0963554 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.3166 *337.045* 337.045@3.5296745 1 1 1 1 15737 16508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17119 17598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3945 3359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.045 *337.0721* 337.0721@1.2279092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 337.0721 *337.0755* 337.0755@1.595815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.0755 *337.135* 337.135@2.043796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1 1 1 1 1005 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 1 1 1 1 2755 1 1561 1746 1992 1922 1 1 2654 2757 337.135 *337.1434* 337.1434@3.6796284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4328 4159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.1434 *337.1767* 337.1767@1.0447636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6091 6284 1 1 1 1 1 1 1 1 1 1 337.1767 *337.1905* 337.1905@1.1016171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 337.1905 *337.2018* 337.2018@1.0450245 1 1 1 1 1 1 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 3051 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 1 337.2018 *337.2041* 337.2041@4.7509623 1 1 1 1 1 1 1 1 1083 1 1 1 1 1214 1 1190 1 1 1 1 1 1228 1 1 1257 1 1001 1 1 1 1 1092 1 1209 1 1 1 1075 1 1 1 1147 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1026 1 1 1 1 1 1 1307 1279 1 1 1 1279 1059 1076 1 1190 1311 1715 1 1236 1291 1248 1 1223 1190 1413 1314 1 337.2041 *337.2107* 337.2107@1.0876623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 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 1 337.2107 *337.2296* 337.2296@1.2014564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2521 3483 1 1 1 1 1 1 1 1 1 1 337.2296 *337.2385* 337.2385@1.2062281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 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 1 337.2385 *337.2417* 337.2417@1.2054687 1 1 1 1351 1 1 1 1 1 1 1 1 1 1590 1870 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1981 3143 1 1 1 1 1 1359 1 1 1901 1 1 1 1 1 1 1 1 1 1 1 1520 1 1 1 1661 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 1 337.2417 *337.2496* 337.2496@1.2055925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.2496 *337.2542* 337.2542@1.2046728 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 4444 1836 1463 1 1 1 1 1 1 1 6752 1 1 1 1092 1 1 3650 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 1 1 1 1 1 1 337.2542 *337.2629* 337.2629@1.2076279 1 1 1 1 1 1 1 1 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 1 1 1 337.2629 *337.2957* 337.2957@1.0248783 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.2957 *337.2987* 337.2987@1.0250666 1 1 1 1 1 1 1 1 1 1 1369 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.2987 *337.3316* 337.3316@1.1503416 3844 3449 1 1 6272 1 1 1 4379 1 1 1 1 1 4977 1 1 1 1 1 1 1 6018 1 1 1 1 1 1 1 1 1 6178 1 5857 1 1 1 4082 5064 1 1 1 3345 1 1 1 1 1 1 1 6414 8553 5965 1 1 1 1 1 1 1 1 5732 4755 1 3465 3073 1 6041 1 2035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9535 1 1 1 337.3316 *337.3345* C22 H43 N O 67512 69530 119200 114617 75123 71658 88701 88457 76089 80099 153647 156663 75411 75766 65850 71346 74714 75715 65907 67415 63899 57360 81013 84887 80847 80268 96634 96053 77931 78644 75918 77269 60425 61927 121807 121396 147903 133326 117860 116197 95887 110071 87262 81248 123185 111055 70459 70391 63445 68661 97934 94403 64752 68466 149893 158093 55771 58626 83603 81644 72476 73443 72403 72924 67136 65851 70709 66339 62482 68150 76684 69624 69525 69767 72695 62366 66059 67252 62774 63789 83932 81326 123663 130247 64377 62848 96207 91998 79493 77826 337.3345 *338.0597* 338.0597@2.993787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2211 2162 1 1 1 1 1 1 1 1 1 1330 1 1 1588 1544 1 1 1 1 338.0597 *338.1312* 338.1312@3.9842834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1140 1 1 1 1 1 1 1 1 1 1 338.1312 *338.139* C12 H24 Cl2 N6 O 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1757 1 1 1 1814 1547 1 1 1 1 1232 1387 1 1 1 1 1 1 1687 1 1 1 1425 1 1 1 1602 1 1 1 1555 1 2790 2020 1 2021 1910 1851 1 1 1196 1260 3036 2815 1 1 1 1792 1 1 1 1 3138 2459 1 1 1 1 2332 2298 1 1919 3026 3001 1672 1 2298 2186 1858 1584 2173 2346 338.139 *338.1431* 338.1431@4.115918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4917 4916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.1431 *338.1522* 338.1522@1.930492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 2069 1 1 1 1 1 1 1 1 1 1 338.1522 *338.1662* 338.1662@1.5282487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 338.1662 *338.1901* 338.1901@1.1556425 1 1 1 1 1 1 3928 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 1 8143 1 1 1 1 1 1 1 1 1 1 1 338.1901 *338.196* 338.196@1.1443229 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1813 1 1 1 1 1414 1 1 1 1554 1 1 1 1 1 1 1 1 1 1 1 1427 1 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 3605 1243 1 1 1 1 1 1 1 1 1 338.196 *338.2072* 338.2072@1.147542 1 1 1 1 1 1 1 1 1989 1128 1 1 1 1 1189 1 1818 1 1 1 1204 1961 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1592 1 1 1 1183 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 1088 1 1 1 1455 1 1 1 1361 1 1 1245 1 1 1 1 1 1 1 1 338.2072 *338.2076* 338.2076@1.1452336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 338.2076 *338.2143* 338.2143@1.1603595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2143 *338.2184* 338.2184@1.5815843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2184 *338.2447* 338.2447@1.2086959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2447 *338.2547* 338.2547@1.3705287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3108 1 1 1 1 1486 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338.2547 *338.3321* 338.3321@1.1397297 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 338.3321 *339.0663* 339.0663@1.2061379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1827 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.0663 *339.0976* 339.0976@1.2079545 1 1 1 1 1986 4286 1 1 1 1 1 1 2505 1 1 1 4992 6966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 11271 12339 1 1 1 1 1 1 18037 18863 339.0976 *339.1346* 339.1346@2.0610857 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 3222 1 1 1 1 1 1 1 1 4785 1 1 1 1 1 1 1 1 1 8353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9416 1 1 1 1 1 1 1 1 1 10787 1 7004 6974 1 1 6311 1 1 1 339.1346 *339.1361* C14 H29 N O2 S3 3347 3506 2703 2979 1594 2011 3630 3387 3150 3384 3506 3530 3471 3237 3759 4737 3160 3729 6131 1 3728 3556 5292 5441 2730 2917 3590 3403 3905 3744 3226 1 1 1 2920 2773 6285 5791 3816 3556 1 4045 2612 2423 4812 4795 3457 3626 4346 4974 1 7770 6920 7046 4999 5722 2887 2884 4430 4741 9966 10072 4058 3652 4305 4762 3257 3651 4535 3914 1 8789 2653 2460 2548 2588 8542 8860 5925 4676 1 10260 1 1 8087 7187 1 6286 8043 8356 339.1361 *339.1489* 339.1489@1.7520512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7310 7076 1 1 1 1 1 1 1 1 1 1 339.1489 *339.151* 339.151@1.9294927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4515 4658 1 1 1 1 1 1 1 1 1 1 339.151 *339.1933* 339.1933@1.153116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 2484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.1933 *339.195* 339.195@4.2936416 1 1 1 1120 7646 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 1183 4774 5009 1 1 1 1 1 1 1 1 1 1 339.195 *339.2035* 339.2035@5.0765176 1 1 15602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2700 2810 1 1 1 1 1 1 1 1 1 1 1 1 14557 2827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2035 *339.2096* 339.2096@1.0822507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8635 14196 1 1 11392 10793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3472 12831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2096 *339.2127* 339.2127@1.0871238 1 1 2174 2047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2267 1 1 1792 1689 1233 1 1 1 339.2127 *339.2258* 339.2258@1.0797448 1455 1 1 1 1392 1 1 1 1 1 1 1032 1662 1823 1 1 1 1 1 1 1935 1 1 1 1 1 2190 2074 1 1 1706 1932 1 1 1 1292 1 1 1 1 1 1 1 1608 1 1450 1374 1 1 1 1 1968 1 1 1 1 1409 1 1 1 1589 2289 1375 1556 1240 1 1 1 1 1 1 1 1 1 1 1 1241 2106 1 2578 1 1 1987 2317 1 1 1 1 1 1 339.2258 *339.2303* 339.2303@1.0838373 1 1 1 1 1 1 1631 1410 1716 1646 1124 1 1 1 1 1 1 1360 1 1 1 2279 1782 1 1017 1 1 1 1 1 1 1 1 1 1 1 1541 1603 1 1 1 1 1 1 1 1 1 3418 1804 2020 1 1 1 1986 1 1 1 1 1 2622 1 1 1 1 1 1 1 1 1567 1518 1 1 1240 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2303 *339.2383* 339.2383@1.2035998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2383 *339.2512* 339.2512@3.7881176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8306 11014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11674 11087 1 1 1 1 1 1 1 1 1 1 339.2512 *339.2591* 339.2591@1.2004642 1 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 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 1 339.2591 *339.2659* 339.2659@1.1933607 1 1 1482 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1864 1019 1 1 1 1 1 1 1 1 1 1 1749 1 1 1 1 1 1010 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 1238 1 1 1 1 1 1 339.2659 *339.2727* 339.2727@1.1452802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 339.2727 *339.2734* 339.2734@1.1841071 1 1 1 1 1 1 1 1 1 1 6420 4907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8112 8456 1 1 1 1 1 1 1 1 1 1129 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 1 339.2734 *339.2823* 339.2823@1.1405432 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.2823 *339.302* 339.302@1.1130464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.302 *339.317* 339.317@1.1106771 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.317 *339.3845* 339.3845@3.8443737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 339.3845 *340.1111* 340.1111@5.8967924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1327 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1111 *340.1138* 340.1138@1.2918587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 220833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.1138 *340.1497* 340.1497@4.004778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9326 7707 1 1 1 1 1 1 1 1 1 1 340.1497 *340.1736* 340.1736@5.9901853 1 1 1 1 1 1 1 1 1 1 1 1 20530 21114 1 1 119678 117652 1 1 1 1 1 1 1 1 1 1 12455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24702 1044 1 1 1 1 1 1 1 1 1 1 340.1736 *340.1822* 340.1822@1.0461664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 340.1822 *340.1896* Pentamidine 2463 1807 1717 1728 1 2317 1 1501 1351 1 1108 1398 1851 2460 3714 3807 2145 1592 2863 3226 1221 1546 1 1 2732 2789 1 1 2214 2042 9244 9170 4043 4466 5180 5023 4431 3783 4297 3452 4587 4583 2825 2699 4018 3138 7690 8157 4376 4756 3981 5071 5349 5055 6515 7286 7519 6598 4937 5582 17315 6171 5356 4836 11996 11628 6631 5770 3801 4203 2861 3612 5471 5957 4707 4522 5042 5313 1 4392 3393 1494 3629 3528 1622 1931 2938 2801 8537 8386 C07420 340.1896 *340.19* 340.19@1.0746443 1 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4713 1 1 1 1 1 9853 2088 1 1 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22533 17404 1 1 1 1 1 1 6863 1842 1 1 1 1 1 1 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 340.19 *340.1989* 340.1989@1.0881636 1 1 1 1 3123 1 1 1 1 2123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1741 1456 1 1 2041 2219 1 1 1986 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3202 340.1989 *340.2136* 340.2136@3.9374623 1 1 1 1 1 1 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 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 1 340.2136 *340.2307* 340.2307@1.2091627 1 1 1 1 1 1 1 3113 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2307 *340.2364* 340.2364@1.8994617 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 10769 10685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2364 *340.2369* 340.2369@1.2092265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8351 4782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2634 3685 1 1 1 1 1 1 1 1 1 1 1 1 5060 4350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2369 *340.2389* 340.2389@2.0332336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2389 *340.2397* 340.2397@2.943792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 2377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2397 *340.2404* 340.2404@2.911813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 340.2404 *340.2489* 340.2489@1.2089896 1 1 1635 1532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2489 *340.2579* 340.2579@3.7893934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2579 *340.2696* 340.2696@1.1900529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.2696 *340.2812* 340.2812@1.0758123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1503 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 3282 3537 1 1 1 1 1 1 1 1 1 1 340.2812 *340.2884* 340.2884@1.0767916 1 1 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 2322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2432 3133 1 1 1 2653 1 1 1 1 1 1 1 3017 340.2884 *340.2964* 20-oxo-heneicosanoic acid 3486 3611 4796 3962 8714 8672 5164 5290 5003 5342 6489 6550 4993 4699 6685 7159 7962 7650 5042 4566 6721 6113 5093 4084 5655 6295 1 1 9545 9381 4360 4395 6654 6811 9153 9217 4552 3770 8907 8788 7404 7575 5331 5677 1565 2003 1 1 5852 5529 11478 10131 4713 4538 5454 5904 1 1 7679 6649 1 1984 4551 4762 5536 5092 1471 1 5109 4874 7177 6983 2145 1789 1 1 1 1 1 1 2837 1 9043 8626 1 1 5383 5474 2735 1 340.2964 *340.3457* 340.3457@4.2376738 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 340.3457 *341.1116* 341.1116@1.2058833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2078 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.1116 *341.1781* 341.1781@1.6560581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2284 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 1 341.1781 *341.186* 341.186@4.103035 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.186 *341.1913* 341.1913@1.2017672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.1913 *341.2048* 341.2048@1.3843008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1873 2002 1 1 1 1 1 1 1 1 1 1 341.2048 *341.2048* 341.2048@3.22403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12283 12413 1 1 1 1 1 1 1 1 1 1 341.2048 *341.2049* 341.2049@1.7521744 1 1 1 1 1612 1366 1 1144 1 1 1 1 1 1 1 1 1 1 1 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 10528 1 1 1 1 1 1 1 1 1 1 341.2049 *341.2052* 341.2052@1.6648388 1 3052 1 1 4585 4841 2982 1 4128 1759 1627 1 2052 2273 1 1 1 1 2238 1 1 1 1 1 1 1 3511 3154 2563 2395 1 1 1 1 2821 1 2172 2301 1 1 1 1 5969 1821 1 1 3501 1770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 1901 1 1 1 1958 1 1 33590 19605 1 1 1 1 1 1 1 1 1 1 341.2052 *341.2067* 341.2067@6.5630083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2067 *341.2116* 341.2116@1.4197079 1 1 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2116 *341.2191* 341.2191@1.0587528 1 2109 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 4219 1 1 1 2633 1 1 1 1 1 1 1 4705 1 1 2118 1 1 1 1 4767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2191 *341.2224* 12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid 2363 1 1 2518 2108 1 3063 2064 2565 3321 2648 2544 4383 4495 2470 2892 1970 1 3206 5415 1 3686 2305 2492 4627 4657 3345 4476 1 2822 13466 12992 1 2291 1121 3000 1 3372 1 1 2617 2261 4229 4039 8900 1 1 1 1783 1 3957 3378 8395 5199 1 1 6919 1 6284 9076 1 1 6056 1 1 1 1 3631 7905 8470 2188 2016 1 4046 7084 1 1 7883 3066 3182 6418 4697 2484 3235 1892 2275 7331 7697 10268 1 341.2224 *341.2376* 341.2376@1.8884352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 341.2376 *341.2592* 341.2592@1.191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 341.2592 *341.2715* 341.2715@1.1964452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 341.2715 *341.2857* 341.2857@1.193946 1 1 1 1952 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 2975 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 7557 1 1 1 1 1 1 1 1 1 341.2857 *341.29* 341.29@1.1954396 1 1 2031 1 1 1 1 1 1 1 4269 3618 1 1 1 1 1 1 1 1 1 1 1 1 1 1528 5147 4409 1074 1296 1 1 1 1 1 1 1 1 1 1 1919 1450 1 1 23673 20260 1 1 1 1 1 1 1 1 1 1 1 1 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 2334 1 1 1 1 1 1 341.29 *342.1068* 342.1068@1.942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 342.1068 *342.1228* 342.1228@1.3623081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.1228 *342.1499* 342.1499@1.0387253 9967 6123 26081 26112 7372 7379 8368 7348 11805 10257 10187 10629 12679 13599 6626 7646 27300 27630 17174 18531 8465 7862 8274 7653 5761 5879 5366 5933 6885 7447 2779 2547 5748 6308 8438 7043 4209 4284 7729 4588 9679 9201 8148 10165 5766 3474 39132 37339 7214 8647 12362 12079 13787 12971 9893 10020 7759 9273 4814 5050 71931 71014 2460 3618 9978 8004 2557 4654 5520 3381 1729 1569 5570 2508 2785 2406 3569 3790 5606 9138 2115 1 9999 9258 3357 3289 4808 5107 4653 4817 342.1499 *342.1573* 342.1573@1.0469217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 342.1573 *342.1806* 342.1806@1.1993979 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 1465 1 1 1 1 1 1 1 1 1 1 1 1 2150 1 1 1 1 1 1 1 1 1 1 342.1806 *342.1826* 342.1826@2.1414165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2212 1 1 1 1 1 1 1 1 1 1 342.1826 *342.1876* 342.1876@1.2060024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1114 1 1 1 2351 1 1 1 1 1 1 1 1 1 1 1 342.1876 *342.2064* 342.2064@1.4830029 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2064 *342.2084* 342.2084@1.2041175 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 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2084 *342.2191* 342.2191@1.1320127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 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 1 1 1 1 1 1 342.2191 *342.2271* 342.2271@1.1252065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1139 1 1 1 342.2271 *342.2897* C19 H38 N2 O3 3567 1278 7742 7426 3237 1619 1626 6060 4241 4445 8384 7445 7271 5942 2854 7119 6709 4512 11166 10872 3054 7290 6432 6913 6352 1796 10624 2561 6371 5133 6347 7611 6273 6161 1398 8207 7419 7324 4509 2898 7000 5797 5485 6247 1178 10446 8921 8817 2300 2375 5591 5669 11324 3806 4313 5938 10835 7063 10011 5043 7650 9885 3101 5560 22903 22937 1 1 1986 7851 6610 2252 7450 1638 8805 1 8605 2622 14020 12628 7703 9303 10432 2912 13397 11880 8739 9077 10639 5727 342.2897 *342.2902* 342.2902@5.263729 1 1 1 1 1 1 1660 1163 1 2409 1 1 1 1462 1 1 1 1361 1 1 1 1 1 1 1 5888 1 8584 1 1 1 1 1370 1 1742 1054 1 1 1 1 1 1 1 1 8415 1 1 1 2106 2622 1 1 1 1342 1 1976 1 3391 1490 1 1 1 1 2533 1 1 1 1 1552 1 2426 7647 1 1 1 1 1 1 1 1 1026 2072 1 1 1 1 1 1941 1 3202 342.2902 *342.2913* 342.2913@5.2416105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.2913 *342.301* 342.301@4.030082 1 1 1 1 1 1 1 1 3140 3519 1 1619 1 1 1 1 1 1 1 1 3442 2929 6006 6452 1 1 2507 2248 1 1 1980 1402 1 1 1 1 1184 1 1 1 1 1 1 1 2019 1772 1 1 2016 2338 1 1 2104 1903 1 1238 1 1 1 1414 1494 1372 1 1 1334 1515 6852 6130 2366 2396 1 1 1 1 1 1 1 1 20706 20255 1 1 2227 1793 1 1 1 1 2348 1835 342.301 *342.3245* 342.3245@4.394798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16124 17015 1 1 1 1 1 1 6653 7198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.3245 *342.9732* 342.9732@1.4404466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 342.9732 *343.1053* 343.1053@1.9389887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3624 3713 1 1 1 1 1 1 1 1 1 1 343.1053 *343.1298* 343.1298@2.895348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2058 2188 1 1 1 1 1501 1 1 1 1 1 1 1 1 1 1 1 1 1 2208 1 1 1 1 1 343.1298 *343.2003* 343.2003@1.0487865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2003 *343.2121* 343.2121@1.1396554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2121 *343.2175* 343.2175@1.1314865 1 1 8561 1 1 1 1 1 1 1 1 1 2088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3136 1 1 1 1 1 1 1 1 2925 5812 1 2452 1 1 1 1 6543 3297 1 2208 1 1 1 1 1 2433 3320 1 1 1 1 1 1 1 1 1 1 1 1 4706 1 1 1 1 1 1 1 1 1 1 2041 4478 1 2699 1 1 1 1 1 1 1 1 343.2175 *343.2183* 343.2183@2.4912393 1 1 1 1 1635 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 6659 5815 1 1 1 8829 1 1 1 1 1 1 1 1 1 1 2636 1 1 1 1 1 1 1 1 3968 1 1 1 1 1 1 1 1 1 1 6149 1 1 1 1 7505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2183 *343.2183* 343.2183@2.2026298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18593 1 1 1 1 4862 1 1 17675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4378 1 1 1 1 1 343.2183 *343.2184* 343.2184@2.1516793 1 1 1 16769 1 1 1 1 1 15436 1 1 31499 1 1 1 1 1 1 1 1 1 1 16859 1 1 15792 1 23173 17192 1 1 10963 13412 1 1 9002 20272 16199 1 1 15312 1 20519 1 1 1 1 1 14115 2757 1 1 1 24239 1 1 14622 1 35560 7684 1 1 7545 6063 1 11610 9306 15591 18596 1 7989 1 1 8098 16211 1 3668 1 10547 1 1 1 1 10105 14003 9606 8652 1 1 343.2184 *343.219* 343.219@0.957257 4275 1 1 1 1 1 5772 5566 3284 1 3932 4530 7831 9437 12680 14237 16164 16074 1 1 10241 8797 1 1 1 1 4703 5068 8453 8062 2929 1 1 1 1 1 1 1 1 1 2843 3999 1 1 6709 7177 1 1 1 1 3918 5272 1 1 1 1 1 1 1886 3429 1 2109 7153 6165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 1 1 1 1 1 1 2066 343.219 *343.2192* C18 H33 N O3 S 1 81417 1 1 1 1 1 1 174782 1 2098 1 3486 1 80262 1 1 1 1 157699 44732 44318 61504 67590 1 3359 1 1 1 1 1 1 23406 23438 3378 1 3028 1 95899 101776 1 119953 1 1 1 1 1878 1 94803 97957 9094 10976 8072 5767 1 79363 79025 1 2556 1 5507 4850 111839 107865 1 5445 4828 4997 5528 3062 6073 6615 1 1 5832 5706 6460 4822 5655 5906 7077 6638 5861 52104 3745 5607 6155 6128 3039 1 343.2192 *343.2206* 343.2206@3.8764496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 343.2206 *343.2207* 343.2207@3.132398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158529 1 1 1 1 1 1 1 1 1 1 1 1 1 28459 32110 144457 140953 1 1 1 1 78676 1 1 1 1 1 1 1 23930 17195 1 1 1 1 1 1 84636 1 1 1 1 1 112480 110097 50821 1 104848 101137 1 1 1 1 343.2207 *343.221* 343.221@3.9062085 1 1 3107 2013 1211 1 1 1 1 2544 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 2070 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 1079 1 1 1 1 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 1 1 343.221 *343.221* 343.221@3.2254272 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.221 *343.2231* 343.2231@1.1210308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2231 *343.3029* 343.3029@4.015596 1 1 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 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 2202 2040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.3029 *343.3051* 343.3051@1.2056321 1 1 1855 1417 2075 2347 1 1 1 1 1559 1105 1 1 1 1 1 1 1 1976 1 1 1 1 1116 1168 1894 1862 3222 3248 1 1042 1 1 1 1 5109 5068 1 1 2586 2012 1103 1 1872 2173 1 1 1 1 1 1 1 2463 1 1 1 1 1 1 1 1 1 1891 1 1 1 1 1 1 1 1126 1 1 1 1 2166 1 1 1 1 1 1797 2178 1 1 1 1 1 2260 343.3051 *343.3082* 343.3082@1.2057676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28125 28958 4330 1 1 1 1 1 1 1 1 1 9614 10272 1 1 1 1 1 1 2560 1 343.3082 *343.3419* 343.3419@4.087391 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 343.3419 *343.3747* 343.3747@3.1220617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8314 6549 1 1 1 1 1 1 1 1 1 1 343.3747 *343.8579* 343.8579@3.1149917 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 1 1 1 1 1 1 343.8579 *343.866* 343.866@3.1121397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 343.866 *343.9861* 343.9861@3.1266785 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.9861 *344.1005* 344.1005@1.0819626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10503 10814 1 1 1 1 344.1005 *344.1006* 344.1006@2.188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3640 1 1 1 1 1 1 1 1 1 1 344.1006 *344.1011* 344.1011@1.9444869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5983 6405 1 1 1 1 1 1 1 1 1 1 344.1011 *344.1207* 344.1207@4.5921764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4282 4152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1207 *344.1222* 344.1222@5.6800265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2849 344.1222 *344.1293* 344.1293@4.7021637 1 1 1 1 1 1 1 1 1 1 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 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1293 *344.1767* 344.1767@1.2260156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 344.1767 *344.1833* Granisetron metabolite 1 1 1 3520 3067 1 1 3210 2555 1144 1 3554 4688 1 1 1 1491 1 1 7682 7556 2138 1942 2602 1616 1 1 1 1 4263 1 1 1 1 1 1856 1421 1 1 6582 5484 2880 3267 3502 3125 6833 7010 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1 9678 2356 2712 4499 4893 1 1 20896 1 8997 9686 1 1 1 1 4980 5146 1 1 1 1 1 1 1 1 1 1 1 1 344.1833 *344.1899* 344.1899@1.4327519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5249 3231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2647 1692 1 1 1 1 1 1 1 1 1 1462 1 1 1 1 1 1 1 1 1 1 344.1899 *344.1933* 344.1933@1.2139611 1 1 1 1 1 1 1 1 1 1 1 1 1366 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1737 1479 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 8419 1 1 1 1 1 1 1 1 1 1 1 344.1933 *344.208* 344.208@1.1575447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 7031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 344.208 *344.2106* 344.2106@1.0384862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2106 *344.2146* 344.2146@1.0454276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 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 1 344.2146 *344.2217* 344.2217@2.1846693 1 1 1 1 1 2688 1 1 1 1 1 1390 1 1 1 1 3811 1 1 1 1 1 1 1 1 1 1 1376 1 1249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2049 1 1289 2449 1 2565 1055 1 2684 1 3161 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 1 344.2217 *344.2238* 344.2238@3.1875257 1 11311 1 1 1 1 1 1 1 1 3864 1 1 1 1 1 1 1 1 1 1 1 3439 1 1 5391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12503 1 1 1 1 3396 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 11727 1 1 1 1 9020 1 1 1 1 1 1 5209 1 1 1 1 1 1 1 1 1 1 2635 4118 344.2238 *344.2239* 344.2239@3.107267 1 4179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2239 *344.2254* 344.2254@2.2355406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 344.2254 *344.2257* 344.2257@3.193242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 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 1 1 1 1 1 1 344.2257 *344.2271* 344.2271@1.4585125 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.2271 *344.2564* sn-1,2-Dioctanoylglycerol 48975 49213 58262 55195 74777 74905 65983 65260 32000 73383 66778 64461 84614 77868 79085 59464 75577 77826 64791 73056 61954 24460 77489 78965 57272 50958 54687 63668 78469 77060 39222 63209 71759 72479 62874 64038 47596 48243 50774 53914 36356 60125 63095 64302 39925 42701 47732 50572 57843 12722 64561 74470 65975 70440 55243 66631 41775 45595 66257 64519 60620 63382 44393 74420 33686 36039 47485 49153 63168 62817 68532 69267 58904 56232 47107 44111 55133 55648 35377 63969 53370 59824 76257 41587 37364 41594 57456 39818 55768 53676 344.2564 *344.257* 344.257@1.1226319 1 1 1 1 1 1 1 1 17807 4125 1 1 1 1 5906 1 1 1 1 1 1 38151 1 1 1 1 1 1 1 1 6232 1 1 1 2078 1 1 1 1 1 1 2912 1 1 1 1 1 1 3792 3197 5963 1 1 1 10016 1 1 1 2393 3451 1 1 5843 1 1 2875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.257 *344.2578* 344.2578@1.0994362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6583 1 1 1 1 1 1 1 1 1 1 1 24515 1 1 1 1 1 1 344.2578 *345.0176* C21 H3 N3 O3 2384 2674 3088 3204 1907 2070 2123 2381 2093 1784 3315 3859 2474 2383 2686 2813 3813 3236 2073 2538 2451 2700 1823 1916 2528 2643 2507 2600 2718 2586 2902 3114 2437 2600 2525 2449 1829 1814 2137 2258 2919 2830 2344 2372 2237 2046 2336 2206 2501 2172 3937 3349 3940 4086 2950 3028 2908 2892 2152 2182 3851 3959 3694 3295 5599 5538 2896 2502 3685 4069 4347 3789 4095 3598 4149 4141 3979 4307 2754 2642 3751 3539 4385 5039 3229 3562 7784 8059 3211 3451 345.0176 *345.0697* 345.0697@2.4126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1 345.0697 *345.0713* C15 H23 N S4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4139 4169 1342 1391 1647 1 5372 3207 5142 2421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 2071 1 5770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1 1 1 1 1 1 1 1 3327 2976 1 1 1 1293 2152 1 1 1 4209 2524 3631 3410 345.0713 *345.0713* 345.0713@2.3386996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2938 1 1 345.0713 *345.1143* 345.1143@1.5423875 1 1 15442 14814 1 1 1 1 1 1 1 1 6230 5561 1 1 29521 24853 1 1 8917 8253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5725 5884 1 1 1 1 9266 9427 1 1 1 1 12783 15284 1 1 55196 55097 1 1 1 1 1 1 1 1 1 1 6633 7686 1 1 1 1 1 1 1 1 11388 12491 1 1 1 1 1 1 5035 4848 345.1143 *345.1147* 345.1147@1.3014492 1 1 166073 164184 1 1 1 1 3975 4298 1 1 70223 71954 1 1 288366 282825 1 1 94097 93117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60741 60141 1 1 1 1 86934 86722 1 1 1 1 162318 163777 1 1 577797 616219 1 1 1 1 1 1 1 1 1 1 73409 69907 1 1 1 1 1 1 1 1 128255 129085 1 1 1 1 1 1 48650 49566 345.1147 *345.1158* 345.1158@1.4356598 1 1 1 2497 1 1 1 1 1 1 1 1 1807 1711 1 1 2570 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 1246 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41748 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 3162 3454 1 1 1 1 1 1 1 1 345.1158 *345.2063* 345.2063@4.796146 1 1 3569 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2063 *345.226* 345.226@3.1143668 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.226 *345.2278* 345.2278@1.1281116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1 1 1 1 345.2278 *345.2303* 345.2303@3.149324 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1046 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 3386 1 1786 1 4246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 345.2303 *345.2351* 345.2351@3.1352046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 345.2351 *345.2371* 345.2371@1.1308048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 345.2371 *345.2565* 345.2565@1.2057533 1 1 1 1 1 1 1 1 1 1 1 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2565 *345.2618* 345.2618@1.1570036 1 1 6922 6432 1 1 1 1 1 1 4069 7122 1 4515 1 1 1 1 1 1 1 1 1 1 1 6296 6595 3703 1 1 1 1 1 1 1 1 2350 2615 1 1 1 1 1 1 6279 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 1 1 1 1 1 1 1 1 1 1 6214 1080 1 8886 1 1 1 1 1 1 345.2618 *345.2671* 345.2671@1.060735 1 1 1 1 1 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 1 345.2671 *345.2684* 345.2684@1.3128353 1 1 2097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 9233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2684 *345.2838* 345.2838@2.4503324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2838 *345.2841* 345.2841@2.9018104 1826 2105 1632 1 1 1167 1 1 1821 1 1 1 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1828 1943 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 3247 1126 1 1 1 1374 1 1 1 1 4583 7559 2041 1 1 1 7482 5448 2672 1911 3402 4298 8152 5903 2422 3183 2022 2142 1 1 345.2841 *345.2843* 345.2843@2.1172059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1590 1 1 2333 1 1 2483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.2843 *345.2845* 345.2845@2.1060185 1 1 1 1 2521 1 4695 1 1 1 3249 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 3753 1 1 5489 1 1 1836 1 1 1 2775 1 1 1 1 1 1 1 1 1 1 1 2763 1 1 1691 1 1 1 1 1 1 1 2473 1 1 2195 1 1 1 1 1 2086 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 345.2845 *345.2846* AVOCADENE ACETATE + 2.1598163 1121 1 5229 1 1423 2048 3368 9908 2618 1 3676 1573 1 4161 3921 1 1 5009 1 5825 2019 1 1 2283 1 1126 1 4141 1 2402 1 6466 7128 1 2020 3247 2254 1 1156 1177 1 1 2325 1 1 1 2038 3589 1 1932 1 1 2986 1 2161 2709 2512 1988 3612 1 1 2968 1 3132 1 1096 1463 1 3666 2809 1702 1 1 1 3667 3781 3510 1 1570 1016 1 1 2335 3690 1259 1 1251 1121 3159 2822 345.2846 *345.285* 345.285@2.0776868 1 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 1 1 1 1 1 1 1 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 1 345.285 *345.2863* 345.2863@2.94419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1168 2700 3226 1 1 1 345.2863 *345.3008* 345.3008@3.861353 1 1 1 1 1 1 1 1 13179 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10621 3373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6796 2028 1 1 345.3008 *345.3016* 345.3016@3.8635283 1 1 1 1425 1 1 1 1 6091 5184 1 1 1 1 1 1 1 1 1 1 1 1 13965 14782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 5268 1 1 345.3016 *345.3358* 345.3358@1.2984074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 345.3358 *346.0814* 346.0814@2.7276611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266919 267472 1 1 1 1 346.0814 *346.1203* 346.1203@1.4867191 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 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 1 346.1203 *346.1653* 346.1653@1.1157128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1653 *346.1764* 346.1764@1.195236 1 1 1 1 1 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 1 346.1764 *346.183* 346.183@1.4250083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.183 *346.1971* 346.1971@1.0711246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1971 *346.2029* 346.2029@1.2060602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3045 2734 1 1 1769 1 1 3743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2029 *346.2099* 346.2099@1.1636641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6656 1 1 1 1 1 1 1187 1 1 1 1 9884 1 1 1 1 1 1 1 1 1 1 346.2099 *346.2154* 346.2154@1.0438234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2154 *346.2167* 346.2167@2.0335388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2167 *346.2169* 346.2169@1.0492767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2661 1 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 1 1 1 346.2169 *346.2191* Lys Leu Ser 12065 10204 6000 6335 8104 8564 8226 8886 7881 7442 12391 13570 7107 6079 7282 6946 12044 11451 8531 8173 7511 7503 8507 8544 8654 8986 9477 10154 9196 11876 10346 9268 12021 14724 11024 10487 12561 13453 12880 15021 12314 12735 8581 9238 9702 12272 11535 11472 13371 12213 12924 14685 15541 17898 15406 14259 18713 17877 10180 11032 11795 13042 15959 18077 15359 14076 21278 20661 17430 19239 20498 19249 14917 16279 11284 12434 14171 15050 13470 14675 15420 14623 16414 14891 13473 14878 15048 15688 10795 11660 346.2191 *346.2233* 346.2233@1.4472646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 3269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2233 *346.2238* 346.2238@1.7001715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2238 *346.2255* 346.2255@1.6695218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2255 *346.2525* 346.2525@1.1568366 1 1 1 1 1 1 1 1 1 1 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 5336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2525 *346.2658* 346.2658@1.1548707 1 1 1 1 1 1 1 1 1 1 1745 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1482 1 1752 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.2658 *347.0448* 347.0448@2.1823661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.0448 *347.0456* 347.0456@2.161155 1 1 1 1509 1 1 1 1 1 1 1751 2595 1 1 1495 1 1 1 1 1 2159 1 1 1 1 1 1638 1 1 1 3182 1864 1 2737 1 2071 1 1 1 1 1 1 1 1 1093 1 1 1902 1 1 1 1 1 1 1 1 1 1 1 1 2327 2562 1 2031 1 2607 3792 3236 2503 1922 2318 3872 1 1 1 2235 1 1878 1233 1706 1 1 1 1 2664 1 1747 1 1 1 347.0456 *347.2334* C17 H34 Cl N3 O2 8356 9108 12516 11984 1 4655 7655 6630 10319 12811 1 1 7837 7538 12721 12285 4374 1 14501 14348 8380 8547 12366 12016 1 1 1 1 13599 13577 11264 11501 14507 14940 19121 19079 29204 28295 14411 13207 1 11805 21902 23448 2278 5977 13362 13132 12340 10392 7994 9117 8339 8390 1 1 10330 9597 8409 8250 1 1 10539 10374 7666 7348 7824 9651 8915 10308 8370 7778 11747 11654 6401 6760 5041 5367 9648 9845 1 1 1 1 6574 6199 13500 13128 1 1 347.2334 *347.2412* 347.2412@1.1927562 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 2531 1 1 1 1 1 1 12335 12904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11498 1 1 1 1 1 1 1 1 1 1 1 1 1 11501 12031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11715 12683 1 1 1 1 1 1 347.2412 *347.2539* 347.2539@1.181323 1 1 1 1 1 1 1 1 1 1 16445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1611 347.2539 *347.265* 347.265@1.1803683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17627 19224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 45894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.265 *347.2786* 347.2786@1.1625623 1 1 4208 1 1 1 1 1 1 1 1 4876 1 1 1 1 1 1 1 1 1302 1 1 1 5062 5366 1 1 1 1 1 1 1 1 1 2616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1759 1576 1 1 1 1 1 1 1 3611 1 1 347.2786 *347.2818* 347.2818@1.1523318 1 1 1 3467 1 1 1 1 1 1 18395 1 1 1 1 1 1 1 1 1 1 1 2472 1 1 1 18307 17286 1 1 1 1 1 1 1 1 7830 8425 1 1 7295 1 1 1854 22928 1 1 1 1 1 1 1 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 15107 13664 6826 1 1 1 1 1 1 1 347.2818 *347.2856* 347.2856@1.1532899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7029 1 1 1 1 1 1 347.2856 *347.3014* 347.3014@1.1139749 1 1 1 1 1 6084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.3014 *347.3033* 347.3033@1.0874717 1 1 1 1 1 29478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30850 1 1 1 1 1 1 1 1 1 24282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 347.3033 *347.3172* 347.3172@3.8776112 1 1 1 1 1 1 1 1 2256 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.3172 *347.3179* 347.3179@3.9949555 1 1 1 1 1 1 1 1 7298 3727 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 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 1 347.3179 *347.3187* 347.3187@3.9834116 1 1 1 1 1 1 1 1 4416 7601 1 1 1 1 1 1 1 1 1 1 1 1 1400 2767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4923 6961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.3187 *348.0438* 348.0438@2.1119692 1 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 1 1 1 2283 3786 1 1 1 1 1 1 1 6497 1 1 1 1 1 1 1 1 1 1 6905 1 1 1 1 1 1 1 1 1 1 1 1 10652 1 1 1 1 1 1 1 1 1 1 1 1 3299 2668 1 1 1 1 1 1 1 1 1 1 348.0438 *348.0438* C16 H16 N2 O S3 7103 7006 11522 11686 5851 7582 7964 5472 8951 6175 13103 13953 5910 5208 9398 9221 9184 9291 6833 9065 13464 11528 5653 5629 5223 5395 10285 7544 2957 4167 15885 9560 12766 12447 10879 11438 8331 11546 9439 9430 9531 2514 8390 10226 8074 8015 9038 10248 10964 10765 9463 8882 3683 11388 6558 6383 10547 10384 6519 6425 14474 13188 14579 13791 14006 2835 21704 22168 14206 14333 16751 18368 7519 8223 14086 13297 10034 10313 10173 10407 10965 11052 8817 8006 16981 17945 13431 13066 9164 9277 348.0438 *348.0744* 348.0744@1.2314646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1201 348.0744 *348.1615* 348.1615@1.1440706 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 1102 1 1 1 1 1192 1 1 1 1 1893 2723 1 1 1 1670 1 1 1 1 1 1583 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1344 1 1 1 1 1 1 1 1 1486 1 1 1 1 1 1 1 1 1 1591 2131 1 1 1 1 348.1615 *348.1669* 348.1669@1.1435167 1187 1 1 1 1 1 1 1203 1 1119 1 1 2192 1469 1536 1219 1 1488 1433 1279 1 1022 1 1 1 1 1 1 1 1 1 1 1135 1 1067 1350 1 1 1 1 1 1 1 1 1 1 1 1250 1412 1 1 1 1 1 1 1 1243 1228 1485 1715 1492 1 1375 1 1 1 1 1 1 1 1 1 1397 1178 1 1 1 1 1 1 1 1 1 1 1 1 1013 1099 1 1 348.1669 *348.1721* 348.1721@1.0307109 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 3587 2176 1838 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 1646 1 1 1 1 1 1 1 1 1 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 1 348.1721 *348.176* 348.176@2.0641992 1 1 3466 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 3098 1 1 1 1 1 1 1 1 1 1 1 4566 1 1 1 1 1 4690 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 1 348.176 *348.177* 348.177@3.2030756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 348.177 *348.1779* 348.1779@3.119135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 348.1779 *348.1825* 348.1825@1.3899158 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.1825 *348.1838* 348.1838@1.2773563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1622 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 1 1 1 1 348.1838 *348.195* 348.195@1.2077649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 348.195 *348.206* 348.206@1.0452857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.206 *348.215* 348.215@1.029925 1 1 2227 2274 1 1 2819 1 1 1 1 2039 2209 1 1 1 1939 2257 1 1 1 1 1 1 1 1 1 1 1 1 3664 3036 2384 1 1 1 2150 1 1 1 1 2416 1 1 1234 1 1 1869 1 1 1 1 2266 1 1 1 1 1 1 1 2706 1 1 1 1963 2431 1 1 1 1 1 1 2004 1 1 1 1 1 1 1 1 1 1 1 1 1 1883 1 1877 1 348.215 *348.2175* 348.2175@5.0837564 1 1 1471 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 348.2175 *348.2193* 348.2193@1.0313196 1 2347 1 1 2387 2141 1 2582 2420 2006 2730 1 1 1983 1869 1 1 1293 1 1 1 2385 1 2435 1687 1996 1 1979 1568 1 1 1 1 1 1 1 1 2782 2554 1 1716 1 1 1 1 1 1 1 1 1 1 1 1809 1 1 1422 2547 2460 1 1 1 1530 2154 1 1 1 1 2233 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 1 1 1 348.2193 *348.2308* 348.2308@1.1910743 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 1 1 1 1 1 1 1 1 1 348.2308 *348.2498* 348.2498@1.1986364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 348.2498 *348.2557* 348.2557@1.1866419 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.2557 *348.2677* 348.2677@1.172763 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 348.2677 *349.0497* 349.0497@2.1626492 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.0497 *349.0567* 349.0567@2.1768947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 349.0567 *349.0588* 349.0588@2.072419 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 9999 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 1 349.0588 *349.1563* 349.1563@7.7488823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30352 29175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.1563 *349.1958* 349.1958@1.1463693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 2438 1 1 1 1 1 1 1 1 1 1187 1 4375 6008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 3277 1 1 1 1 1 1 1 1 1601 1351 1007 1488 1110 1 1 1 1314 1650 1861 1772 349.1958 *349.2126* 349.2126@1.312936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2787 2453 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 1 1 1 349.2126 *349.2163* 349.2163@1.2178457 1 1 1 1 1 1 1 1 1 1 1337 1 1263 1 1 1 1 1 1 1 1 1 1 1071 1 1 2748 1580 1 1543 1 1 1 1 1 1 1257 1301 1851 2018 1059 1 1 1 3170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 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 1 349.2163 *349.2479* 349.2479@1.0492861 1 1 1150 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.2479 *349.2836* 349.2836@1.1944307 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.2836 *349.291* 349.291@1.1963315 1 1 1 1 1 1 1 1 1 1 1 1 1 2054 1 1 1 1 1 3652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3446 1 1 1 1 1 1 1 3831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.291 *349.2981* Mead Acid-EA 6917 5590 21998 20620 3633 3829 8730 6852 7245 5964 67412 69074 3935 2081 3275 4145 3380 3030 2750 1 2868 3762 8570 8486 28158 27299 71782 70841 5915 5764 2755 2864 2732 1 12069 13323 42822 44567 4222 4249 21515 21382 4402 5596 83795 86908 2638 1 1 2405 2832 1 6684 5971 33358 34886 1 2117 1 1 5728 6703 2021 1815 2490 2092 4526 1 1935 2753 2472 1 4031 3239 1 1 2824 3940 14501 13731 22113 22253 22945 22837 1 1290 10234 9514 1036 1306 349.2981 *349.3001* 349.3001@1.2915453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.3001 *349.312* 349.312@1.1097493 11497 2237 6255 1 3292 1 1 1 1 1 9841 8034 1 1 4195 1 2942 1 3651 2657 1 1 3360 1 4119 1 1 9149 5348 5418 1 3322 1 3685 1 1 1 1 1638 1 1 5415 6418 5155 1 1 3035 1 4318 2269 4079 1 1 1 6107 3738 2419 1 32258 1 4161 1 3231 2392 2564 1 1 1 1 2824 1 3394 1 1 1821 2148 1 3057 2881 4120 7436 1 1 1 1 1 1 3857 3570 3699 349.312 *349.317* 349.317@1.1081659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.317 *350.0598* 350.0598@1.7639446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2579 1 1 350.0598 *350.1203* Estrone sulfate 1 3823 3845 3784 1773 1684 2464 1 3664 1 3814 3442 1 2153 4434 4036 3216 3221 1 2246 1 1 1 2706 3677 3970 1 1 1 2377 3104 1 1 1 3023 2821 3533 3306 2798 3504 1 2112 1485 1505 3034 1 4347 4590 3093 2927 2430 1 2748 2792 3451 3884 2733 2696 1 1 1 3970 1 3105 4144 3636 3941 3930 3947 4399 5543 4844 2459 2388 4150 3532 2980 3047 1 1 1 3235 2256 1501 1 2304 3004 3073 1 1937 HMDB01425 C02538 350.1203 *350.1274* 350.1274@2.0390553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 3091 1 1 1 1 1 1 1 1 1 1815 1 350.1274 *350.1538* 350.1538@1.1737825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1538 *350.164* 350.164@1.1707636 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.164 *350.1924* 350.1924@1.1967895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 350.1924 *350.2021* 350.2021@1.1785396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2752 2845 1 1 1 1 1 1 1 1 1 1 350.2021 *350.2095* 350.2095@1.164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 350.2095 *350.2158* 350.2158@1.1942055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2158 *350.2425* 350.2425@1.4410758 1 1 1 1 1 1 1 3242 2907 1 3845 3242 1 3525 2749 1 1619 3050 2013 3057 1 1 2370 2910 1 1 1 3585 1 1 2775 2749 1 1 1 1 1 4881 1 1 9582 6014 1 1 1 1 1 2656 1 1 1 1 1 1033 1 1 1 1 1 1 1 3860 1 1 1 4879 1 1 2105 2790 2804 1 5294 7797 1 6067 6597 5602 2839 1 4378 1 2466 1 1 1 1 1 1 1656 350.2425 *350.2426* 350.2426@1.4571279 1 1 1 1 1 1 1 1 1 2675 1 1 1281 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 1 1 1 1 1 1 1 1 1 2603 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1123 1 1 2882 1 1 6978 1 1 1 1 1 1 2202 1 1 1 1 1 1 1 1 350.2426 *350.2447* 350.2447@3.933231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1125 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 1 350.2447 *350.2859* 350.2859@1.1883407 1 1 1 1 1 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.2859 *350.2982* 350.2982@1.141784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1113 1 1 350.2982 *351.0378* MELOXICAM 11824 11956 11379 11469 12266 11595 11243 12745 11554 12396 11954 11750 11706 12148 13218 12589 11099 11310 12861 13186 13145 12681 12528 12335 10710 11817 11245 10996 10640 10649 12923 11704 13614 13894 12052 11898 10937 11228 13012 12299 12474 12471 12934 11894 11820 12224 11427 11770 10662 10464 16486 15594 13964 13962 14015 13759 12911 13781 11789 12561 19611 19593 13995 13584 16291 16045 17773 16584 13941 13219 19145 19201 13705 13749 15069 16209 18918 18711 17077 16723 18810 18998 18478 18675 18294 18330 17563 17360 18167 18098 351.0378 *351.0637* 351.0637@0.8454605 1 1 1 1 1 1 11748 12162 1 1 1 1 11676 11266 1 1 20839 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 1 1 1 1 1 1 1 1 1 1 1 1 29875 29921 1 1 1 1 1 1 1 1 16857 16161 1 1 1 1 1 1 1 1 1 1 24712 26816 351.0637 *351.145* 351.145@2.0549836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1530 1 1265 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 1336 1 1 1 1431 1 1 1527 1399 1 1 1449 1 1 1851 1 1 1489 1 1 1 1 1 1 1 1 1 1 1 1 1 2373 2410 1 1639 1 1 1 1 1 1820 1 1 351.145 *351.1492* 351.1492@2.0575373 1 1 1 1 1 1 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1221 1 1 1 1 1 1 1 1 1 1 1677 1 1996 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 1636 1 351.1492 *351.2262* 351.2262@1.1264412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2262 *351.2282* 351.2282@1.104372 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 3266 3591 1 1 1 1 1779 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4220 7273 1 1 1 1 1 1 1 1 1 1 4035 1 3956 4394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2282 *351.2402* 351.2402@1.4371871 1 1 1 1 1 1 1 1430 1 1 1 1 1 1658 1303 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 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 1675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2402 *351.2412* 351.2412@1.0665885 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.2412 *351.3106* 351.3106@1.2868567 1 1 1 1 1 1 1 1 1 1 2925 2767 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 3732 1 1 2156 1 1 1 1 1 1 1 1 1 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 1525 1 1 1 1 1 1 1 1 1 351.3106 *351.3115* Anandamide (20:2, n-6) + 1.2057526 12226 12977 28628 28158 5556 6457 17372 16644 10626 10849 150104 2151 5174 4421 5316 4007 4439 3761 4040 4866 6143 6465 15824 15183 1 48794 142671 5343 8654 8072 4402 5210 4813 4714 1 19827 1 73828 7170 7028 51181 64299 7314 7766 8270 232043 4403 3381 3431 3505 5775 5690 12309 11685 2783 59093 1 3116 8134 5991 15970 15186 5494 5564 5536 5772 7771 6943 4365 4756 5628 3520 8035 2948 3042 3402 5746 5459 14939 13235 57373 48960 53473 69263 2166 2772 1 23949 4920 4088 351.3115 *351.3134* 351.3134@1.1961464 1 1 1 1 1 1 1 1 1 1 1 123846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189028 1 1 1 1 1 1 1 1 1 56699 19347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.3134 *351.3136* Anandamide (20:2, n-6) 24442 17664 146590 145178 1 29700 42114 34620 26991 26345 259059 291154 22254 21290 9915 9619 17332 17570 12910 17410 12106 16293 55278 38035 70120 84953 205679 205336 34477 39819 20637 20120 16088 21064 1 62000 163836 172226 24654 25234 79132 80197 26387 25593 371732 342284 11818 15548 8278 9373 14433 18407 31130 31340 149821 111952 8744 6222 1 24056 24682 24877 13832 14157 14333 11117 26143 26456 13184 10104 15755 15790 24655 22419 8422 11342 21585 17584 25387 27479 76081 105321 113122 102590 6054 5143 35052 39615 11424 10972 351.3136 *352.0762* 352.0762@1.056929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.0762 *352.0893* 352.0893@1.3227563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2790 2778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 2158 1 1 1 1 1 1 2836 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.0893 *352.1133* 352.1133@3.755472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 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 1319 1 1 1 352.1133 *352.1349* 352.1349@1.934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3801 1 1 1 1 1 1 1 1 1 1 352.1349 *352.1528* C11 H24 N6 O5 S 23111 22738 16372 16368 3546 3758 6622 6802 22519 24145 13680 12916 18853 18900 1 34685 15264 17251 16010 15885 13994 14008 18535 18065 18755 18327 21311 22226 1 13234 13075 13905 1 1 8065 8434 18086 18677 16969 15618 8880 8921 3207 3372 16055 16018 13685 13887 17315 17527 20150 20090 17497 16755 25458 24452 11817 11317 13843 12976 28622 29849 10009 9606 16917 18529 14553 15373 19899 19677 1 44759 5236 4717 9372 10232 26628 26333 13501 14045 28764 27815 9709 10272 15126 14910 19216 20009 13221 14021 352.1528 *352.1683* 352.1683@1.2022777 1684 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3642 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 1 352.1683 *352.1984* 352.1984@1.1963519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.1984 *352.2099* 352.2099@1.0245417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2099 *352.2183* 352.2183@1.0973842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 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 1123 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 1179 1 1 1 1 1 1 1 1 1 1 352.2183 *352.2194* 352.2194@1.2224307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 352.2194 *352.2292* 352.2292@1.1381179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 2534 3000 352.2292 *352.2486* 352.2486@1.161165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2486 *352.2507* 352.2507@1.4305183 1402 1 1 1 1 1 1 2426 3248 1 1 1972 2621 2538 1 1 1 1 1 1 1 1 1 1 1 1 1646 2572 1 1 2203 1 1 1 1525 1 1 1 2945 1 1 2953 1 1 1 1 1 2325 1 1 1 1 4465 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 1 352.2507 *352.2539* 352.2539@1.4340093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1972 1 1 1 1 1 1 1 1 1 1 1 1 352.2539 *352.258* 352.258@1.0773623 1 1 1 1 1 16803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7711 1 1 1 1 1 1 1 1 1 5833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3367 1 1 1 1 1 1 1 1 1 352.258 *352.2648* 352.2648@1.3065954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2994 2348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2102 2506 4294 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.2648 *352.2661* 352.2661@1.1172857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 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 1 352.2661 *352.282* 352.282@1.3046722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5162 5301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.282 *352.3022* 352.3022@1.1443365 1 1 1 1 1 1 1 1 1 1 1 1 1057 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 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 2306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.3022 *352.3466* 352.3466@4.0472164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14860 15318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 352.3466 *353.0062* 353.0062@5.847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 353.0062 *353.0648* 353.0648@1.193779 1 1 1 1 5660 4181 1 1 1 1 1 1 1 1 1 1 1 7640 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4774 1 1 1 1 1 1 1 1 10805 353.0648 *353.1497* 353.1497@2.062491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16097 15156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 60153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21185 1 1 1 1 62934 1 1 1 1 45422 1 1 1 1 1 62336 353.1497 *353.159* 353.159@2.0636482 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.159 *353.1664* 353.1664@1.8035352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3966 1 1 1 1 1 1 1 1 1 1 353.1664 *353.2619* 353.2619@1.0613148 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 1282 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 1056 2269 1 1 1 1 1 1 1 1 1 1 1 1 353.2619 *353.2752* C21 H39 N O S 4148 6507 1 12749 6078 1 5018 4722 4394 5388 1 4993 6039 5918 6202 5906 5132 1 4528 4664 5289 5290 4711 4547 56207 56160 1 3703 1 1 5498 5454 5552 4967 1 1 6883 7584 1 1 4805 2896 1 7065 1 5436 1 4590 5275 4732 1 1 5376 5491 5143 6100 4913 5650 9685 9620 5710 5478 4795 5094 8045 5852 4729 4749 6921 5409 12435 12337 1 4842 4778 6480 4228 4598 4595 4405 4874 5073 1 1 4499 4056 5024 4782 5182 4640 353.2752 *353.2784* 353.2784@1.1674674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 353.2784 *353.2936* 353.2936@1.20094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.2936 *353.3196* 353.3196@1.1889203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.3196 *353.3261* 353.3261@1.1226982 1 4386 1 1 5836 1 1 7543 6232 7076 34537 41999 4614 4971 1 4093 5222 4881 4294 1 3882 1 1 1 1 1 1 31333 6422 1 4233 5275 4869 1 10175 10409 20051 26696 6208 5537 17607 14755 1 1 58003 58391 3549 1 3886 1 5456 1 5839 6004 25135 17787 1 2468 1 1 7136 6953 5044 1 1 4292 1 1 3864 3750 1 1 1 1 2590 1 1 4498 1 1 11346 12143 19830 15545 1 2491 9089 8956 1 3739 353.3261 *354.0685* C26 H10 O2 1 1104 1091 1 1 1 1312 1376 1848 2329 1 1442 1152 1 1 1739 1 1 1263 1641 1 1 1339 1468 1 1 1 1 1 1 3158 2896 1546 1707 1 1578 1814 1793 1936 2070 1812 1916 1142 1597 1224 1111 2694 2623 1 1 1122 1482 1641 1580 1 1 1026 1 1 1 2048 1848 1630 1818 1707 1534 1 1147 3117 2956 2425 2079 1552 1685 1840 1824 1942 2168 3094 3610 1 1376 1 1513 4044 4050 1558 1569 1939 1536 354.0685 *354.1043* 354.1043@1.1276703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7782 7522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1043 *354.115* 354.115@3.8118424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2782 1 1 1 14479 13857 1 1 1 1 1 1 1 1 1 1 3381 3166 1 1 1 1 1 1 1 1 7865 6576 1 1 1 1 1 1 1620 1 354.115 *354.1301* 354.1301@3.9753296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1825 1326 1 1 1 1 1256 1 1 1 1 1 354.1301 *354.1666* 354.1666@4.1457386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2083 1 1 1 1 1 1 1 1 1 1 354.1666 *354.1846* 354.1846@1.779 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 354.1846 *354.1848* 354.1848@1.8160323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3497 2605 1 1 1 1 1 1 1 1 1 1 354.1848 *354.1849* 354.1849@4.0124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3009 3978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.1849 *354.1944* 354.1944@3.972057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4077 1 1 1 1 1 1 1 1 354.1944 *354.1944* 354.1944@4.2968645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6573 6604 1 1 1 1 1 1 1 1 354.1944 *354.2074* 354.2074@4.0784845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4029 4277 2414 2054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3544 3386 354.2074 *354.2228* 354.2228@1.0194575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 2591 1 1 1 1 1 1 1 1726 1 1 1 1 1 1 1 1 1856 1982 1 1 1 1 1 1 1 1 1 1 2005 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 1 354.2228 *354.2393* 354.2393@1.1941489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 354.2393 *354.2772* 1-(9Z,12Z-octadecadienoyl)-rac-glycerol 22037 20579 33005 34093 39707 39822 33825 35143 35528 38814 35151 36455 52508 50270 43735 42692 42080 44499 39130 38181 32737 33843 35662 35758 45972 46375 34145 35426 45108 45299 41542 42749 33944 35564 27367 26316 22934 24634 28301 29543 34775 36135 33941 35394 21554 22273 22101 23607 26585 26729 38615 39594 41734 41008 33155 34039 9879 10989 31472 32282 32497 34510 42519 44125 30340 30643 29316 28444 39757 40408 43085 43648 33233 31410 21470 20551 37919 40995 33691 35896 33587 36724 47019 54398 10466 10334 32681 28588 20552 22599 354.2772 *354.281* 354.281@1.0989058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3178 1 1 1 1 1 1 4955 1 1 354.281 *354.2864* 354.2864@1.1274081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5821 1 1 1 1 1 1 1 354.2864 *354.3118* 354.3118@1.1965688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21276 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.3118 *354.3129* 354.3129@1.1482937 1 1 1 1 1 1 1 1 1 1 6121 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 3095 1 1 1 1 1 1 1 1 38795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.3129 *354.36* 354.36@4.2943125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.36 *355.0589* 355.0589@5.8292356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 355.0589 *355.1731* 355.1731@1.1351695 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.1731 *355.186* 355.186@1.8170313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8487 10126 1 1 1 1 1 1 1 1 1 1 355.186 *355.2005* 355.2005@2.13242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5766 5929 1 1 1 1 1 1 1 1 1 1 355.2005 *355.2146* 355.2146@1.0744717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5471 3278 1 1 1 1 1 1 1 1 355.2146 *355.2191* 355.2191@1.8916146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 355.2191 *355.2457* 355.2457@1.1995223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 355.2457 *355.267* 355.267@1.1930301 1 1 1 1 1 1 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 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 3183 1 3070 1 1 1 1 1 1 1 1 1430 1 1 355.267 *355.2722* 355.2722@1.1884753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 1 1 1056 1 1 1 2291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.2722 *355.2783* 355.2783@1.1912156 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2484 3039 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 2568 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 1 355.2783 *355.3061* 355.3061@1.1393728 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.3061 *355.3119* 355.3119@1.1387895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 355.3119 *356.0784* 356.0784@1.9424901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2601 1 1 1 1 1 356.0784 *356.086* 356.086@1.944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7431 1 1 1 1 1 1 1 1 1 1 356.086 *356.0901* 356.0901@1.2926157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.0901 *356.1139* 356.1139@1.6490859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1822 1 1 1 1 1 1 1 1 1 1 356.1139 *356.1199* 356.1199@1.2056478 1 1 1 1 2251 1 1028 1 1 1 1 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2046 1 1 1 1 72600 70302 1 1 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 356.1199 *356.1407* 356.1407@2.1023796 1 1 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.1407 *356.1436* 356.1436@3.996246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 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 1909 1 1 1 1 1 1013 1 1 1 1 356.1436 *356.1452* 356.1452@3.9335978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 356.1452 *356.1482* 356.1482@2.2668772 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 2076 1 1 1 1 1487 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 2503 2526 1 1 1046 1 1 1 1 1 1418 1353 356.1482 *356.149* C11 H28 N6 O S3 1 1 1649 1 1 1 3215 3057 1 1288 1 1441 1 1 1 1 1 1699 1 1 1 2054 2318 2031 1 1 2244 1822 1 1 1242 1669 1 1 1 1 1 1027 1046 1335 1965 2277 1 1 1 1 2140 2503 1 1 4428 4708 1 1 1917 2185 1 1 1992 2673 3717 4262 1 1269 1610 1 1970 1 1 1009 4052 5022 1327 1730 1 1 3883 4480 5780 5335 1 4324 4491 3962 3737 4805 2939 4010 4969 5297 356.149 *356.1498* 356.1498@2.0641825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 356.1498 *356.2064* 356.2064@1.0531281 1 1 1 1 1 1 1 1 1 1 1 1 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 1633 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2064 *356.2075* 356.2075@2.5457745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9381 9520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2075 *356.209* 356.209@3.6804671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4773 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 1 356.209 *356.2276* 356.2276@1.4996605 1 1 1 1 1 1 1 1 1 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 1118 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2276 *356.2309* C18 H32 N2 O5 1492 1570 2056 2321 1214 6779 4695 4653 5171 4691 4812 5123 7029 8161 1601 1730 3562 3670 4438 5030 2303 2507 1701 1801 1417 9832 4029 3855 3811 3450 12861 12638 1 1 2509 2911 6020 6716 4280 4107 4055 4340 8125 8910 1736 2445 5823 6162 3162 3970 1471 1 6110 6484 2570 2506 3589 3382 3843 4008 6388 6121 4820 4064 6555 6263 1 1049 2090 14634 10758 10813 2133 2829 1628 1 9373 9813 1653 10149 1 2144 1 2168 3533 3058 2645 2375 1336 1 356.2309 *356.2309* 356.2309@5.122694 1 1 1 14930 6007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9212 1 1 1 1 1 2050 1633 1 1 1 1 1 1 1 1 1 1 1060 1 1 12231 1 1 1 1 1 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2207 1 1334 1 1 1 1 1054 1 9718 1462 2156 1 1712 1 1 1 1 1 1 1 356.2309 *356.2316* 356.2316@1.4591258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 356.2316 *356.2326* 356.2326@1.2304634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16154 13238 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 16795 16446 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 356.2326 *356.2443* 356.2443@1.2061919 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1047 1 1 1 1 1 1 3210 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 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 1 1 1562 356.2443 *356.249* 356.249@1.2036663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1911 1158 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 1370 1 1131 1 1 1 1 1963 1 1 356.249 *356.2648* 356.2648@1.2054732 1 1 1 1 1 1 1 1 1587 1 2611 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 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 1036 1 1 1 1118 1113 1 1 1 1 1 1 1 1 1 1 2575 1 1 1 356.2648 *356.2711* 356.2711@1.2046422 1 1 1 1 2725 2776 11589 11525 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 5228 6805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.2711 *356.2926* 1-(11E-octadecenoyl)-rac-glycerol 10752 11196 17711 20639 24219 23715 19605 19150 22492 22355 22185 21059 28203 27416 26411 27250 24979 25124 23530 23708 20244 20402 22106 22808 19018 18041 21022 20732 27006 27393 26557 26960 21851 23415 16292 16253 14101 14208 16779 16890 24213 24154 17298 17332 15052 14692 13347 13233 16357 16404 27093 27877 28344 28808 20700 21131 4741 3893 18582 18375 21751 20915 26164 26198 19812 20326 16435 16291 23743 23287 22893 23698 18287 17561 11245 10607 21025 20879 19067 21519 21977 20552 29142 29887 6719 6569 19235 19564 12778 12995 356.2926 *356.3387* 356.3387@4.418359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 3174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.3387 *356.3404* 356.3404@4.2979455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19591 18063 1 1 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 356.3404 *357.114* ROSIGLITAZONE 1932 1818 1529 1551 1 1 1 1 2018 1843 1 1151 1383 1509 1 2711 1557 1451 1377 1820 1 1170 1164 1 1703 1340 1818 1708 1 1 1170 1138 1 1 1 1 1 1 1305 1909 1 1 1 1 1181 1163 1 1138 1650 1576 1 1053 1 1 1779 1 1 1 1183 1108 1858 1732 1 1 1486 1279 1 1 1675 1556 2375 2075 1 1 1 1 1 1306 2114 2308 1621 1721 1 1 1 1 1 1 1 1 HMDB05031 D00596 357.114 *357.122* 357.122@2.051694 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 1 1 1 1 1 1 1 1 1 1 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 1459 1 1 1 357.122 *357.1447* Met Ala His + 2.5042598 5404 5013 5895 5844 6052 5441 11706 11680 5694 6124 5957 5667 5554 4999 4244 1310 5954 5472 6928 6947 7986 8120 9512 8849 5368 5737 7482 7992 6585 6797 7090 7427 4238 3941 7065 6602 7080 4054 6386 7319 9538 9119 5204 6309 4690 4699 8463 8638 6501 6180 16402 18278 9517 9483 7744 8622 4186 4569 7463 9658 19632 18841 6585 2376 8396 7850 7509 7791 6720 2950 17512 17821 8299 7029 5440 5391 17652 17914 24562 24214 17738 19924 17945 17496 19583 18635 16438 15923 22892 21838 357.1447 *357.1452* 357.1452@2.538605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4023 1 1 1 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 357.1452 *357.1454* Met Ala His 1531 1020 1562 1818 2317 2167 2866 2774 1820 2067 1946 2029 1227 1221 1 2960 1493 1 1 1015 2167 2109 1621 1675 2574 2592 2474 2907 1 1151 2516 2444 1 1 2245 2079 1 1709 1783 2219 2256 1994 1796 2003 1 1 2208 2324 1 1 3501 3641 1735 1676 1384 1719 1569 1 1982 1821 5012 4535 1232 4292 2772 3242 1856 1984 1983 2010 5678 5620 2574 2076 2448 2291 4242 4501 9111 8778 4654 3782 3487 3440 4578 4699 3455 3514 5572 5496 357.1454 *357.2009* Lys Asn Pro 4575 4260 6325 5702 5532 5428 4870 5155 4701 5273 5143 5594 1 1 4319 3612 1 1 5606 6571 4246 3906 3795 4792 4861 1 4795 5109 1 10498 4386 4192 3458 3911 4454 5142 4218 4154 4336 4299 3885 3682 7059 7740 7859 8015 6919 6762 5921 5685 5158 2415 5361 6266 5164 5463 5864 5675 5767 5498 9555 10066 3544 3717 4040 4066 1545 3028 4819 4287 4884 5075 3584 3974 3040 3463 3782 4205 1 20811 3244 4688 2947 2799 3988 3596 3483 3615 5969 6165 357.2009 *357.2023* 357.2023@6.0149574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1 1 357.2023 *357.2203* 357.2203@1.0507702 3578 1 1 1 1 1 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 4478 1 2982 1 1750 1 1 1 6612 1 1 2411 1 3452 4039 1 1 2077 1 1265 1 1 1 1 1 2252 2308 1 1 1 10256 1 1 3594 3941 1 1 1 4693 1 1 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2097 1 357.2203 *357.2242* 357.2242@2.5079272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3297 1 1 1 2382 2497 1 357.2242 *357.227* 357.227@1.0503551 1 1 1 1 1 1 1 1 1 1 1 1 1686 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 1 1 1 2193 1 1 1 1 1 1 1 1 1855 2881 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 1 357.227 *357.2321* 357.2321@2.4182327 1 1 1 1 1 1 1 1 1 1 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.2321 *357.2322* 357.2322@2.5401094 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.2322 *357.2331* 357.2331@2.858049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1957 3636 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1157 1 1 1 1 1 2164 1 1 1 1 1 1 1 1 1 1 1 1 2064 4774 4760 3945 4282 1 1 1 1 1319 1 1 1 1 1 1332 1 1 1 1 1 2128 1837 1 1 1 1 1 1564 1 1715 1 1 1 1846 1 1826 1569 1681 1 1 357.2331 *357.2334* 357.2334@2.1179283 1 13058 1 1 5108 1 1 1 7142 1 7984 1 1 1 1 1 1 1 11777 5434 1 5414 1 1 11461 1 1 4553 1 1 6295 3138 5361 7092 1 8694 1 1 1 1 8490 7335 1 1 3740 6218 1 1 1 10684 1 1 8357 1 12984 11364 1 1 1 1 1 1 2161 6464 1 2180 2239 2853 5100 1 1 1279 5387 1 1 1 6295 1 1 1 1 4172 1 1 1 1 1 4151 6419 2435 357.2334 *357.2335* 357.2335@2.2766356 1 1 1 1 1 1 1 1 1 1 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1976 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 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.2335 *357.2336* 357.2336@2.2346892 1 1 1 1 1 1 1 1 1 5245 10779 1 1 3101 1 1 5719 1 1 1 1 1 1 1 1541 3151 1 13609 15861 1 2132 8247 6208 6930 2301 1 5582 5407 1 3565 9064 10051 3800 1 1 1 9257 1858 1 1 1 1 13714 1 1 1 1 1 1 1 1 1 7021 5892 1 1628 1773 1 1964 1 1 2034 3145 2544 1 1 2769 2203 1 1 1 1 1 1 1 1 1 1 2275 2080 357.2336 *357.2337* 357.2337@0.965154 1066 1 3340 1126 1 1 1878 1669 1 1 1585 1882 3972 3128 5714 5509 7734 7413 1 1 2553 2423 1 1 1 1 1482 2156 3434 3842 1434 1127 1 1 1 1 1 1 1 1 1864 1621 1 1 3012 3581 1 1 1 1 1 2171 2061 1835 1 1 1 1 1 1 1340 1006 2302 1 1 1 1 2373 1 1 1 1 1 1 1 1 1 1633 1 1233 1 1 1 1 1 1 1 1 1 1 357.2337 *357.2372* 357.2372@1.0595144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1 1 1 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 1760 1 1 1 1 1 1 1 1 1 1 357.2372 *357.2683* 357.2683@1.203711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 357.2683 *357.2812* 357.2812@1.2032918 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.2812 *357.36* 357.36@3.9379928 1 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 6397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1284 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1846 15636 15936 1 1 3548 1 1 1 357.36 *357.3604* C22 H47 N O2 1 1 14315 14244 1594 1 2754 3033 1 1694 51714 51942 1 1 1 1 1 1 1 1 1 1 2767 3000 26426 12354 21797 20128 1928 1 1 1 1 1 5352 11004 45014 43190 6476 9657 46034 47623 2993 3694 36585 35765 1 1 1 1 1 1214 3274 3736 24585 26661 1 1 5539 5465 3081 2781 1 1 1 1 1 1 1 1 1885 1931 1 1179 1 1 1 1 1 1 5779 5435 29891 27670 1 1 5386 8416 2562 1778 357.3604 *357.9737* 357.9737@1.0358261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.9737 *358.1052* QUERCETIN TETRAMETHYL (5,7,3',4') ETHER 6726 6887 6003 6258 1 1464 2329 2192 7644 8161 4303 4667 5858 5555 10790 11031 5573 5283 5269 5135 4297 4502 5366 5034 5005 5034 7119 7693 4016 3665 4981 4285 1 1 2369 2311 6020 5802 5286 6324 2545 2792 1 1168 4961 4730 4335 4166 5608 4175 3165 4290 4353 4153 6610 6630 2889 3091 1 3410 6236 6008 2650 2465 4478 4207 3295 3446 6381 6040 8695 8678 1410 1421 2629 2147 5267 5680 1 4902 5904 6266 2416 2148 3204 3769 4647 4333 2451 1 358.1052 *358.1248* 358.1248@1.7715449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3033 1 1 1 1 1 1 1 1 1 1 358.1248 *358.1348* 358.1348@4.402176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20030 19479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1348 *358.1859* 358.1859@1.2082971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1859 *358.1967* 358.1967@1.1979356 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 358.1967 *358.204* 358.204@1.2009934 1 1 2578 1156 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.204 *358.2134* 358.2134@1.1303878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2618 1 1 2454 3415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 1 1 1 1 1 358.2134 *358.2156* 358.2156@1.0845233 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7209 5903 1 1 1 1 2788 3819 3256 4961 1 1 1 1 1 1 1 1 1 1 1 1 3413 2304 1158 1 2256 1 1 1 1 3749 1 1 1093 1 1 1 1 4465 1157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3714 2115 1 1 1 1 1 1 1 1 1 1 358.2156 *358.2451* 358.2451@1.3962992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1319 1480 1373 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2451 *358.2506* 358.2506@1.023925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2506 *358.2662* 358.2662@1.0360701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.2662 *358.3054* 358.3054@2.1829367 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1999 4662 5125 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 4967 1 1 2133 2531 1 2007 1 1 1824 1 1 1538 1 1 1 1 1 1 1 2163 1 1418 2276 1 1 1 1 1144 1620 1 1 1 1535 1 1 1 1 1 1147 1 1 1 1 358.3054 *358.3064* 358.3064@2.0710235 1 1 1 1 1959 1 1 1564 1 1 2813 1 1375 1 4022 1 1 1 1 1 1 1 1 1 1 2000 1 2292 1 1 1961 1 1 1 1989 1 2348 1 1701 1 1 1 1 1 1 1 5207 1 1905 2991 1664 2733 1429 1 1 1 2626 1 2134 1091 1274 2184 1 1 1 1829 1 1148 1593 1 1155 1 1 1 1 1 1 1408 1 1 1210 1 1 1 1 1430 1483 1 1 1 358.3064 *358.3067* 358.3067@2.0508199 1 1 1 1 1 1 1 1 1 1 1956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.3067 *358.3068* 358.3068@2.1909552 1 1 1 1 1 1 1 1 1 1 2805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2787 1 1 1 1 1 1 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.3068 *358.3071* 358.3071@2.2869873 1 1 1 1 5280 1 1 1 1 1 2646 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 4084 1 1 1 1 1 1 1 1 4978 1 1 1 4219 1 1 1 1 1 1 1 3878 1 1 1111 1 2811 1 1 1 1 2628 1 1900 1 1153 1 1 1 1 1 1 1 2690 1 1 1 1 1 1 1 1 1 1 1 1 1511 1 1 1 1 1 1 1 1 358.3071 *358.3073* 358.3073@2.986793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.3073 *358.3075* 358.3075@2.90801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8450 1 1 1 1 1 1 1 1 1 1 1 1 358.3075 *358.3078* 1-octadecanoyl-rac-glycerol + 2.8676724 4448 6302 5186 4484 6088 1617 2872 3113 4351 6352 7107 2283 4262 1 5439 9012 1099 2504 2390 4601 2143 5858 2182 5088 3148 5199 5101 1 1 1 4981 2201 3842 5393 3136 1 1 1 5472 4042 1 4204 1 1 1 3199 2362 1 3737 6243 2763 6953 4854 3163 2588 5352 3929 2013 2850 2239 5571 7216 1 1 4423 1 2875 2483 1 1 10781 13842 1 1 3826 3474 9720 2407 1 3966 5260 12202 8806 11242 9586 6837 2800 8800 1 3370 358.3078 *358.3079* 358.3079@2.6294985 1 1 1 1 1 1 1 1 1 1 4172 1 2715 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 1 358.3079 *358.3084* 1-octadecanoyl-rac-glycerol 84996 86871 120852 123738 242383 243118 145028 148025 140513 142118 188189 197312 120416 118684 211435 213970 230893 229907 126221 125120 194728 191929 129656 128437 177949 174006 79069 81081 303747 297329 112227 114871 185529 181955 290177 286059 108864 117891 288692 287131 220686 218547 165139 165452 66774 64822 52749 53819 173614 173953 347756 343856 133516 134558 169269 161865 20528 20627 228761 224454 70198 72727 116171 113620 144502 143214 53032 53654 128236 125950 213832 220683 71214 71621 32487 32497 72186 70917 88705 85899 77301 77506 260875 274704 29176 23779 144684 141772 90824 93674 358.3084 *358.3088* 358.3088@1.1051006 1 1 1 1 1 1 1 1 1 1 6871 1 1 1 1 3803 1 1 1 1 1 1 3679 2655 1 1 1 1 1 1 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 1 358.3088 *358.3631* 358.3631@3.893724 1 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 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.3631 *359.0559* 359.0559@1.2063581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1084 1 1028 1 1 1 1 1 1 1 1 1 1 1061 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1084 1 1 1023 1 1 1053 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.0559 *359.0837* 359.0837@2.2799277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4616 4464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.0837 *359.1798* 359.1798@1.0421203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1098 1 1 1 2569 1 1 2836 1 1099 1 2141 1 1 1 1 3650 1 1 1 1 1 1 1 1 1 1 1 359.1798 *359.1857* 359.1857@1.0288837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2287 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.1857 *359.1971* 359.1971@1.1052175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.1971 *359.219* 359.219@1.2067573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.219 *359.2342* 359.2342@1.2060088 1 1 7290 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.2342 *359.2429* 359.2429@1.1998304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.2429 *359.2513* 359.2513@1.196662 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.2513 *359.3061* 359.3061@2.0822816 1 1 1 1 1 1 1 1 3329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.3061 *359.314* 359.314@1.1291745 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2439 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 4227 1 1 1 1111 359.314 *359.3426* 359.3426@2.9041946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 359.3426 *359.3528* 359.3528@2.8864443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5569 12885 1 1 2421 2258 1 1 1 1 3044 2240 2162 2879 3889 3868 2190 5874 1897 2333 7369 6780 1 1 359.3528 *359.3548* 359.3548@3.7452643 1 1 1 1 1 1 1 1 14109 26554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20460 12868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 4480 1 1 359.3548 *359.3549* 359.3549@3.6007118 1 1 1 1 1 1 1 1 42910 62336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13979 9129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1505 1 1 1 359.3549 *359.355* 359.355@3.3281987 1 1 1 1 1 1 1 1 41205 38581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2256 1 1 359.355 *359.355* 359.355@3.7012448 1 1 1 1 1 1 1 1 29618 31381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.355 *359.9703* 359.9703@1.038825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 359.9703 *360.0782* 360.0782@1.3197956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 360.0782 *360.1018* 360.1018@1.201584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 360.1018 *360.1511* 360.1511@1.9643016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 360.1511 *360.1903* 360.1903@1.1729137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 360.1903 *360.1927* 360.1927@1.1995834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.1927 *360.2068* 360.2068@1.1893752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 1 1 1 1 1 1 1 1 1 1 1 2098 1 1 1460 1 1 1 1 1 1 1 1 1 1 1 1 1 7501 8307 1 1 1 1 1 2838 1 1 1 2843 1 1 1 1 1 1932 1389 3734 3165 2169 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 360.2068 *360.2111* 360.2111@1.1996999 1 1 2284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 360.2111 *360.2163* 360.2163@1.1543932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6597 1 1 1917 1 1 1 1 1 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89299 87350 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3420 1 1 2092 1 1 1 1 1 1 1 1 360.2163 *360.2292* 360.2292@1.2023057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 1 1 1 1 1 1 360.2292 *360.3571* 360.3571@3.5833733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 360.3571 *360.9924* 360.9924@5.6338253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1291 1 1 1778 1 1 1114 1199 1 1347 1451 1 1 1 1 1 1 1 1 1169 1438 1584 1 1 2519 2527 1 1 360.9924 *361.0129* 361.0129@5.8278728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1420 1494 1 1 1 1 1199 1287 1440 1221 1 1 1797 1835 1362 1375 1241 1454 1005 1316 1001 1116 2123 2371 1 1 361.0129 *361.0874* 361.0874@2.9932868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.0874 *361.0905* 361.0905@1.2225888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 361.0905 *361.0981* 361.0981@1.204476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6915 6719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10984 1 361.0981 *361.1041* 361.1041@1.2068597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 361.1041 *361.1093* 361.1093@1.3609211 1 1 8104 8671 1 1 1 1 1 1 1 1 7694 7510 1 1 8225 8522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 1963 1 1 1 1 1253 1411 1 1 1 1 8059 7948 1 1 14266 14358 1 1 1 1 1 1 1 1 1 1 7763 8107 1 1 1 1 1 1 1 1 5100 5407 1 1 1 1 1 1 2891 2211 361.1093 *361.1096* 361.1096@1.5919498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.1096 *361.1098* 361.1098@1.7176845 1 1 2116 2111 1 1 1 1 2401 2444 1 1 4636 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 2921 2295 1 1 1 1 1 1 1 1 1 1 3754 3623 1 1 3037 2940 1 1 1 1 1 1 1 1 1 1 4522 4213 1 1 1 1 1 1 1 1 16855 16330 1 1 1 1 1 1 2135 2147 361.1098 *361.1101* 361.1101@1.1717103 1 1 249144 247891 1 1 1 1 3429 3417 1 1 24643 23565 1 1 19919 19694 1 1 7979 8706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7213 6725 1 1 1 1 6606 6563 1 1 1 1 31319 32532 1 1 64344 64821 1 1 1 1 1 1 1 1 1 1 20310 20904 1 1 2005 1846 1 1 1 1 28063 30398 1 1 1 1 1 1 12046 20151 361.1101 *361.1106* 361.1106@1.9491591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4935 3411 1 1 1 1 1 1 1 1 361.1106 *361.2205* 361.2205@1.212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7683 1 1 1 1 1 1 1 1 1 1 361.2205 *361.2392* 361.2392@1.1994987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.2392 *361.2467* 361.2467@1.1984081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.2467 *361.2563* 361.2563@1.1836668 1 1 1745 1127 1 1 1 1 1 1 1 1 1 1158 1 1 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 1 1 1 1 1521 1 3769 3411 1 1 1 1651 1 1 1695 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 2312 1427 1973 1 1 1 1 1 1 361.2563 *361.2598* 361.2598@1.1294332 1 1 1 1 1 1 1 1 1 1 1 4194 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1022 1 1 2180 1 1 1 1 1 1 1 1 1 361.2598 *361.2719* 361.2719@1.1706691 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.2719 *361.2831* 361.2831@1.134318 1 1 1 1 1 4031 1 1 1 1 1 1 1 1 1 1777 1 1 8527 1 4388 1 1 1 1 1 1 1 1 1 1 3071 1 1 1 1 1 1 1 1 15680 1 1 1 1 1 2402 1 1 25126 1235 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 25275 1 1 1 1 1 1 1 1 1 1 3719 361.2831 *361.2843* 361.2843@1.094655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.2843 *361.2966* 361.2966@1.0788866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1932 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 361.2966 *361.3133* 361.3133@1.0739105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.3133 *361.7521* 361.7521@7.553849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 3474 4298 4217 4216 4129 4622 4658 4334 4768 3427 3219 1998 2274 2077 1623 3307 3444 2418 2718 3200 3193 2555 2259 3456 3841 2997 3062 4027 4361 361.7521 *361.9176* 361.9176@5.707151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1423 1 1 1 1 1 1 1 1 1 1 361.9176 *361.9192* 361.9192@5.8029046 3182 2169 1 1 1 2589 1 2883 2659 1 1 1 1 2194 1 1 1618 4885 2346 1941 1933 1860 2928 1 1801 1 4883 1857 2660 2116 1708 1964 1 1 1 1 1 1 1 2523 2102 1949 1 1958 2885 2940 2324 2284 1 2449 1 1 1 1 1975 1 1 1 1 1 1 2480 2196 1 1 2919 1137 2585 1 2546 1 1 2224 1 1 1 2466 2127 1 2215 1944 1 1 1540 2079 1 1 1 1 1 361.9192 *361.9202* 361.9202@5.6636295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 2187 3263 1 1 1 1 1 1 1 2145 1 1 1 1 1 1 1 1330 1 2544 1 1 1 1 2287 1 3152 1 1 1 1 1 1 3299 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1357 1644 1 1 1 1 1 1 1 1 1 361.9202 *361.9244* C8 H10 O8 S4 80518 80280 78954 79289 80526 80644 80789 80249 84326 83556 83571 82137 81013 83542 84209 84170 80942 80075 82362 85854 86224 86217 85663 86890 79439 82527 84463 83915 79056 79939 84939 83339 85710 86780 83472 84057 80888 84620 87030 87619 88258 88720 83208 81859 85175 86378 82203 84871 87702 89238 117830 117042 104100 101978 98146 97093 91027 92148 91689 89093 116695 112814 89763 89392 105417 103962 103145 104874 87160 89319 130590 129894 89330 89259 98578 98098 119717 119565 118421 117176 126997 125718 119864 120661 124771 124966 119472 120077 103046 103975 361.9244 *362.0855* 362.0855@5.495881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.0855 *362.1166* 362.1166@1.1099403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1738 1 1 1 1 362.1166 *362.1535* 362.1535@1.3157631 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1535 *362.1563* 362.1563@5.983977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1447 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 1 362.1563 *362.2072* 362.2072@1.2553257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 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 3754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 2331 362.2072 *362.2124* 362.2124@2.0954926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 362.2124 *362.2125* 20alpha-Dihydroprednisolone 2273 1 1 1 1 1430 1 1565 1 1 2069 2338 1 1 1 1 2516 2298 1 1 2168 1 1 1 1 1924 3216 2758 1905 1 2164 1972 1 1 2652 2230 2187 2531 1 2362 1 1 2001 1 1 3046 2551 2812 1 2362 2136 2943 1 1 3603 3272 2512 1 6121 5852 3185 2927 2590 1 2610 2445 1 1390 1963 2195 1 1 2120 3055 3670 2689 4013 3450 3573 3117 3628 2522 9305 7946 3442 4083 1725 1 1 1 362.2125 *362.213* 362.213@1.9421213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1105 1 1 1223 1461 1329 2310 3882 1652 1201 1 1 1 1 362.213 *362.2179* C20 H36 Cl2 O 1558 2018 1339 1 1536 1388 2380 1 1 1 1 1 1 1 1286 2205 1 1419 1 1 2397 2280 1756 1660 1 1 1 1 1752 1517 1 2125 1 1 1902 2492 1 1 1 1887 1 1 1855 1 1 1 1169 1 1677 2234 1095 1 1940 1 1 1 1 1471 1 2156 10823 7644 1 2300 2218 1276 1 1 1977 1 1404 1444 2287 1943 1 1269 1 1 1 1 1 1 1 1 2246 2565 1962 2499 1 1 362.2179 *362.2194* 362.2194@1.2073382 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1695 1461 1 1 1589 1 1 1426 1 1 1 1 1 1 1 3848 1 1 1 1 1 1 2549 2255 1 1576 1 1 1 1 1 1 1 1 1 1 2044 1 1 1 2760 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1423 1 1 1803 1 1 1 1 1 1 1 1 1 362.2194 *362.2278* 362.2278@1.738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 1 362.2278 *362.2296* 362.2296@1.6485852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8480 8049 1 1 1 1 1 1 1 1 1 1 362.2296 *362.2351* 362.2351@1.1763539 1 1 1 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 2595 2795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1697 1 1 1 1 1 1 1 1 362.2351 *362.246* 1a,1b-dihomo-PGJ2 3072 1 4549 2789 3912 1 3515 1 3218 3063 1 2177 2313 4237 2561 1 1858 2502 1 2928 4492 1 3782 4362 2124 1 1 2478 1 2770 2433 2751 2845 1 1 1 2290 1 2963 1 1 5458 1714 1 2431 1 1 2374 1 1 3592 2324 1 3830 3127 1 1 2311 2247 2585 1727 1 1 1890 1512 1765 1 1865 2000 1 1 1 1 1 1321 1196 1 1 1 1991 1 4249 1 1 1 1 1 1 1 6795 362.246 *362.2475* 362.2475@1.0345998 1 2729 1 1 1 3520 1 4070 1 1 1590 1 1 1 1 3050 1 1 2020 1 1 4705 1 1 1 1 1597 1324 2243 1 1 1 1 1759 2006 2351 1 2101 1 4168 5576 1 1 1415 1 1 1 1 1 1854 1 1 3122 1 1 1 1926 1 1 1 1 1 1490 1 1 1 1 1 1 1495 1 1 1 1 1 1 1 1 2072 1 4790 1 8979 10172 1 1076 1 1624 5648 1 362.2475 *362.2524* 362.2524@1.0728657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1148 1 1253 1 1364 1 1 1 362.2524 *362.2537* 362.2537@7.555251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 1327 1950 1699 2170 1849 1664 1 2203 2246 1543 1474 1 1 1 1 1293 1394 1 1 1961 1200 1 1 1660 1993 1 1 2149 1825 362.2537 *363.2044* 363.2044@1.2893591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2044 *363.2181* 363.2181@1.2088038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10824 16319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2181 *363.2204* 363.2204@6.6472564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 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 1216 1227 1 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 1 363.2204 *363.2277* 363.2277@1.3065224 7696 8062 2658 3345 1 1 2436 6740 8376 2122 1 6307 2010 2711 1811 2120 1 3899 3085 3337 7366 1556 2608 2160 1563 2318 5755 7433 1 1 2383 7626 2218 2396 3539 2835 6168 4855 2408 2595 2666 2767 2323 2789 11894 9858 2084 2195 1382 7878 2750 1986 2298 1965 3653 4429 1473 1984 2065 2119 1 1 2839 2035 2156 1839 1938 1766 1347 6352 1433 7255 1539 3101 1825 1490 2392 1402 1985 1837 1852 2385 3395 3761 7651 6879 2715 2604 1258 1 363.2277 *363.2294* C22 H34 Cl N O 1 1 11627 11380 3463 4571 6182 1 1 9122 1 1 5962 6124 8811 9512 5055 1 12550 13309 1 8219 11027 10599 8987 8519 2446 3410 1 1 8386 1 8535 8425 9966 9820 1 1 9255 10514 1 1 9519 10263 6866 1 7212 7801 7918 1 8099 8781 7406 6701 1 10707 7384 7311 10681 10300 1 1 10676 9607 8440 8542 6142 1 5544 1 7846 1 8395 9140 7678 6872 4694 4348 9093 1 1 1113 10406 1 1 1 8823 9450 2001 2279 363.2294 *363.2396* 363.2396@1.2149897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13890 13187 1 1 1 1 1 1 1 10782 1 1 1 1 1 1 1 1 11010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9917 1 1 1 1 1 1 363.2396 *363.2492* 363.2492@1.1597344 1 1 1 1 1 1 1 1 1 1 10708 12589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.2492 *363.2625* 363.2625@1.1356624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 2106 14214 13373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 363.2625 *363.2695* 363.2695@1.1733911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2106 1 1 1 1 1 1 1 1 1 1 1 363.2695 *363.2754* 363.2754@1.1681926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1416 1 1 1 1 1 1 363.2754 *363.2811* 363.2811@1.1629752 1 1 2191 1330 1 1 1 1 1 1 3775 4705 1 1 1 1 1 1 1 1 1 1 1 1 2485 1 2954 4405 1 1 1 1 1 1 1 1364 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 1 363.2811 *363.3119* 363.3119@1.114453 1 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 1747 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.3119 *363.3202* 363.3202@1.1116896 1 1 1 1 1 1 1 1 1335 1212 1 1 1 1 1 1 1 1 1630 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 1563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.3202 *363.3306* 363.3306@1.1225853 1 1 1 1 1 1 1866 1860 1 1 1 1 1 1 1 1 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 1589 1 1 1 1 1 1 1 1 1 1 1 1 1852 1932 1 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 2453 2209 1 4506 1 1 1 1 1 1 363.3306 *363.3334* 363.3334@1.1263535 5006 1 1517 1 1 1 1 1 1 1 1 4029 1 1 1 1 1 1 1 1 1 1 1 1 1023 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3799 1 1 1 1 1 1 1 363.3334 *363.3448* 363.3448@1.1306182 1 1 1 1 1 1 1 1 1 1 3519 1 1 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 1 1 1 1 1 1 4681 4509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 363.3448 *364.0866* 364.0866@5.846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 364.0866 *364.1294* 364.1294@1.0372659 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1294 *364.1487* 364.1487@1.5046319 1 1 1 1 1 1 1 1 1 1 1 3056 1 1 1 1 1996 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 1 364.1487 *364.1506* 364.1506@1.5044804 2556 1 1 1 2530 2755 3582 3031 1 2705 2746 1 6726 7677 2918 2453 1 1456 3288 3405 1 1 2865 2767 1 1 3247 3199 2972 3912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1506 *364.151* 364.151@1.9219952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1205 1 1 1 1 1 1 1 1 1 1 364.151 *364.1652* 364.1652@1.1596711 1 1 7379 7661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2329 1 1 1 1 1 1 1 1 1 1 1 4355 1 1 1 3063 1 1 1 1 1 1 1 1 1 1 4269 4156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1652 *364.1657* 364.1657@1.1585095 1 1 1 1 1 1 1 1 1 1 2820 2482 1 1 1 1 1 1 1 1 1 1 1 1 4972 1 1 1 1 1 1 1 1 1 1 1 3066 3172 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 4435 1 1 1228 2905 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 1 364.1657 *364.1714* 364.1714@1.165942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.1714 *364.207* 364.207@1.4176649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 364.207 *364.2326* 364.2326@1.3030605 1 1 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 1464 1 1 1 1 1 1 1 1 1 1 1 1 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.2326 *364.2441* 364.2441@1.2134033 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 1 364.2441 *364.2506* 364.2506@1.2066205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 364.2506 *364.2706* C21 H36 N2 O3 1 3231 1 1 2912 1425 4609 1 3199 1 1 1 1 1 2747 1 1 1 1 1 3428 1 1 1 1 1 1 1 1 1063 1047 1 1 1 3458 1 1 1 2027 2585 1 1 1260 1 1 1002 1 1 4808 5136 6488 2601 1 5003 4528 1 1366 1260 1 4136 1 1 3239 1 1 1520 3115 2821 6344 2199 1208 1 1 5328 1 5383 1083 1090 1 1 1 1 1 7187 1 1287 1 1 1 1 364.2706 *364.2729* 364.2729@5.263115 1 1 1 1 1 2360 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1240 1 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 3465 1 1 1 1 1 1 1 1410 1 1 2311 1 1 1775 1892 1361 1 1 1 1 1 1 1 1 1 4901 1 1 1 1 1 1 1 1719 1 1 1 1 364.2729 *365.0697* 365.0697@2.17236 1 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 1 3768 1 1 1 5793 1 1 1 1 4300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.0697 *365.1468* 365.1468@1.9229944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1412 1 1 1 1 1 1 1 1 1 1 365.1468 *365.2277* 365.2277@1.0417084 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2277 *365.2629* 365.2629@1.0654877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2629 *365.2773* 365.2773@1.2025243 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1462 1422 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1184 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1793 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2773 *365.2833* 365.2833@1.2024118 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 1 1 1 1 1 1 1284 1 1 1 1 1080 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2833 *365.2892* Dihydroceramide C2 2155 2570 1 8365 3151 2867 1 1 2213 1862 20085 23797 1 1 1 1070 1887 1889 1513 1 1609 1832 1871 1916 8153 1 24403 25862 1 1 1 1787 2039 2689 3623 4283 1 17460 1 1 7948 5580 1 1 28810 31568 1659 1 1917 1 1630 1 1 1 8160 8081 1 1248 1 4273 2256 2144 1 1 1617 1 1 1 1593 1 1 2903 1 1642 1 1 1 2076 4824 4672 1 1 7872 8721 1 1 2518 2510 1 1 365.2892 *365.2925* C22 H39 N O3 3671 3558 12271 12931 1 1 1 1 3272 3563 48337 31364 2313 2666 1980 1 1 1 1999 2239 1 1 3552 3344 11714 9575 39772 39231 1 3478 1713 1 1 1 6246 5886 15019 19252 2536 2151 9322 8696 2619 2126 47009 44952 1 1668 1 1 1733 1631 3104 1 11933 14398 1271 1 3122 1 1 2398 1508 1511 1 1 2282 2422 1 1 1 1 1 1995 1 1 1 1704 4850 4745 14962 10977 8607 7924 1 1 3689 3970 1 1673 365.2925 *365.3089* 365.3089@1.172724 1 1 1 1 1 1 27153 23829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.3089 *365.3574* 365.3574@1.0883293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 365.3574 *365.3634* 365.3634@1.0891565 1 1 1463 1132 1 1 1 1 1 1 1466 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1238 1 1 1 1 1 1 1231 1417 1413 2232 1 1 1 1 1 1 1695 1028 1 1 1 1 1015 1 1 1 1 1126 1 1 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 1117 1 1 1044 1 1 1 365.3634 *366.0787* 366.0787@1.528997 1 1 1 1 1 1 18098 18428 1 1 19930 19690 1 1 1 1 1 1 14098 14548 9138 1 1 1 1 1 13648 13320 1 1 1 9403 1 14203 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 12029 11497 1 1413 1 1 1 1 1 2201 1 1 30650 29025 1 1 13803 1 1 1 12599 1372 15532 15518 1 1 1126 1 20926 20821 1 1 10141 1 15087 1 27131 27064 19124 1 1 1 366.0787 *366.0865* 366.0865@1.6340915 1 1 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 1332 1 1 1611 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1027 1 1596 1 1 1 1 1 1 1 1 1 1 1482 1 1 1 1 1 1 1 1 1 1 1733 1677 1 1231 1418 1 4491 1 1 1 1 1 1791 1720 1790 2012 1149 1370 366.0865 *366.1358* C24 H18 N2 O2 3564 3843 3623 3857 4668 5049 4079 3833 3782 3942 3835 3644 3908 2995 3456 3672 4707 4938 3280 3982 3348 3315 3590 3157 5399 4623 1606 3179 4587 2010 3439 3762 3284 2925 4163 4269 4760 4429 2933 2557 3786 2911 4559 1037 3620 3905 3720 3880 2450 2223 1 1 1 1 1 1746 2314 1 2262 2086 1 1 2545 1863 1 1 1 1 3009 2593 1 1 2995 3256 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 366.1358 *366.1371* 366.1371@2.826303 1 1 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 1 1 2600 1 1 1 1 1 1 1 1 1 1 1 1 1 2798 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 1 366.1371 *366.1444* 366.1444@1.4296618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1263 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.1444 *366.1734* 366.1734@3.2400246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8905 8568 1 1 1 1 1 1 1 1 1 1 366.1734 *366.2329* 366.2329@1.2019962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2329 *366.2379* 366.2379@1.1052352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2379 *366.2383* 366.2383@1.1349493 1 1 1 1 1 1 1 1 27315 1 1 1 1 1 1 2500 1 1 1 1 1 5079 1 1 1 1 1 1 1 1 24319 5466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12102 1 1 1 1 1 1 1 1 1 1 1 1 24240 1 1 18224 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 22574 1 1 366.2383 *366.2452* 366.2452@1.174201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2452 *366.2678* 366.2678@1.193804 1 5721 1 1 3690 1138 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 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 1352 1 1 1 1 1 1 1 6401 1 1 1 1 1 1 1 1 1 13656 1 1 1 1 1 1 7937 8587 1 1 366.2678 *366.2858* 366.2858@1.2206514 1 1 3686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2583 2912 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 3034 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 1570 1 1 1 1 1 1 1 366.2858 *367.0122* C21 H5 N O6 3768 3625 3936 3742 3388 3658 3218 3557 4349 4221 3598 3894 3661 4169 4195 3914 3803 3948 3832 3929 4116 3848 3810 4032 3525 3811 3908 3899 3396 3072 4173 3860 4191 3895 3658 3542 3838 3787 4168 4262 4105 4433 3803 3753 4033 3677 3763 3536 3306 3751 4820 5345 4483 4631 4673 4774 4509 4447 3730 3578 6343 6099 5113 4945 5779 5729 6127 5514 4620 4543 6915 6682 4291 4246 5089 5548 6477 6987 6649 6678 6639 6455 6607 6421 6403 7549 5913 6233 5777 5017 367.0122 *367.0984* 367.0984@1.3136693 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 1 1 1 1 1 1 1 1 1 1 1 1 367.0984 *367.2285* 367.2285@1.1677111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9172 8164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2285 *367.2392* 367.2392@0.97308254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1 1 1372 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40436 39496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2392 *367.2763* 367.2763@1.0890709 1223 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 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2934 1 1 1 1 1 1 367.2763 *367.2898* 367.2898@1.1140453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.2898 *367.293* 367.293@1.135962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3537 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 3383 3501 1 1 1 1 1 1 1 3295 1795 1 1 1 1 6925 1 4074 4067 1 1 1 1 1 1 1 3943 1 1 1 1 1 1 1 1 1 1 5452 1526 1 1 1 1 367.293 *367.2989* 367.2989@1.1601439 1 1 1 1 8272 1 1 1 1 1 1 1 1 1 5845 1 1 1 5844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5966 6554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5069 1 3498 1 1 1 1 1 1 1 1 3065 3707 1 1 1 1 3838 1 1 1 1 1 1 1 1 1 1 1 1 1041 1168 367.2989 *367.3006* C12 H37 N11 S 2397 1 3389 1 3718 10762 1 10622 1 1 1 1 6363 9648 3720 5240 4412 4132 3143 9225 4939 1 13867 1 1 1 1 1 4807 11414 4355 4793 3235 5172 3960 3595 1 1 9921 5566 1 1 4329 3391 1 1 4247 3762 2199 1 7603 2971 11113 3264 1 7477 1891 3291 2608 8397 6035 9717 1 5920 1 3364 9458 8620 1 1979 2574 7235 7898 1 1 5989 7654 7131 15230 6086 1 1 1 1 1 1 3695 4568 4966 3742 367.3006 *367.3063* 367.3063@1.1673789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.3063 *367.3085* PGE2alpha dimethyl amine 13179 14048 48851 40302 1 1 1 1 17941 15059 199396 139366 1 1 1 1 1 1 1 1 1 1 1 21157 74223 45904 143012 144268 8200 1 1 1 5523 3054 33203 16485 68838 69617 6992 1 23006 18942 7501 7673 172476 233522 1 1 1 1 1 1 1 6767 68771 68129 1 1 1 1 1 1 1 1 1 1 1 1 11485 12146 1 1 1 1 1 1 1 1 1 1 47689 41233 53528 30908 1 1 10258 10872 1 1 367.3085 *367.4169* 367.4169@2.8027728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 367.4169 *367.417* 367.417@3.9489462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1772 1 1168 1286 2577 1 1 1 1 1 2486 1 1148 2431 1 1 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 367.417 *367.4175* 367.4175@3.8411446 2180 1314 1 2187 2451 1172 2009 2710 1564 1930 1851 1 2322 1 1158 1684 1739 1 1467 2128 1866 1699 1886 1511 3873 1319 8623 9026 1973 1630 2684 2891 1608 1608 2085 1603 1613 2061 1231 2255 1906 2054 1211 1757 3535 2909 2203 2348 2690 2138 1231 4437 1085 3396 2558 2406 6161 6783 2202 2673 1 1 1743 1256 2999 1526 1356 1 1594 1323 2145 1682 1713 1454 1086 1 2132 1 1683 1 1 1 1559 1802 2181 1797 1669 1 2545 2174 367.4175 *367.4176* 367.4176@2.8291476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2248 2336 1 2391 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1 1 2156 1 1 1 1 1 2424 1 1 2313 4768 1288 2063 1 1 1285 1 1 1 367.4176 *367.4182* 367.4182@4.0644307 1671 2343 1 1 1 1 1 2425 2190 1 1 1 1 1 1211 2993 1 1 1 1142 1 1 4988 2576 1 1618 4632 4001 4296 1 1 1 1 3421 1 1 1 2711 1066 1324 1 1 1 1 3869 2217 1401 1 5629 1999 4965 1 3969 1 1 1 1033 2616 2300 5113 1 1 1 1 1 2558 1 1 2720 1 1 1 1 1 1 1 1 1 3219 1 1 1 1 1 1 1 1 1 1 1 367.4182 *367.4189* 367.4189@4.0414686 1 1 1 1 1 1 1 1 1 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 1658 1 1 1 1 1016 2432 1094 1 1943 1 1 1 1 1 1 1 1190 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 1 367.4189 *368.1073* 368.1073@1.7710918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 368.1073 *368.1457* 368.1457@1.1978333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19275 20689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1457 *368.1457* 368.1457@1.2836285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16798 15294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1457 *368.1482* 368.1482@2.0684288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 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 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1331 1 6135 5430 1 1836 1 1335 1 1 1 1 1 1550 368.1482 *368.1591* 368.1591@1.5104563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 41184 4489 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1591 *368.1592* 368.1592@1.6597328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1592 *368.1615* 368.1615@1.2546165 2567 2330 1 1 1 1 1 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 1303 1 1 1 1 2887 3612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1271 1 14770 13631 1 1 1 1 1 1 2912 2301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1497 1 1 1 1 368.1615 *368.1647* 368.1647@1.1484852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1647 *368.1653* 368.1653@1.9349906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1395 1 1 1 1 1 1 1 1 1 1 368.1653 *368.1764* 368.1764@1.0676484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.1764 *368.1799* C23 H28 O2 S 4274 1 5089 6182 6609 6522 1409 4275 7294 7582 5193 4799 5865 1717 1 5381 5620 6586 5110 6237 2180 1 1 4818 5466 5566 10571 8561 6200 1809 7088 9717 8819 2038 4800 5377 5271 4784 4932 5953 9207 9919 6414 7086 6265 2476 5964 5867 5594 6779 2537 7559 6005 6228 8455 1 3226 1117 8334 2579 2419 8224 1 7888 1 8340 1 1699 8529 7604 5916 1912 4044 5820 3966 4101 5225 4777 1 4455 5624 5247 8063 1663 2851 3099 7037 5438 4887 1834 368.1799 *368.184* 368.184@2.1673632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5473 5154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.184 *368.189* 368.189@1.0785092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 368.189 *368.2561* 368.2561@1.152749 1 1 1 1 6884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7244 7207 7107 1 1 1 1 1 1 1 1 7352 8001 1 5824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4371 5766 1 7283 1 1 1 1 3730 3944 6155 1 1 1 1 7056 6019 1 1 1 6014 5835 7456 6450 1 1 5099 4971 1 1 1 1 1 1 1 1 4682 5182 1 1 6395 1 368.2561 *368.257* Allocortol 3848 3114 3986 1 1 7011 4046 6605 5056 6445 1 1 7320 7227 8124 6890 7030 6894 6642 1 1 1 6844 6834 1 1 1 1 6638 6445 1 1 5874 1200 4556 3462 1 1 4644 4926 1 1 4890 5799 1 1 4781 4677 1 1 6714 1 6694 7230 1 1 1 1 1 6548 5516 5041 6055 1 1 5719 5105 4739 1 1 1 1 5468 6228 1 1 5822 5801 4596 7134 1 1 1 1 1 1 5592 6787 1 6547 368.257 *368.2715* 368.2715@1.1678009 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.2715 *368.285* 368.285@1.132012 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3334 1 1 1 1 1 1 1 368.285 *368.2908* 368.2908@1.1501976 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 8898 5240 1 1 1 1 1 1 1 1 1 1 1 1 3295 1 1 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 1 8610 1 1 1 1 1 1 368.2908 *368.3023* 368.3023@1.1863401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.3023 *368.3087* 368.3087@1.1369537 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 1624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.3087 *368.3778* 368.3778@4.3294387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 368.3778 *369.0282* 369.0282@1.6201066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 369.0282 *369.0799* 369.0799@1.1389161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7482 7214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.0799 *369.1458* 7-Desmethylprazosin 2606 2218 3055 2834 1 1 2138 2458 3223 2615 2149 1927 2840 3345 1677 1789 1706 1782 11567 6982 1661 1549 2025 1984 2131 2293 3897 3706 1 1 10855 5024 1 1 1653 1521 2520 2493 3392 3216 2230 2000 1 1 1677 1575 2989 2632 1977 1815 2998 3034 2762 2719 2183 1914 2969 3046 2586 2331 4540 4934 2695 2759 4199 4034 5380 5306 4339 4677 5555 5422 1 1275 1827 1983 5209 5111 24329 23415 6787 6229 6311 6755 4695 4559 4719 4658 8070 8216 369.1458 *369.1507* 369.1507@1.3705322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5526 5054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.1507 *369.1516* 369.1516@2.0658433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 369.1516 *369.1592* 369.1592@1.9349813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 369.1592 *369.2026* 369.2026@1.0668857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 369.2026 *369.2884* C22 H35 N5 3029 3193 31583 30372 10016 9078 6948 1 7111 7261 5869 4663 8086 8770 7822 8968 8580 8833 9613 9419 6703 6864 7425 5571 12536 11785 7288 8136 9419 8402 30333 28821 8939 7727 4407 4319 3170 6724 1 5439 9044 8919 6715 6592 26171 25705 5894 5111 9764 10336 7470 8582 7781 8489 6255 6685 2740 2914 6943 7219 9858 10880 14756 15602 7578 8350 6819 6311 25275 27637 12904 13437 5915 6278 4933 1 17842 19857 11307 6403 17342 17908 12079 12367 1 3334 5420 6324 9151 12177 369.2884 *369.3135* 369.3135@1.1842868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4616 1 1 1 1 1 1 1 1 1 6325 3800 1 1 1 1 369.3135 *369.3206* 369.3206@2.043316 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 369.3206 *369.3224* 369.3224@3.8555894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 369.3224 *369.3233* 369.3233@2.8582525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 369.3233 *369.3239* C18 H39 N7 O 16037 11305 36043 46921 8289 9127 24672 18518 12153 12269 109690 152123 7685 9132 9718 7034 8227 8215 11178 6849 7615 10277 21594 15058 50702 41780 106842 107955 16963 19436 10067 7006 12114 7111 24215 23495 60712 74287 8073 11347 57066 75065 13612 9457 170295 137227 5106 5259 5318 3919 9967 7155 17036 18182 74722 63065 1 1 15418 10837 14310 13303 1 12040 8742 9684 9223 8937 32121 51403 6224 6097 9485 9445 1 3253 7686 8582 40122 41792 51834 50803 76618 55353 1 1 25309 25726 6096 4324 369.3239 *370.0251* 370.0251@2.1758728 1 1 1 1 1 1 1 1 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 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 1 370.0251 *370.0255* 370.0255@1.6280578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4194 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 2693 1 1 1 1 370.0255 *370.026* C25 H6 O4 3690 3481 4265 3951 3418 3466 4210 4470 6274 5907 4525 4629 5269 5115 5288 6005 3512 3462 5027 5044 3404 3756 5236 6143 3950 3689 8001 7300 3828 3726 6351 5836 4428 4154 3980 4547 3952 4562 4217 4579 5611 6745 5853 6248 5051 4672 5548 5462 5563 5193 5306 8810 5160 5352 5061 5559 6706 7377 1844 1884 5232 5522 4448 4189 4071 4046 5813 5696 5337 5317 4793 4534 6853 7688 6150 3594 6651 6232 4098 4316 3951 4398 6646 5782 7915 4650 6993 7786 4502 4727 370.026 *370.0948* 370.0948@1.0280573 1 1 1656 3278 1 1 1 1 2385 3445 1 1 1 1244 1 1 1 1 1 1 1 1564 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 2261 1 1742 1 2690 2072 1 1 1 1 1 1 1 1 1 1239 6099 1 1 1 1 1 1 1 1 1205 1297 1 1 1 2020 1866 2025 1 1 1 1 1 1 1 1 1 1 370.0948 *370.1008* 370.1008@1.735932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1008 *370.127* 370.127@1.5077921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2477 6846 6997 1 1 1 1 1 1 1837 1641 1 1 370.127 *370.1415* 370.1415@1.503599 1 1 1 1 1 1 3153 3943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1415 *370.1525* 370.1525@1.5076226 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1525 *370.1563* Ser Arg Ser 2989 2698 1 2782 1262 1 2091 1829 3372 2976 2930 2932 3142 2612 3058 3508 2188 2274 1 3715 1 2008 1924 1831 1 2272 3081 3373 1 1532 1 3062 1 1 2318 1 1 2430 2847 2591 2363 2175 1200 1 2330 2884 2781 1 2297 1831 2608 2429 3651 1 2748 1 1 2334 2580 2360 3983 4146 1 1476 4258 3767 2835 3298 4207 4647 5077 5618 1 1 1807 2243 3376 3667 1 1 4002 3577 1 1 3204 2986 2712 2779 1 1 370.1563 *370.1583* 370.1583@1.4459953 1 1 1 1 1 1 1 1219 1 1 1 1 2093 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1583 *370.1661* 370.1661@3.30116 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1746 1 1 1 1 1 1 1 1 1 1635 1 370.1661 *370.1768* 370.1768@1.205268 1356 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 1862 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6021 1 1 1 1 1 1 1790 2153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.1768 *370.1888* 370.1888@4.31631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 6516 1 1 1 1 1 1 1 1 370.1888 *370.19* 370.19@4.3183384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6361 1991 1 1 1 1 1 1 1 1 370.19 *370.2111* 370.2111@1.0523914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2111 *370.218* 370.218@1.0333098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.218 *370.219* 370.219@3.5408604 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.219 *370.2202* C16 H34 O9 1 73734 305078 302046 212085 208755 148017 150324 148928 148892 117319 120781 406161 403411 2803 61669 1586739 1586415 141427 140715 1 39930 57158 54823 167335 164783 255917 256554 240242 246059 226281 224729 1 1 92557 92326 138767 135702 87873 92025 103529 104376 209206 208363 281117 281449 140058 140904 83925 86104 1 1 126769 128878 62913 1542 2974 2922 71449 70471 201548 228596 99202 2586 135945 133650 1 1 271377 270159 221454 222558 2300 72082 1724 63713 203369 207341 778774 783746 3536 1588 1 1 93575 94212 2673 1 70924 3042 370.2202 *370.224* 370.224@1.0312828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 1 1 1 1895 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 1 370.224 *370.2257* 370.2257@5.2525754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2257 *370.2322* 370.2322@5.222555 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 1917 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 1638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2322 *370.2585* 370.2585@1.2063327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 370.2585 *370.2856* 370.2856@4.4679966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4421 5236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.2856 *370.2899* 370.2899@1.171398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2966 1 3279 3622 3925 2764 3640 2898 1 1 1 1 1 1 1 1 3097 4310 2269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3836 3879 1 1 1 1 1 1 1 2397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 1 1 1 1 370.2899 *370.2949* 370.2949@1.1669021 1 1 1 1 1 1 1 1 1 1 1 1 2931 1850 1 3082 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 3555 1 1 1 2939 1 1 3588 2471 1 1 1 1 1 1 3216 3805 1 1 1 4135 3342 3173 1 1 1 1 2835 3102 1 1 2194 2391 1 1 1 1 1 1 1 1 2582 1 1 1 4660 2375 370.2949 *370.2994* 370.2994@1.1592597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 370.2994 *370.3068* 370.3068@0.9165914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1 370.3068 *370.3079* 370.3079@2.148406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2309 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1092 1584 1 1 1 1 1314 1562 1 2625 1 1282 2117 1640 1 1 1 2364 1 3413 1 1 1 1 1 370.3079 *370.3087* 370.3087@1.1663632 1 3671 1 1 3807 2272 4958 2421 3543 3307 1 1 1 1227 1 1 1 1417 1 1 1 1 4320 4233 1 1 1 1 4404 3485 1 1 1 1 1 1 1 1 2890 2063 1 1 1 1 1 1 1 1 1 1 1 1 5300 3786 1 1 1 1 1 1 4816 3778 3321 1 1 1 1 1 1 1 1 1 3588 3079 1 1 2923 3011 1 3634 1 1 1 1 1 1 1 1 1 1 370.3087 *370.3088* 370.3088@2.9179473 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 3255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 2277 1 1 1 1878 1 1 1 1 1 1 2118 1 1 1 3372 1 1 1 1 3472 3526 1 3400 1 1 2386 1 6409 8485 2558 4568 1 1 4287 1 3638 370.3088 *370.3088* 370.3088@2.9887137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3703 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3088 *370.3098* 370.3098@1.6691588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 370.3098 *370.3105* 370.3105@2.2595286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 370.3105 *370.3182* 370.3182@5.2018623 1 1 2171 1 1 1354 1 1 1 1 1 1945 1 1 1061 1 1 1 5298 3545 1 1 1 1 1 1 1660 1 1 1 1893 1 1 1 1 4923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 2476 1 1 3194 1 1690 2952 1 1 1 2740 6862 8742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1766 1 1 1 5082 1 1 1 1 1 370.3182 *370.3202* 370.3202@1.2058071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10019 11083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 370.3202 *370.3551* 370.3551@4.258677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8075 7923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3551 *370.3563* 370.3563@4.4936333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62269 61047 1 1 1 1 1 1 37608 36230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 370.3563 *371.06* 371.06@5.834556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1139 371.06 *371.0604* 371.0604@5.67566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2316 2446 371.0604 *371.0695* 371.0695@1.5759854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1043 1 1 1211 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1654 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1240 1139 1 1 1 1 371.0695 *371.1604* Diethylpropion (metabolite XI Glucuronide) 5272 5056 3492 3824 1 1 1580 1428 5591 4948 3224 2945 3602 4011 8172 7514 3365 3556 4380 3972 2811 3311 4760 4082 3494 3809 4943 4524 2361 2793 1 3332 1 1 1767 2067 4222 4824 4338 3535 2734 1960 1 1 3418 3470 3361 3694 3865 3356 5630 4664 6063 6054 5766 5633 2961 2915 3165 2849 6962 7769 2450 2226 4674 4705 4055 3348 5908 6258 10423 11587 1 1 2642 2511 6451 6879 4969 5044 7543 8156 1585 2050 3828 3289 5039 4603 4320 3646 371.1604 *371.1614* 371.1614@2.2947288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 371.1614 *371.1795* 371.1795@1.2624036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30545 29080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1795 *371.18* 371.18@6.810146 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.18 *371.1854* 371.1854@4.307827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1854 *371.1913* 371.1913@2.3264675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1913 *371.2103* 371.2103@1.0814598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 2040 1 1 1 1 1 1 1 1 371.2103 *371.2165* Gln Pro Lys 1 1 11152 10755 1832 1 2086 1875 1452 1468 1 1 2242 2051 1 1 1 1 1 1935 1 1 1 1 3054 2629 1 1 1 1 5548 6652 1 1 1 1 1 1160 1 1 1 1 1 1 8339 8390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2780 3013 1 1 3070 2725 1 1 5960 9674 2370 2546 1 1 1 1 5829 6242 1 1 1 1 1 1 1 1 1 1 1 1 371.2165 *371.2169* 371.2169@1.8826041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 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 1 371.2169 *371.2172* 371.2172@1.9263268 1 1 1 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 1932 2350 1 1 1 1 1 1 1 1 1 1 1 1 1811 3182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3245 1 1 1 1 1 1 1 3459 2367 1 1 1 1 1 1 1 1 1 1 1 1 371.2172 *371.2676* 371.2676@1.1470644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4851 4232 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 1 1 4331 4867 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.2676 *371.2832* 371.2832@1.1590067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.2832 *371.2909* 371.2909@1.1366986 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 1 1 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.2909 *371.2957* 371.2957@1.14871 1 1 1 1 1 1 1 1 1 1 1255 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 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 1 1 1 1 371.2957 *371.3087* 371.3087@1.1488088 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.3087 *371.3239* 371.3239@1.2001281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.3239 *371.3356* C18 H41 N7 O 3817 5744 13465 14503 2378 4341 7620 9754 5988 6041 43271 36756 5192 4837 2306 2244 4044 1652 5066 5031 2572 4017 8690 7871 18075 16087 49606 49930 5481 5634 3665 2730 2164 2101 9979 9140 1 29999 5031 3224 26606 25222 3061 3510 56123 1 1 2070 1 1 4382 3856 5049 5596 24841 25898 1 1 2463 2507 7206 10552 3312 2901 5129 2471 5060 4174 5202 1 2061 3425 5927 5645 1 1 4690 4938 4582 5084 30504 30246 24972 26751 1 1 10984 12522 1586 3396 371.3356 *371.3404* 371.3404@4.100559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20696 22626 6264 7453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.3404 *372.0415* C12 H13 Cl N6 O4 S 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 2763 2393 2582 2532 1 1285 1448 1474 1 1 1133 1 1 1 1 1 1397 1572 1 1 1 1 1 1 1 1 1 1 1 1 1427 1451 2268 1672 1695 1408 1 2219 1500 1735 2226 2212 1 1 1862 1 1 1 1 1 1 1 1 1 1881 1718 1605 1 1 1 372.0415 *372.0553* SUCCINYLSULFATHIAZOLE 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4318 3420 4517 1645 2371 3729 1 1 1 1 4709 1 1 1 5715 2659 2284 2336 1 1 3074 2176 1 1 2109 2002 4600 3012 3263 4205 5437 2926 4711 3995 7177 2454 7240 5367 4384 2328 C11745 372.0553 *372.0562* 372.0562@2.8918679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.0562 *372.1068* 372.1068@1.9401935 1 1188 2005 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1420 1 1 1 1 1263 1029 1 1 1 1 1 1 2323 1062 1 1 1293 1 1 1388 1 1 1 1 1 1816 1 1 1 1 1 2086 1 1 1 1136 1364 1348 1 2783 1048 1 1 3038 1 1 1 1 2661 1 1314 1 1 1 1 1211 1 1 1349 1 1 1 1232 1365 1 1 2358 1 372.1068 *372.108* 372.108@1.9415048 1159 1 1 1 1113 1 1399 1682 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1005 1356 1 1 1 1 1 1 2397 1266 1 1 1 1 1070 1133 1 1503 1360 1 1 1 1 1 1516 1 1 1 1 1 1014 1 1 1 1014 1 1 1 3025 1 1 1 3437 1 1 1 1 1035 1 2657 1 1099 1 1 1 1 2667 2359 1 1032 1327 1 1 1 1 1 1 3423 372.108 *372.1149* 372.1149@1.3479923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5867 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1149 *372.1154* 372.1154@1.2164066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 185468 188279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1154 *372.1512* 372.1512@4.2286787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42209 43320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1512 *372.1714* 372.1714@2.0355234 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1714 *372.1714* 372.1714@2.9042423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5134 4537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1714 *372.1742* 372.1742@2.310276 1 1 1 1 1 1 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 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 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 1 1 1 1 1 1 1 1 1 1 1 372.1742 *372.1765* 372.1765@1.207087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 372.1765 *372.18* 372.18@1.1773894 1 1 1 1 1 1 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 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1620 1 1571 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 1084 1 1 1 1 1 1 1 1 1 372.18 *372.1942* 372.1942@0.9422684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11541 4523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.1942 *372.2641* 372.2641@1.1749154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2641 *372.2776* 372.2776@1.2170177 1 1 1 1 1 1 1 1 10934 11832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2776 *372.2861* 372.2861@1.1133404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 372.2861 *372.2879* C22 H36 N4 O 48997 55665 67595 66662 95341 105562 92863 93925 92574 94184 52625 90302 137785 135845 109930 108676 109614 113648 99701 99833 85535 87523 92094 98819 77094 79746 77058 76555 124136 120726 100971 89139 88059 89178 67937 65938 58664 60383 68589 68405 89067 80185 87667 89480 58122 57059 54293 51240 65588 65193 96687 98957 106001 104728 74055 77660 24340 24913 65912 75252 88036 90715 109434 112605 72353 70996 71978 65722 98413 96883 102407 109011 84194 81810 56187 54429 90715 95419 81190 84006 81341 89247 125795 124284 9870 25232 75179 78049 53586 58223 372.2879 *372.3264* 372.3264@1.1975684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1394 1 1 372.3264 *372.3437* 372.3437@1.2114217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1601 1672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.3437 *373.0451* 373.0451@0.8433013 1 1 1 1 2016 2534 1 1 1 1 1 1 1 1 1 1 1 17014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.0451 *373.1039* Asp His Cys 2348 2274 1698 1590 1858 1932 3278 3032 2028 2276 1035 1106 1 1 1 1 1278 1302 1616 1430 2335 2191 2178 2020 1635 1791 2209 2439 1 1 3405 2510 1386 1412 4003 3070 2046 4088 2666 4348 4628 4062 1585 1734 1272 1216 2335 2682 1 1169 1889 2586 2720 2366 1819 2038 2678 2273 5371 5070 5610 3975 3593 2138 1 4040 1419 1559 1743 1535 7468 2919 2305 2507 5698 2491 3500 3119 1 1 2307 2233 2353 2132 1 2617 2173 1949 5472 5389 373.1039 *373.1123* 373.1123@1.9459738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7713 1 1 1 1 1 1 1 1 1 1 1 373.1123 *373.2127* 373.2127@1.0493054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 3300 1 1 1 1 1 1 2800 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6059 6281 1 1 1 1 1 1 3298 2202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.2127 *373.2211* 373.2211@1.0509776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.2211 *373.2301* 373.2301@2.409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 373.2301 *373.2314* 373.2314@3.8083367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9650 10406 1 1 1 1 1 1 1 1 1 1 373.2314 *373.2318* 373.2318@2.4877946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2535 1 1 1 1 1 1 1 1 1 1 373.2318 *373.29* 373.29@1.1067904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8252 1 1 1 1 1 1 1 1 1 1 1 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 5230 1 373.29 *373.2961* 373.2961@1.1216881 5649 1 1 1 12053 1 1 1 1 1 5885 1 1 1 1 1 1 1 1 1 1 1 1 1 15769 1 1 10116 1 1 1 1 1 1 14245 1 1 1 9108 9818 9295 21837 1 1 1 1 1 1 1 1 1 1 1 1 1 25501 1 1 8274 1 1 1 1 1 1 1 1 6672 1 1 1 1 1 1 1 1 1 1 1 1 20545 1 29246 29081 1 1 13373 1 1 1 373.2961 *373.3207* 373.3207@4.244275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 373.3207 *373.3228* 373.3228@1.1977477 1 1 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 3695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.3228 *373.3323* 373.3323@3.8588767 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.3323 *373.3337* 373.3337@3.781524 1 1 1 1 1 1 1 1 6305 9589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 373.3337 *373.3551* 373.3551@3.989519 1 1 1 1 1 1 1 1 1 1 4392 4355 1 1 1 1 1 1 1 1 1 1 1 1 1546 1397 2757 2398 1 1 1 1 1 1 1 1 4386 2873 1 1 1252 1111 1 1 6628 6586 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 2267 2137 1 1 1 1 1 1 373.3551 *373.3556* 373.3556@3.9922957 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 373.3556 *374.042* 374.042@2.2044 1 1 1 1 1 1 1 1 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 2511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.042 *374.0591* 374.0591@2.9175804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 374.0591 *374.0597* 374.0597@2.9288144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3035 1 1 1 1 1 1 1 1 1 1 1 1 1 2132 6205 5731 1 1 1 1 1 1 1586 1948 1 1 1 1 1 1 1 1 1 2599 1 2358 1 1494 374.0597 *374.0811* 374.0811@1.4715977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1392 1 1 1 1 374.0811 *374.1006* 374.1006@2.0460634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2380 1 1 1 1 1 1 1 1 1 1 374.1006 *374.1174* 374.1174@1.9459865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10102 9888 1 1 1 1 1 1 1 1 1 1 374.1174 *374.17* 374.17@2.0717695 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.17 *374.176* 374.176@4.122593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9797 9478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.176 *374.2003* C24 H26 N2 O2 1654 2032 1 1 1502 1 1 1163 1797 1513 1 1 1 1375 1 1598 1536 1580 1751 1884 1623 1 2983 3366 1 1 1 1 1602 1665 5417 4101 3251 3615 4555 4459 2730 2499 1839 2090 1360 1 2015 1803 1 1 2221 2705 2474 2147 2777 2573 3334 2733 1758 1 3866 3763 1695 1 1 1 1 1529 1 1801 1707 2373 3029 3494 1 1 2344 2351 2778 2584 1 1 2337 2566 1414 1 1 1 2040 2102 2296 2271 3575 3854 374.2003 *374.2077* 374.2077@1.2392216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 2425 1 1 5359 4657 1 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2616 2883 1 1 1 1 1 1 1 1 1 1 374.2077 *374.2211* 374.2211@1.2050773 2360 1 1 1 1 1 1 1 1 1 1 1 1206 1 1 1 1 1 1 1 2012 1 5432 4757 1 1 1 1 4927 3334 1 2693 1 1 1 6177 1 1 1508 3314 1 1 1 1 1 1 1 1 1 1 2975 5590 1 1075 37824 1 1 5608 1 15100 1 1 1 1 1 1 1 1 1 1 1 1 15353 14771 6116 1 1 1 3554 2012 1 1 1 1 1076 1 1 10274 1 1 374.2211 *374.2213* 374.2213@1.2069634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2213 *374.2234* 374.2234@1.205874 1 1 1 1 6114 5985 1 4537 1 1019 3229 2635 1 1 1543 1 8220 9105 2421 2446 1 3592 1 1 4615 4500 1143 2465 1 1 1 1 3882 4127 12051 1 10646 10813 1 1 7843 8280 9474 8242 1386 2563 2775 2120 1 2054 1 1 1 1 1 1 5345 1 13784 1 2179 4270 1902 1 7052 6499 3297 4824 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 1828 1 1 1 11045 1 1 2960 374.2234 *374.2349* 374.2349@1.2063068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 374.2349 *374.2536* 374.2536@1.3006196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2536 *374.2624* 374.2624@1.0815675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2624 *374.2688* 374.2688@1.0962324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 374.2688 *374.2889* 374.2889@1.1199998 1 1 1 1 1 1 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 2847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 1 1 1 1 1 374.2889 *374.2948* 374.2948@1.1246525 1 1 1 1 1 1761 1 2602 2749 2719 1 1 1 1976 1665 2732 1 1 2270 1 1459 1 1 3172 1 1 1 1 1 3641 1 1618 1 2280 1 1 1 1 1 1 4647 1 1832 2513 1 1 1 1 1 1 2631 2632 3449 3318 1 1 1 1 1 1 1 1 1781 1 1995 1342 1 1 1347 1314 2554 1513 2470 2326 1 1 2713 1 1 1 1 1 1 1 1 1 1 3183 1 1 374.2948 *375.1754* 375.1754@2.0688763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.1754 *375.1816* 375.1816@1.0592027 2712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.1816 *375.1844* 375.1844@2.079386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1715 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 1 375.1844 *375.2244* 375.2244@1.2082498 1 1 1 1908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1401 1 1 1 1 1240 2052 1 1 1 1 1 1 1 1 1 1 1 1 1978 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 1234 1 1142 1 1 1 1 1 1 1 1 1 1 1 375.2244 *375.2301* 375.2301@1.0603741 1 1 1 1278 1 1 1 1 1 1 1482 1 1 1 1 2322 1070 1 1 1 1 1 1 1 1 1 1 1208 1 1 1 1 1003 1124 1 1089 1 1 3118 1236 3594 4005 1186 1 1 2241 1 1 8191 7726 1 1 1 1 1173 1 1 1 1155 1189 11570 9298 1066 1 1 1 1427 1771 1 1 1 1 1 1 1063 1 1 1 1054 1 1 1 1 1 1 1 1 1490 1 1 375.2301 *375.2421* 375.2421@6.3281384 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.2421 *375.2491* 375.2491@1.0407512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.2491 *375.2593* 375.2593@1.0306177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 375.2593 *375.3025* 375.3025@1.172333 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 375.3025 *375.3119* N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine 8373 8148 26607 25644 1 14751 17197 19179 15178 13779 74042 71683 12548 11522 6285 5588 11330 1 7561 1 1 1 21185 21268 22091 23147 46925 45448 15442 1 7529 7529 8761 1 23224 22426 44251 44991 13657 1 47764 46288 13798 13837 56916 54147 5441 8080 1 1 1 1 17762 18085 39689 34828 1956 1 10697 12166 16261 17038 8547 7755 6541 5699 11007 10772 6752 6224 7366 1 13096 12305 3629 2909 9176 9979 9498 8064 42918 43448 53397 59909 2365 1749 23037 26158 8835 8974 375.3119 *375.3149* 375.3149@1.1496753 1 1 1 1 15558 1 1 1 1 1 1 1 1 1 1 1 1 10723 1 7508 7058 5458 1 1 1 1 1 1 1 14184 1 1 1 6666 1 1 1 1 1 15996 1 1 1 1 1 1 1 1 4264 4139 8053 7309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.3149 *375.3337* 375.3337@2.2409372 1 1 1 1 1178 1 2818 1 1 1 1 1 3152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4276 1 2025 1 4388 1 1191 1 1 1 1 1505 1 1 1 1 1 1275 2384 1 1 1 1105 1 1 1 1878 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 1 375.3337 *375.3343* 375.3343@2.517988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 375.3343 *375.3344* 375.3344@2.4062085 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 1 1 1 1615 1 2626 1 1 1 1 4210 1 1 1 1 1 1559 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 1 375.3344 *375.3345* 375.3345@2.553011 1 1 1 1 1516 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2413 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 1 1 1 1 1 1 1 1 1 1 1940 1 375.3345 *375.3346* 375.3346@1.0977547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15641 1 1 1 1 1 1 1 375.3346 *375.3347* 375.3347@2.4588797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.3347 *375.3348* 375.3348@2.0393474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1741 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 1 375.3348 *375.335* 375.335@2.864059 1 1 1 1 1 1265 1 1 2429 1 1 1 1 2610 1 1 1 1 1 1 1 1 1863 1 1 1 1 2021 1 1 1 1 1 1 1 1 1 1590 1 1 1886 1 1 1509 1 1 1 1 1 1 3187 4907 1065 1 1 1 1 1462 1 3054 1 1 1 1 2030 2074 1 1386 1 1 2598 1 1 1 1 1 1532 1 1 2013 3383 1 1 1 1 1 4801 1 1 1 375.335 *375.3351* 375.3351@2.3112843 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 1381 1 2802 1 1 1 1 1245 1 1 1 1 1 4865 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 1 1 1 1 1618 1 1 375.3351 *375.3491* 375.3491@3.9085922 1 1 1 1 1 1 1 1 7674 4856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.3491 *375.3496* 375.3496@3.8373866 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 375.3496 *375.9415* C9 H4 N4 O9 S2 7195 7144 6793 7306 8149 6953 6942 7806 7054 7883 7382 7806 6943 8290 7609 8195 6707 7234 7213 7727 8617 8034 7710 7781 7236 7398 7128 8317 7142 7134 7551 7428 7512 7809 7524 8105 6953 7415 8603 7822 8072 8229 7334 7881 8138 8094 7366 7392 7530 8206 12308 12840 10087 10853 9531 9519 8938 9131 8391 9224 13005 11745 8809 8745 10869 10624 10408 10655 7846 8139 15005 14933 8366 8322 9000 9555 13905 14163 13196 13470 13635 14178 12939 13615 14347 14208 13109 13130 10538 11253 375.9415 *376.1122* 376.1122@2.9931407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 376.1122 *376.1183* 376.1183@2.0407238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1183 *376.1469* 376.1469@1.2198961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3398 3133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.1469 *376.2042* 376.2042@3.3466768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2042 *376.2198* 376.2198@1.923534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3419 1 1 1 1 1 1447 2563 1 1 1 1 1 1 1139 1535 1 1 1 1 1 2330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2198 *376.2198* 376.2198@0.82955843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2198 *376.2205* 376.2205@1.0724342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 376.2205 *376.2212* 376.2212@2.9325488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2212 *376.2213* 376.2213@2.2808464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 376.2213 *376.2215* 376.2215@2.9245737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7055 1 1 3592 1211 1 1 2354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2215 *376.2216* 376.2216@3.6674562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2216 *376.2218* 376.2218@0.60844785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2218 *376.2223* 376.2223@2.9834697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2223 *376.2226* 376.2226@1.4584281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 376.2226 *376.2228* 376.2228@1.8828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 376.2228 *376.2234* 376.2234@1.0726397 1 1825 1723 2253 1 1 2701 1 1 1 1 2116 1 1 1 1 1 1 2389 1 3221 1 1 1 3107 1 3249 2687 1 1 1 1253 3699 2492 2891 1 1 1 1 1060 1 1 1 1 1 3176 3094 4286 1 1 1 1 1 1 1 1 1 1 4880 1 1 1 1 5049 1 1044 2282 2110 1892 1 1 1 1 1 1 1 1 1 1 2174 1 1 2810 1 1 1 1 1292 1 1 376.2234 *376.2279* 376.2279@4.0647545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20288 19584 376.2279 *376.2391* 376.2391@1.2065508 1 1 1 1540 1 1 1347 1342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1490 1461 4213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.2391 *376.3006* 376.3006@1.1838408 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 1 1069 1 1 1 1 1 1 376.3006 *376.3098* 376.3098@4.4397297 1 1 1 1 1 1028 1 1 1 1102 1 1 1 1 1267 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1443 1474 1 1 1 1 1 1258 1313 1829 1 1 1 1 1 1169 1563 1328 1 1322 1 1 1 1064 1 1 1471 1 1 1 1 1 1164 1433 1174 1172 1058 1170 1 1 1 1260 1 1 1 1 1353 1 1 1 1181 1423 1 1 1 1 1 1 376.3098 *376.3208* 376.3208@1.1354856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 376.3208 *377.0617* C15 H23 N O2 S4 4996 5190 3959 3724 4406 5049 5336 5216 4952 5160 3143 2963 1402 1387 2549 2418 3084 2829 2628 2487 3793 3464 3307 2900 3489 3451 2876 2768 1 1 6111 6028 3997 4091 6548 6322 7995 8307 7168 7896 5700 5667 5146 4278 3685 3066 7083 6936 1612 1631 3743 3082 6591 6074 3489 3598 5306 5036 6952 6186 7618 8357 7151 7069 8280 8013 2801 2925 5223 5301 9191 9243 6268 6187 7694 7474 5677 5999 5619 5991 5694 5231 4297 4882 7617 7778 3386 3805 7192 8001 377.0617 *377.1038* 377.1038@1.3564725 1 1 6341 6795 1 1 1 1 1 1 1 1 1 1 1 1 1043 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 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 1 377.1038 *377.105* 377.105@1.2078058 1 1 4477 5186 1 1 1 1 1 1 1 1 1 1 1 1 1318 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 2194 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 1 377.105 *377.1112* 377.1112@1.204148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 377.1112 *377.1545* 377.1545@2.144628 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 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 4659 1 1 1 1 1 1 1 1 1 1 377.1545 *377.1553* 377.1553@2.1828086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 377.1553 *377.2121* 377.2121@1.1955813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1208 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2121 *377.2195* 377.2195@1.1955714 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 1143 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 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2195 *377.2267* 377.2267@1.1964865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 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 1 377.2267 *377.237* 377.237@1.1683621 1207 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 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 1769 1 1 1 1 1 1921 1 1 1 1 1 377.237 *377.2493* 377.2493@1.2019348 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1601 1 1 1 1 1 1 1 1 2698 4145 1 1 1188 1437 1 1 3538 3202 1 1 1 1 1 1 1 1 2955 1 1 1 1 1 1 1 1 1 1 1 2810 2763 1 1 1 1 1 1 1 1 1 1810 1 2120 1615 1 1 1 1 1 2487 1257 1 1 377.2493 *377.2519* 377.2519@1.2110776 1 1 1 1 1 1 1 1 1 1 1894 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2519 *377.2601* 377.2601@4.015353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4597 4141 1 1 4480 4356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2601 *377.2823* 377.2823@1.1619679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2823 *377.2935* 377.2935@1.1528525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1 1 1 1 1 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 1 377.2935 *377.3348* 377.3348@1.103074 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.3348 *377.8957* C9 H3 Cl N4 O5 S3 2225 1935 1690 2018 1935 1563 1945 1 1862 1926 1944 1970 2046 1948 1829 2055 1737 1825 1917 2275 2060 1977 1842 2143 1852 1733 1902 1904 1819 1818 2061 2304 2394 2228 1738 2005 2079 2152 1927 2204 2134 2228 2014 2082 1968 2166 1942 2149 2377 2337 3254 3125 2830 2594 2708 2744 2096 2328 2419 2462 2694 2418 2060 1958 2678 2744 2452 2756 2182 1946 2914 3318 2228 2230 2020 2369 3044 3043 3222 2701 3039 3510 2495 2986 3080 2985 2780 3204 2173 2451 377.8957 *378.0581* C9 H18 N2 O12 S 12846 12838 9163 9544 11954 11146 13714 12803 11844 12408 7270 7625 3069 3430 5732 5831 7772 7927 5883 5371 9013 8736 7522 7930 8335 8781 6389 6514 1663 1354 14439 14350 10749 10692 16823 17247 21220 19887 18302 18128 15016 13996 12706 11235 7788 7956 17216 16649 3713 4382 8069 7340 15491 15524 9182 8780 11205 12595 16418 15731 19672 19903 17528 17383 20849 19941 6696 7123 12863 12496 22260 22761 15475 15196 20283 18765 14588 13869 14737 14186 14213 13303 10982 12093 17970 17240 8489 8141 18230 19333 378.0581 *378.0722* 378.0722@2.0006576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.0722 *378.0756* 378.0756@2.027451 1 1 1516 1291 1201 1061 1 1 1 1299 1381 1312 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 1852 1788 1 1 1106 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 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 1 378.0756 *378.1466* 378.1466@2.0568922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1466 *378.1498* C20 H26 O5 S 2905 2970 1 1 1 1 1 1 1 1 1 2208 1 4889 1 4376 2610 2626 3948 3984 1 1 4723 4517 2614 3052 1 1 4495 4680 1 1 1 1 1 1459 1 1 2486 1 1851 1820 1 1 1 2367 1 1 4262 1 5962 5840 2451 2676 5029 4867 1753 1858 2702 2719 1 3770 1 1 2786 2352 1 3185 1 2608 3671 3854 1 1 1 1180 4300 1 2995 3105 5808 5849 2776 2773 1 1 1 5124 4098 1 378.1498 *378.1652* 378.1652@3.2720122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2349 1465 1 1 1 1 1 1 1 1 1 1 378.1652 *378.2178* 378.2178@1.4922812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5448 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2178 *378.2184* 378.2184@1.3919176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2184 *378.2242* 378.2242@2.0577924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2242 *378.2291* 378.2291@1.1728384 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 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2291 *378.2308* 378.2308@2.911577 1 1 1 1 1 1 1 1 1 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 1 378.2308 *378.2359* 378.2359@1.1513548 1 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 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2359 *378.237* 378.237@1.0534652 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1659 1 378.237 *378.2434* C23 H30 N4 O 1 1 1 1 3189 1 2002 1687 2290 1880 2095 2336 3511 1 1 2187 2341 1281 1874 9001 1 1 1 1977 3945 2877 1 2079 1 2046 1 14346 1548 1 1 3498 2601 1 2170 1 1972 1801 3674 1 2985 5754 1 4106 1567 1 1 1 1 2866 1 1 1 1236 2238 1849 2260 2319 1722 2280 2805 2466 1 1 5093 5521 3541 4121 1 1547 1 1 2724 3372 2757 2863 1 1 1 1 1 1 1 1 1 1 378.2434 *378.2442* C12 H30 N10 O4 4103 3829 33098 33407 10952 10596 8979 8287 8800 8082 8949 8321 12979 12574 3587 1030 4177 3349 8600 2099 4717 4684 4365 1500 18190 16793 8279 6862 7943 5592 26235 4022 1705 2622 6248 2230 11218 13382 7723 7773 7802 7405 13201 18543 20140 22433 14806 11747 7596 5133 3617 3274 11401 10590 6264 5164 7689 6909 7523 6824 11582 11206 8418 8496 3493 10926 2812 2497 24017 24395 19014 19274 4801 4087 4778 4538 17505 17129 16094 15759 4356 4551 4220 3417 6549 6263 4761 4659 2804 2782 378.2442 *378.2447* 378.2447@5.236869 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 8882 1 1 1 1718 1 1 1 1 1 1 1 1 5690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.2447 *378.7459* 378.7459@5.2166696 1 1 10695 8940 4294 1339 3053 2412 2610 2388 2632 2949 3883 4474 1 1 1372 1040 2615 2331 1 1122 1 1 5733 5405 1982 1846 1541 1720 7099 7446 1 1 1 1666 3676 3729 2221 2699 2661 2431 4632 5295 7857 7174 2737 3337 1930 2087 1052 1 3944 3601 1268 1 2115 2141 1934 2113 3016 3970 2653 3094 3586 3768 1 1 10018 7754 7083 6669 1 1 1 1 5832 6265 5151 4405 1333 1266 1 1 1971 1 1388 1 1 1099 378.7459 *378.7459* 378.7459@5.2812223 1 1 1 1655 1 2061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1550 1650 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.7459 *379.041* Cyclopenthiazide 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1834 1561 1569 1940 1559 1 1 1 1 1785 1814 1 1 1689 1739 1562 1890 1 1 1472 1260 1 1 1390 1554 1719 1837 1092 1662 1392 1566 1785 1901 1471 1539 1497 1456 1270 1371 379.041 *379.041* 379.041@2.3862584 1 1 3612 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 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1557 1 1 379.041 *379.0415* C30 H5 N 2592 3760 1475 2252 7391 7551 9197 3652 5966 2653 6202 3385 1 1 3431 1876 6329 1 1 4255 1664 3896 3347 6197 2061 3889 7479 1 1 6111 3205 1 1963 4852 6286 5358 4685 3222 1 4615 2026 1 1 6259 1 4429 2210 5595 1 1 6771 7492 5806 5757 1 6348 2458 5045 1 5401 1422 2196 1863 3942 1 7123 1 2673 5596 1 1 6925 4875 8447 1 1 3482 1 9018 6840 7175 7027 7969 4614 6211 2209 1001 3392 4244 7629 379.0415 *379.0419* 379.0419@2.418963 2764 2482 1576 1 1 1 1 4284 1 2063 1 1 1 1 1 1569 1 3412 1 1 3687 1 2668 1 1 3327 1 1 1 1 1546 1 2804 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 1522 1731 1 1 1 1 1 1 1 2219 1 1 2523 1 1 1 4801 1 1 1799 1 1 1 2785 1 3701 1 2206 2621 1 379.0419 *379.1469* C22 H22 Cl N3 O 7835 6670 4648 4452 1 1195 3351 3311 7461 7632 4014 3956 10909 10961 10628 10306 6318 6541 9632 9164 7640 7708 10965 11371 6899 7212 12454 11753 10184 10733 4068 4486 1 1 2606 2491 4176 3676 4435 5474 4935 5207 1134 1399 4885 4879 2801 2825 10141 10574 14297 13431 6641 5564 12488 13059 4304 3952 5982 6255 9544 9201 2444 2579 5997 6695 6716 7553 4682 6442 9120 10013 2049 1752 2445 2688 10208 10918 8712 8750 13568 13862 6933 7015 6484 6398 11515 12004 9015 9063 379.1469 *379.1845* 379.1845@1.3195525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13284 10227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.1845 *379.1856* 379.1856@1.1828606 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.1856 *379.1882* 379.1882@1.3735286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.1882 *379.2149* C24 H29 N O3 66642 66814 1 1 105841 101518 1 1 31440 32475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97261 96713 1 1 1 1 102351 103082 116416 116862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 107380 105942 1 1 1 1 80863 84540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2149 *379.2455* 379.2455@1.085134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 379.2455 *379.2574* 379.2574@1.134351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1326 1 1 1458 15158 16539 1255 1 1 1 1 1 19037 1 1 1 1 9893 1 1 1 1 1 1190 11468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 379.2574 *379.2584* 379.2584@1.1837602 1 1 3452 1511 1 1 12846 1 1 1 1 1 1 1 1 1 1 1 1 16983 1 1 2774 1 2320 1 1 1 1 1 1 1 1 1 3158 2191 1 1 1 1 1 1 1202 1102 1 1 1 1 11522 1 1846 16726 1 1 1 1848 1 1 1 1 1 1 1 1 1 1 1 1 1 3268 1 1 1 1 1 1 1 1 3116 2525 1360 1 1 1 1 1 1 1 1 1 379.2584 *379.2727* 379.2727@1.1996104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 379.2727 *379.2823* 379.2823@1.1975639 1 1 1 1 4523 1 1 1 1 1 6113 5830 1 1 1 1 1 1 1 1 1 1 1 1 4587 2076 2927 8114 1 2389 1 1 1 1 1 1 3320 5412 1 1 1 1 1 1 1 9730 1 1 1 1 1 1 1 1 1 1 1 1710 1 1 2459 1 1 1 1 1 1 1 1 1 1 1 2862 1 1 1 1 1 1 1 1 1 1 1276 1 1 1 1 1 1 379.2823 *379.2875* 379.2875@1.1792972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19782 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 379.2875 *379.2991* 379.2991@1.1589732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.2991 *379.3039* 379.3039@1.164511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9443 5926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 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 1 379.3039 *379.3205* 379.3205@1.1672466 1 1 1915 3269 1063 1860 1 1 1 1 1818 1 1597 1424 1832 1205 1 1223 1862 2368 1 1 1856 2272 1289 1 1 1 1 1 1 1 1 1255 1 1 1 1 1 1 1 3361 1 1 1 1 1 1 1 1 1325 1 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1504 1 1 1 1 2230 1 1 1 1 1 1245 1 1 1 1 1 1 1185 1 1 1 379.3205 *379.3275* 379.3275@1.1615942 1 1 1467 1 1 1 1768 2655 3886 3777 1 4430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 3526 4010 3466 3325 1 1 1 1 1 1 1 1 2899 1 2439 2568 1 1 1 1 1 1 1 1 1 1 3086 1 1 1 5398 4846 1705 1652 1 1 1 2472 4122 1 1 1148 1032 1 1 1 1 1 1 1 1 1 6239 4921 6425 6037 1 1 1 1 1 1 379.3275 *379.3287* 379.3287@1.1355559 8703 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1172 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 1874 2042 1 1 1 1 1 1 1 1 2499 1 1 4513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 2000 2627 379.3287 *379.3427* 379.3427@1.1057478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.3427 *380.2304* 380.2304@1.95416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5550 6453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2304 *380.2324* 380.2324@1.1784552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 380.2324 *380.2436* 380.2436@4.1926975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8493 8520 1 1370 1 1 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 7245 1 1 1 1 1 1 380.2436 *380.254* 380.254@4.1857996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 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 1 380.254 *380.2881* 380.2881@1.1871507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1366 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 1 380.2881 *380.289* 380.289@1.4285777 1 1 1 1 1637 2686 1 8469 1 1 1 6881 1271 1 6968 8322 1 1 1 1 1 1 1 1 2343 3752 1 6266 1 6109 6170 9102 1 1 2154 1 1 1 1 1 1 6077 1 1 1 1 3680 1 1 1 7738 1 6284 10721 1 1 1 1 1 1 1 1 1 1 5438 5975 1 1056 5996 3679 4429 5793 5435 1 6865 6411 1358 8458 1 2976 1 1 1 1 1 1 1903 1 1 1 380.289 *380.2892* 380.2892@4.3239417 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 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 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1 1 1 1 1 1 380.2892 *380.2894* 380.2894@1.443112 1 2380 1 1 3200 1 7284 1 8445 10609 5092 1 6981 9874 1 1 1 5665 8314 4062 1 1 7928 7929 1 1 4657 1 5717 1 1 1 1 1 7893 7783 7480 6234 5887 8603 11708 5896 1 1 1 1 1721 7261 1 1 1 3995 4338 1 1 1 1 1 4937 4950 1 1 1 1 1 1 1 1 1 1 1 1 1 6908 1 1 5246 1 1 1 3980 5990 1 1 3367 1783 1 1 2770 2348 380.2894 *380.2898* 380.2898@2.0051184 1177 1 1 1804 2383 1 1 1644 1714 1 1746 2318 1 1 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1733 1 1385 1936 1782 1 1 1948 1 1 1 1 1 1 1 1 2644 1 1 1 1 1 1 1 1 1 1899 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 1 380.2898 *380.2899* 380.2899@3.9610205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2899 *380.2901* 380.2901@5.8131123 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2901 *380.2904* 1-octadecanoyl-rac-glycerol + 2.8791285 1826 3554 1291 1882 6302 4348 1 4836 2783 1961 1791 1 1 4267 1750 1875 2038 4029 2776 1 2950 2010 1 1 3789 1 1 1 1 3526 1 3623 1 1 4366 1530 1834 1 1552 1 1 2494 1928 3755 1 1718 1 1 2352 2319 1 1 1 1 1 2847 2877 1 1 1 1 1 1 1 1 1 1 1 1973 1 1 1 1 2440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2904 *380.2916* 380.2916@1.4888254 1 1 1 1 1 1 1 1 1974 1 1 1 2701 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 380.2916 *380.3023* 380.3023@1.2259614 1 1 1763 2885 1 1 1 1 1 2150 5838 6939 1544 1 2561 2883 1 1 7533 10083 1 1 1 1 1100 1 1338 1 3168 1 1 1 1 1 2609 1 1 4238 3005 4078 3513 2232 1603 1 7311 1167 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 2093 1 1 1 1 1 1 1 1 1 2041 1643 1 1 2539 3195 1 1771 380.3023 *380.3033* 380.3033@1.2267945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9168 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 1 1 1 1 1 1 1 1 1 1 380.3033 *381.0638* 381.0638@2.0730274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1768 2005 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 1 1323 1 1 1 1 1920 1559 1217 1 1 1485 1962 2029 1755 1593 1 1 1486 1528 2164 2195 1863 1771 1783 1876 1251 1205 1 1 3422 2838 1 1 1794 2044 1 2235 1600 1 2191 2071 1 1 1 1 1 1 1 1 381.0638 *381.0661* 381.0661@2.0726867 2299 2545 1 1 1 1 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 2121 1 1 1 1 1 1 1 1 1 1477 1 2293 2602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1467 1 1 381.0661 *381.0785* 381.0785@2.0734053 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 1985 1 1 1 1 1 1698 1 1 1 1 1 1 1 1 1 1 1 1 2188 2078 1 1 1 1 1 1 1 1 1 1 1821 1141 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 1791 1808 1 1 1 1 381.0785 *381.0902* 381.0902@2.0793612 1 1 2106 1 1268 1 1 1 1 2587 2023 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 2802 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.0902 *381.0958* 381.0958@2.0805583 1 1 1 1 1 1206 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.0958 *381.1049* 381.1049@2.0818002 1 1 1 1 1 1 1 1 1 1 1 1 2145 2012 1 1 1 1 2007 1 1 1 1 1 1 1 2737 2871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.1049 *381.1522* 381.1522@1.9389787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 381.1522 *381.1645* 381.1645@2.0654364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 4391 4812 1 1 1 1 1 1 1 1 1 1 381.1645 *381.1654* 381.1654@1.8280286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2100 1 1 1 1 1 1 1 1 1 1 381.1654 *381.1787* 381.1787@2.0550604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1595 1796 1 1 1 1239 1 1 1 1 2051 2385 1 1 1 1 1490 1804 1 1 1797 2020 1 1 1 1 1 1754 1 1 381.1787 *381.1989* 381.1989@1.0612208 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 1136 1439 1 1 1 1 1 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 1753 1574 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.1989 *381.2329* 381.2329@4.246516 1232 1166 1 1 3894 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 1499 1 1 1 1 1777 1886 2229 2402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4019 3566 1 1 1 1 1989 2077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2329 *381.2773* 381.2773@1.2024502 1 1 1 1 1 2337 1 1 1 1 1 1 1 1 1 1 1 1 2724 1 1 1 1 1 1 1 1 1 1 1 2575 1 2245 1 1 1 1 1 1 2055 1 1 1 1 1 1 1 1857 1 1 1 1 2861 1 1 1 2097 1525 2039 1 1 1 1 1 1 1587 1 1 1 1 1 1 1 1 1 1351 2134 2155 6656 4215 1 1 1 1 1 1 1 1 1 1 381.2773 *381.2843* 5,6-DiHETrE-EA 2832 2876 8376 12213 1 1 3834 5233 4010 3473 14335 21277 3971 2759 1 1290 1 3300 1 2216 1 1 3423 3981 9561 7647 30381 11076 1 3291 1 1 1 1 11800 5868 16946 23146 3309 1 5695 6856 3193 5851 1 16341 1252 1 1 1 1900 3302 1077 1873 25669 14532 1 1 1 2356 2517 2190 1 1 1 1 1 1 4669 4813 1547 2168 2437 4912 1 1 1 1 1 2009 11257 1 10513 9359 1 1 3526 1 1 1089 381.2843 *381.2889* 381.2889@1.1532212 1 1 1 1 1 1 1 1 1 1 8147 3081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18108 1 1 1 1 1 1 2300 1 1 1 1 1 2058 2687 1 1 1 1 1 1 1 1 1178 1 1 1 2462 3556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4432 2744 2559 1 1 1 1321 1 1 1 381.2889 *381.2927* 381.2927@1.433575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2927 *381.2964* 381.2964@1.2054175 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 381.2964 *382.0181* 382.0181@1.1934696 1 1 1 1 1 1935 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 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 1 382.0181 *382.108* 382.108@5.0442204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2623 1 1 1 1 1390 1201 1 1 2045 1675 1 1 1 1 1 1 1 1 382.108 *382.1085* 382.1085@2.895296 1 1 1 1 1 1 64643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4613 1 1 1 1 1 1 1 1 1 382.1085 *382.1087* 382.1087@2.9190927 1 1 1 1 1 1 12139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23152 1 1 1 1 1 1 4147 1 1 1 1 1 1 1 1 2198 1437 4932 7094 3159 3697 4770 1520 1 1 382.1087 *382.109* C11 H22 N6 O5 S2 136858 130449 120401 124594 176373 184597 97647 114065 140529 132825 164759 157015 131650 133629 123052 125380 176011 176559 140944 130265 117215 119841 118217 101116 191718 192867 138313 131811 163372 161477 135175 156870 103265 106439 174673 178305 194493 187576 104340 96123 105823 102613 182807 168330 141627 143716 181312 178451 99649 91973 9034 7820 36846 39048 49613 45179 96928 86791 90295 84452 15801 15952 91863 85528 4854 25967 21680 25858 140942 136836 2691 10553 133759 147077 44786 44214 11020 6828 4619 1 14047 13002 1927 3911 1434 1815 4203 3620 41220 45519 382.109 *382.1091* C11 H14 N10 O6 37987 37522 30471 31489 37240 26694 32380 39242 35519 29678 34756 41251 29803 36147 35754 37482 36507 35895 33556 36672 36593 29582 38561 42005 32280 27306 32763 33800 31448 29798 35051 8213 23587 33833 34485 36082 33458 41932 40777 45636 36616 35536 33155 34995 30079 34125 37190 38773 34736 35995 14815 24786 36561 34651 36212 39282 36747 37022 38355 39626 43936 27895 37605 22835 19946 22170 44183 44210 30378 38919 11076 48720 39595 39630 37781 28697 43341 39986 58208 57355 49607 9285 53585 42180 56434 61208 48854 46233 34706 35401 382.1091 *382.1091* 382.1091@2.7287757 1 1 1 1 1 5758 4863 49841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22723 10907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12253 1 4432 1 1 1 1 1 1 1 7422 6287 1 14317 16766 8749 7199 1 8852 1 1 1 1 1 4842 1 9699 1 5265 1 1 39083 1 11057 7270 1 1 5927 1 1 382.1091 *382.1125* 382.1125@1.4341792 1 1249 1 1 1 1 7062 1 9760 9483 1 1 8615 9383 5502 6170 1 1 1 4805 1 1 4645 1 1 1 1 2271 1 1 1 1 1 1 1 1826 3213 1 1 4174 1 1 1 1 1 1 1 1 1 1 1898 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5445 1 1 1 6704 6733 4436 1 7597 7378 1 1 2362 1 1 1 1 1 1 1 1 1 382.1125 *382.1134* 382.1134@1.4340165 1 1 1 1 1 1 1 7557 1 1 1666 1629 1 1 1 1 1214 1159 4719 1 1 1 1 4486 1 1 2570 1 1497 1922 1 1 1 1 2038 1 1 2992 4008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1725 1 1 1 1 2783 2882 1 1 1 5260 1 2122 1 1 1 4853 1 1 1999 1461 1 2017 1 1 1 1 1 1 1245 1366 382.1134 *382.1209* 382.1209@1.0446221 1 1 1981 2252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1824 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1209 *382.1452* 382.1452@1.9397764 1 1 1 1 1 1 4236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2792 2600 382.1452 *382.1559* 382.1559@2.095435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2663 2513 1 1 1 1 1 1 1 1 1 1 382.1559 *382.1606* 382.1606@1.2047362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1347 1046 382.1606 *382.195* 382.195@1.2017672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 382.195 *382.2012* 382.2012@1.1678958 1 1 1 1 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 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2012 *382.2245* 382.2245@1.2035314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2245 *382.24* 382.24@1.2037203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1233 1 1 1 1 1 1 1 1 1 1 382.24 *382.2513* 382.2513@1.0444549 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 1270 1845 1 1 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 5784 6326 1 1 1 1 1 1 382.2513 *382.2544* 382.2544@1.0431266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1387 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2544 *382.2685* 382.2685@1.1321087 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7786 1 1 1 1 1 1 1 1 382.2685 *382.2753* 382.2753@2.83402 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 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.2753 *382.2772* 382.2772@1.1536255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 382.2772 *382.2935* 382.2935@1.1448208 1 1 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 1 1 1 382.2935 *382.3052* 382.3052@1.0771856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 382.3052 *382.3161* 382.3161@1.083624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 382.3161 *382.9869* 382.9869@5.6233206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085 1114 1 1 1 1 1002 1 1 1014 1 1 1 1 1 1197 1 1 1 1 382.9869 *383.1118* 383.1118@2.706163 1 1 1 1 1 1594 1 1 1 1 1920 1194 2658 1 1 1 1 1 1 1 1 1 1 1 1 1021 1681 1 1 1 1619 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 1154 1 1 1 1 1 1 1 1 3178 1 1 1 1482 6861 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 383.1118 *383.1154* 383.1154@2.6760128 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.1154 *383.1168* 383.1168@2.0784397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2396 1 1 1 1 1 1 1 1 1 1 383.1168 *383.214* 383.214@1.0634929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.214 *383.2787* 383.2787@1.2095321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 383.2787 *383.2849* 383.2849@1.2112797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.2849 *383.2913* 383.2913@1.2046868 1 1 1 1 1 3276 1 1 1 3866 1 1 2489 1 2682 2504 1 2041 4355 1 2892 1 1 2740 1 1 1 1 4084 3607 3110 2927 2131 2083 1 1 1 1 1 2467 1 1 2274 1 1 1 3065 2578 1 3062 2916 2746 1 1 1 1 2293 3173 5127 2667 1 1 1 3361 3351 2996 2447 2802 1 1 2045 1 1 1 1867 1870 1 1982 1651 1 1 1 1 1 1 2180 1 1 1 1788 383.2913 *383.3004* 383.3004@1.1007848 1 1 3316 3429 1 2461 1 1 1 1 1 1 1 1 1 2280 1 1284 1 1 1 1101 1 1 1 1 1 1 1110 1 2478 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1362 1 1 1 1 1 1 1215 1097 1 1 1 1 1 1 1 1 1 1697 1 1 1 1 1 2065 1 1 1 1 1 1 3576 1295 1 1 1 1 1 1 1 1 1 1 1 1 383.3004 *383.3023* 383.3023@1.1970438 4975 1 16923 9129 1 1 3225 4673 1 1 17084 38220 1 2331 1 1 1226 1 1 3768 1 1 4225 1 7874 17243 47199 15293 1 1 1 2627 1 1 1 4862 13559 12953 4240 1 8469 1 1 1 1 46144 1 1 1 1 1 1 2985 2794 1 10716 1 1 1 1 7673 3089 1 1 1 1 1 1 2617 1901 1 1 1483 1 1 1 2004 1 9931 1 5533 5537 14593 15706 1 1 1 1 1 1 383.3023 *383.3041* C22 H41 N O4 4115 3491 3688 4516 2690 1 5318 2609 1391 1562 37772 19485 1355 1677 1 1 1 1 1 1 2951 1355 4047 4767 8080 13185 39667 37603 2335 3377 2155 1 1 1 3896 6329 10224 12522 1 4305 8065 23263 1637 1 73420 39739 1 1 1 1 1326 1550 1815 3813 17856 16636 1 1 1 2556 1 3665 1 2450 1 1 1165 1553 10179 1 1 1 1 1857 1 1 1075 5129 1 1 17094 15927 14384 16537 1 1 5304 6752 1 1032 383.3041 *383.3141* 383.3141@1.127049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.3141 *383.7655* 383.7655@5.420714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6442 1 1 1 1 1 7924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 383.7655 *383.7665* 383.7665@5.4016414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 3316 5556 5802 1 3836 4494 5394 8763 6630 3620 3458 1584 1848 1606 1644 2897 3425 2292 2035 2843 1 4062 1 3172 3536 3473 3098 4015 5668 383.7665 *383.7667* 383.7667@5.3880963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2862 4453 7217 3736 3342 6000 1 6347 4632 4027 3129 2429 2140 1271 1347 2911 2494 2370 2592 3159 5890 3523 3657 3547 1 3924 3348 5200 5885 383.7667 *383.767* 383.767@5.262532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2915 1199 1172 2585 3467 5059 4565 4368 1287 2485 2784 1725 1151 1 1070 2646 2847 1957 1839 2714 2398 3973 3472 2260 3078 3345 3756 3723 4569 383.767 *383.7681* 383.7681@5.57444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3019 2547 3914 5500 2960 3045 3897 4077 5553 4333 2866 2838 2013 1543 1225 1254 2926 2775 1783 2404 2683 2148 2128 2081 2526 2520 2987 3100 5513 6036 383.7681 *384.0385* 384.0385@1.5386353 1 1 1 1 1 1 1 1 1012 1 1639 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 1158 1 1 1 1 1 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2113 1945 1888 1 1 384.0385 *384.1069* 384.1069@2.0583446 1 1 1 1 1 1 1 1 1415 1 1 1 2093 2111 1683 2124 1 1475 1618 1630 1444 1382 2908 1808 1527 1 1 2287 2136 1 1 1 1 1 1 1 1 1 1 1327 1 1 1 1 1 1 1 1 2459 1 1 2573 1 1 1704 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 14462 13760 2346 2272 1288 1 1 1 1 1934 1 1 384.1069 *384.1243* 384.1243@2.8595788 1 1 1 1 1 3815 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1243 *384.1333* 384.1333@2.8219838 1 3635 1 4062 9468 1 4303 10538 3975 4134 1 1 1 1 1 3573 1 1 1 3859 1 1 1 1 1 4061 1 4507 1 1 1 9145 1 1 9817 1 5014 10255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4230 1 1 1 1 9223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1333 *384.1373* 384.1373@5.990158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3787 3652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1373 *384.1389* Asn Asp His 9553 5238 9147 6688 1 1 7366 1625 5456 5184 10496 8800 12281 11374 1554 6616 10989 11733 12079 7461 10756 11686 11793 12349 12448 7808 11798 1 17110 16517 9124 1032 7094 8828 4445 6680 5371 1 8921 8379 9373 9627 10084 9901 9947 10151 11972 1757 12348 12257 1301 2492 5604 1371 1761 1431 9155 9393 10237 9814 4703 2093 7563 7370 3048 3587 3205 3205 6397 9715 2555 1 6849 1331 3997 2706 1733 2264 1 4875 1 1 1 1 1 3789 1 4246 7343 8806 384.1389 *384.1395* 384.1395@1.2803655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1395 *384.1396* 384.1396@1.3225422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89293 92858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1396 *384.1397* 384.1397@1.1818628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12798 12688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1397 *384.1421* C18 H24 O9 7409 6364 6916 6216 5060 8023 1540 4469 2138 3377 5858 8440 9230 9094 4958 6191 5785 7649 9796 8194 7651 6503 8428 12017 7619 6518 1187 9159 4585 9854 6254 5830 4086 4563 2085 4589 3233 5607 7455 7156 6886 4450 6068 5034 7953 4747 7524 4977 10548 10497 11965 3201 3583 11240 11494 10492 8453 4066 8531 5828 5107 9781 5845 6144 8192 8278 1 13067 6679 8236 4885 11876 2011 5670 4733 3905 10456 6418 21795 9998 1 1 17714 1 16681 12695 1 5132 10537 12012 384.1421 *384.1422* 384.1422@2.6135728 1 1 1 1 1 1 11499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10411 1 1 1 1 1 1 1 1 1 1 1 1 9149 1 1 1 1 1 1 1 1 1 1 1 3484 1 1 1 1 1 1 1 1 1 1 12370 1 384.1422 *384.1424* 384.1424@2.7589872 1 1 1 1 1 1 8066 5540 5037 3283 1 1 1 1 9645 1 1 1 1 1989 1 1 1 1 1 1 1 1 9519 1 1 1 1183 1 1 6209 1 1 1 1 9085 9118 1 1 1 1 1 12367 1 1 2888 1743 1309 6612 8136 7939 1 1134 1 3501 2296 1 1 1 1 1696 1 3258 1 1 9060 1 8542 1 4910 3587 1 1009 1 1 1 1 1 1 1 1 1 7574 1719 1 384.1424 *384.1432* C19 H20 N4 O5 6881 6615 7582 7762 11475 12180 3866 11100 9765 9997 7277 7178 6965 6405 3959 4163 7432 8374 2969 1 14342 14252 7591 7278 14560 12469 11970 9128 2168 7300 10598 10116 1 3613 8544 4342 4635 4693 5430 4154 1776 4033 7364 7709 3794 3344 9800 9871 6834 6933 14077 14165 2416 6175 7792 7432 6889 7250 6229 6083 14658 13741 3873 3640 13273 4571 9405 11284 6384 3839 8217 12826 4994 15171 2793 8936 14508 14568 31794 29220 12567 12727 16718 16648 11906 12393 15035 10355 5325 15542 384.1432 *384.1441* 384.1441@2.7960842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.1441 *384.1475* 384.1475@1.4268575 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1971 3067 1 1 1 1 1 1 1 1 1 1 384.1475 *384.1922* 384.1922@1.9714775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 2016 1 1298 1 1 1 1 384.1922 *384.2003* 384.2003@6.0750113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 155152 157704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.2003 *384.2037* 384.2037@3.8603077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 384.2037 *384.2589* 384.2589@1.2083236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 384.2589 *384.2674* 384.2674@5.391566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1086 2409 2458 1378 1249 1866 1767 2701 2978 1381 1123 2066 1221 1 1 1169 1376 1158 1095 1768 1158 2196 1226 1403 1452 1787 1542 2370 2129 384.2674 *384.2678* 384.2678@1.1712399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3472 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 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 1 384.2678 *384.2683* 384.2683@5.3566318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1852 1830 1424 1013 1597 1732 1873 1878 1 1 1 1 1 1 1625 1200 1 1 1103 1 1537 1870 1041 1381 1452 1664 1600 1767 384.2683 *384.2685* 384.2685@5.5110536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2489 1490 1 1854 2031 1 2045 1 1 1 1 1 1 1368 1 1 1 1 1 1 1032 1157 1 1 1 1889 1922 384.2685 *384.2702* 384.2702@5.437992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1105 2640 1760 2060 1999 2439 1589 2546 2090 1 1385 1 1 1 1 1039 1472 1605 1045 1277 2479 1313 1449 1370 1301 1272 1289 2462 2178 384.2702 *384.2798* 384.2798@1.2063755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2434 1 1 1 1 1 1 1 1 1 1 1 384.2798 *384.2874* 384.2874@1.1621635 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1420 1571 1 1 1 1 1 1 1 1 384.2874 *384.3009* 384.3009@1.0796133 1 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1610 1543 1 1 1041 1299 1496 1 1 1 1 2382 1915 1 1 1 1 1 1 1 1 1 1 1862 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 1533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.3009 *384.3061* 384.3061@1.0982444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 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 1912 1 1 1 1 1 1 1 384.3061 *384.3705* 384.3705@4.2629447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6998 7042 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.3705 *384.9997* 384.9997@1.6370881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1585 1 1 1 1 1 1 1 1 1 1 384.9997 *385.0844* 385.0844@1.5399173 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.0844 *385.0858* C18 H11 N9 S 8762 9976 1 1 10743 5275 18818 21865 25017 30255 12806 13650 27057 31065 20954 22201 9685 8896 18213 20868 5985 5437 17096 20727 7710 8103 14488 13310 16782 16938 21002 21849 9643 9767 16463 15831 16009 15306 17482 19588 35153 35401 1 2262 3731 3270 16146 19427 3901 4403 10439 9914 34356 33032 1851 2808 3754 3493 12119 13168 5359 5422 1 1 19676 16156 1 7654 21926 22796 14387 14638 29043 28404 25533 23665 30593 28266 10134 9797 13673 17829 4481 1 9781 9857 1 1 12732 11698 385.0858 *385.1058* 385.1058@2.0829396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33099 30888 1 1 1 1 1 1 1 1 1 1 385.1058 *385.1394* C14 H27 N O9 S + 2.7317038 19822 1 9723 1 9484 21610 1 1 1 1 1 16240 1 1 1 26962 1 1 1 1 1 1 1 1 1 1 1 37676 1 1 1 1 18421 19662 1 24184 7560 1 26054 1 33079 34475 1 1 26790 1 1 1 45724 31878 1 9491 40952 42218 1 1 35163 29083 1 1 8646 1 1 18736 11797 12443 12176 1 1 27222 1 1 1 14230 22171 1 4715 2409 1 1 1 1 1 1 2433 2389 1 1 9981 58988 385.1394 *385.1397* C14 H27 N O9 S + 2.6028347 9299 25691 9362 23025 23651 9501 32352 43554 28168 23282 21583 31802 36880 37024 24785 6249 27608 25952 40236 34922 37596 38648 42101 44116 28505 30286 44393 5813 39720 36832 27118 24962 8010 7326 25746 17264 20030 20436 15257 29347 26537 29758 18890 24579 11179 30158 26217 26682 34555 6745 66883 63301 12739 14515 46738 44364 23198 16811 34343 32309 50858 47558 20835 14390 38875 37562 54921 56906 31485 20237 46071 49857 30719 16623 24268 21935 51703 36320 74763 61218 83485 80135 80915 79395 68225 66840 1 73611 56487 44441 385.1397 *385.1397* C14 H27 N O9 S + 2.814423 27810 28586 30547 33189 26420 28426 39437 38960 28015 31367 30843 12782 39977 40094 31475 31084 36421 36255 41442 40713 38769 38289 41903 43365 40569 40228 42879 40830 62370 59462 29134 28708 27171 26792 26225 27731 18784 28281 29339 29182 33583 33293 29413 30287 32924 31571 37146 38477 6766 47319 10866 8640 22460 7220 38425 31901 8252 3864 37480 37865 10394 8689 28587 26052 6425 7627 13084 13771 27563 28901 1051 1650 29848 26687 17964 18751 5620 26640 3007 18058 1788 1947 3518 4655 1336 1369 4401 1 28169 37563 385.1397 *385.1398* C14 H27 N O9 S 17554 27687 20624 30901 53912 48945 71901 63405 40320 37092 30658 32511 27908 27717 17778 10613 34930 33993 13419 12651 59370 62112 31082 31262 57289 57559 58574 23503 28069 27974 44371 41057 7063 5898 35823 14455 19714 13617 6480 25028 10284 4805 31439 32145 3059 14058 42976 42060 27829 21466 65486 64809 9686 9849 36428 37458 27032 11761 25705 27066 65530 62142 6434 3346 58437 59932 38128 44848 27990 8863 60970 60994 66740 67819 11596 35924 69320 71527 144610 141290 59441 59906 76629 77044 51282 52369 71261 71931 74647 21037 385.1398 *385.1399* 385.1399@2.6240358 6859 1 8677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.1399 *385.14* 385.14@2.8640797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21500 1 1 1 32365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5027 1 1 1 1 1 1 1 1 1 1 1 1 385.14 *385.1479* 385.1479@4.19829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 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 1 385.1479 *385.156* 385.156@1.0342667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8604 10052 1 1 1 1 1 1 1 1 1 1 385.156 *385.1573* 385.1573@1.3111887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.1573 *385.2054* 385.2054@1.0706539 1 1 1 1 1 1 1 1 1 1 1 1 1 4150 1 1 1 1 1 1 3876 1 1 1 1 1 1 1 1 4169 1 1 1 6229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5786 1 1 1 1 6602 1 2183 1 5655 4321 1 1 1 5773 1 3135 3472 1 1 1 4612 1 1 1 1 1 1 2953 1 1 1 1 1 1 1 1 1 1 1 385.2054 *385.2076* 385.2076@1.0694925 1 2422 1 1 1 1 2887 1 1 1 1 1 1 1 4622 1 1 1 1 1 1 4329 3571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6210 1 1 1 1 1 3312 385.2076 *385.2282* 385.2282@2.0539165 1 1 1 1 1 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12632 12167 1 1 1 1 1 1 1 1 1 1 385.2282 *385.2311* 385.2311@3.6388893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7862 1 1 1 1 1 1 1 1 1 1 385.2311 *385.2319* 385.2319@6.729724 1 1 1495 1644 1348 1662 1074 1 1 1 1363 1274 1293 1 1 1 1511 1173 1134 1 1 1 1 1 1702 2009 1097 1045 1081 1 1324 1506 1 1 1054 1 1 1 1 1244 1 1 2045 2235 1613 1731 1856 2035 1307 1092 1 1 1275 1 1135 1 1518 1284 1 1060 1 1 1 1 1 1 1 1 2024 2174 1196 1497 1 1 1 1 1 1 1433 1297 1 1 1 1 1 1 1 1 1 1 385.2319 *385.2321* 385.2321@1.9268341 1 2124 1 1 2907 2932 2525 2408 1 1737 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 1813 1 1 1 1 1 2456 2553 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 2287 1 1 1 1 1 1 1 13082 13011 1 1 1 1 1 1 1 1 1 1 385.2321 *385.2353* 385.2353@1.8978792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3724 1 1 1 1 1 1 1 1 1 1 385.2353 *385.241* 385.241@1.0442559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 385.241 *385.309* 385.309@1.1389751 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 385.309 *385.3186* C18 H39 N7 O2 14480 13723 31308 28620 3523 7843 1712 15212 11174 9502 54171 95506 5744 5340 6497 5025 7433 2810 6855 6464 6006 5397 11885 13324 42341 36507 115212 65639 8414 8508 1 2977 2576 3177 21269 20257 61296 64593 6001 5577 44307 44738 7131 8553 138287 82685 4471 4341 2755 4404 6412 6473 11646 10891 44397 50707 1537 1809 8193 9390 12386 11997 5817 5773 5292 4635 8960 8080 11750 12220 3050 5637 6403 8356 3655 3740 7324 6337 21122 17673 4866 4799 42942 36924 1409 3152 16453 15970 6162 6987 385.3186 *385.3202* 385.3202@1.1936691 1 1 1 1 1 1 16666 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51553 42776 1 1 1 1 1 1 1 1 385.3202 *386.0053* 386.0053@1.0289513 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.0053 *386.0693* 386.0693@1.4426123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6082 1 22808 1 1 2467 1 1 386.0693 *386.07* C18 H10 N8 O S 7475 8606 1 1 6704 8602 29606 25853 26347 19622 18610 17118 21155 23873 19414 19670 8947 8573 19988 22299 4899 5599 16315 14100 6502 6337 16204 17580 7965 8020 21339 22769 9715 10327 12534 13445 18651 19958 18934 16127 30199 31980 3095 3154 2323 2099 22468 20454 5237 5506 17569 15168 31901 32331 1602 1245 2336 2529 7512 7383 14891 14545 1 1 23808 25582 7360 8206 26045 25335 29257 30433 30463 30747 20257 23269 50923 50726 11914 12847 28708 25863 1920 9572 4682 26437 16405 14758 15389 15223 386.07 *386.079* 386.079@1.48645 1 1 1 1 1 1 1 1 1 1 1 1 5705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4553 1 1087 1 1 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 3788 1 1 1 1 3131 3452 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 386.079 *386.0839* 386.0839@1.5093955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1750 1 1 1 1 386.0839 *386.0954* 386.0954@1.9528489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.0954 *386.1399* 386.1399@3.3154922 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 3999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1399 *386.1434* 386.1434@2.6368866 1 1 3416 1 1 1 1 5355 1 1 1 1 1 1 1547 1 1 1 1 3192 1 1 1302 1 1 1 2590 4365 1 1167 1 1 1 1 1 1 1910 1 1 1 1 1 1566 1 1 1 1252 1 1 1377 1 3664 2141 1 1 1 1 1 1 1 1 2090 1 1 1213 1 2609 1 1 1092 2118 1 1 1526 1 1 1 1 1897 1 1 1 1 1 1 1 1 1 1 1 386.1434 *386.1436* 386.1436@2.3795757 1 1 4283 1 1 3492 1 6051 1 5014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 2709 1 1 1 1928 1 1 1 4625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 3374 1 1 1 1 1 2227 1 1 1 1 1 1 2471 1 1 1 1 1 1 1 1 1 9690 386.1436 *386.1447* 386.1447@2.6647732 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 1 1 1 1 1 1 1 1 1201 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 1 386.1447 *386.1725* 386.1725@1.2032535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1725 *386.1776* 386.1776@1.2018433 2021 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 1 1 1 1 1 1 1 1 1 1 1 2491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12260 12956 1 1 1 1 1 1 1787 1 1 1 1 1 1 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.1776 *386.1859* C22 H22 N6 O 77292 77408 104190 102110 118042 107352 94138 87826 105020 107833 90125 87402 111971 105223 133627 142995 96606 109034 106860 112190 94142 93878 94592 108867 93253 92246 98614 99274 113370 112489 127332 124567 140457 138585 115096 115425 84799 84441 81525 76621 135877 135768 92244 90012 80077 74634 99425 101095 107295 101778 129052 125227 120867 126020 132427 131264 76506 78951 121930 123872 142314 143200 103638 108608 92346 97030 75514 78005 79501 77817 90835 90640 81703 90738 66036 64163 102617 94795 98989 85088 69275 64596 109726 107753 56009 54449 85930 90195 84188 94352 386.1859 *386.1882* 386.1882@1.1277994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2123 1 1 1 1 1 1 1 1 1 1 1 1 386.1882 *386.2119* 386.2119@1.0685301 1168 1572 1 1 1 1 1 1371 1 1 1360 1 1 2002 1 1 1313 1 1 1 1 1 1965 1670 1 1488 1 1 1 1 1 1 1 1 1181 1394 1182 1258 1162 1 1 1 1 1 2237 1780 1 1 1189 1 1 1 1 2162 1 1 1181 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1247 1 1 1932 1 1 1 1 1 1 1 1091 2349 1 386.2119 *386.2139* 386.2139@1.0658158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2139 *386.2215* 386.2215@1.0621176 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 2865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2215 *386.2309* 386.2309@1.0305824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.2309 *386.2445* 386.2445@1.0665785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5290 3903 1 1 1 1 1 1 1 1 386.2445 *386.3375* 1-eicosanoyl-rac-glycerol 1313 1 1004 1349 5087 5563 3286 4126 2654 1 1 2543 2719 1098 4874 4176 4743 4302 2437 2502 4358 4378 1 2328 3562 3140 1 1 6983 6975 1 2620 1 3993 6571 5157 1 2703 5851 1 1 5041 1 4640 1 1 1 1 1 4588 1 1 2343 3350 3806 3243 1 1 5458 1 1 1 2846 1838 1 3987 1 1 2035 3341 5219 4129 1 1 1 1 1346 1130 2028 1671 1 1 5522 6797 1 1 3661 3417 1715 1 386.3375 *386.3385* 386.3385@1.0657439 1 1 1 1 1 1 1 1 1 2417 2371 1 1 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 1 1 3680 1 1 1 1 1 1 6052 4961 1 3025 1 1 1 1 1 4020 1 7737 7052 1 1 1 1 1 1 1 4804 1 1 1 1 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 386.3385 *387.0918* 387.0918@1.4280812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.0918 *387.192* 387.192@4.459408 1 1 1 1 1 1 1 1 34041 34161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9875 9853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19621 19863 13182 12531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.192 *387.2002* 387.2002@4.47266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 387.2002 *387.207* 387.207@4.4623356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 387.207 *387.2366* 387.2366@3.1349363 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2366 *387.2425* 387.2425@1.0590543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 387.2425 *387.2456* 387.2456@3.0127847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2456 *387.2462* 387.2462@3.017961 1 1 6017 5756 1 1 1 1973 1 1 3451 4184 2378 2416 1 1 1 1 1611 3189 1 1 1 1 1 1 1 1 1918 3219 5153 4213 1 1 1 1183 1 2655 1 1 1 1 1852 4499 4195 2896 2754 1 1 1 1 1 1 1 1 1 1979 2955 1 1 2563 1146 1 1 1 1 1 1 7216 6569 5162 1 1 1 1 1 1864 1 5423 1 1 1 1 1 1 1 1 1 1 1 387.2462 *387.2467* 387.2467@3.5890439 68998 1 1 1 1 1 1 1304 1 1 1 1 1 1037 60651 1 1 1 1 1 37910 1 1 1 1 1 1 1 1 1 1 1 16118 15034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23045 23412 1 1 1 60176 1167 67158 1 1 1 1 1 94890 1 1 17314 15801 1 1 1 1 66887 1 61461 1 1 1 1 1635 82565 83253 41484 39684 1 1 59258 61137 1 68126 387.2467 *387.2468* 387.2468@3.531198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2468 *387.2504* 387.2504@1.2183348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2504 *387.2635* 387.2635@1.1640054 1 1 4422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2635 *387.2737* 387.2737@1.1641383 1 1 1 5731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2895 1 1 11947 1 1 1 1 1 1 1 1 5808 1 1 1 1 1 1 1 1 10916 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 1 2224 1 1627 2474 1 1 1 1 1 1 387.2737 *387.2792* 387.2792@1.1579571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2792 *387.3322* 387.3322@1.2085611 1827 1588 1 1 1 1 1 2150 1 1 13509 13605 1 1 1 1 1 1704 1 1 2061 1781 1 1 1 1 18498 17427 1 1 1 1 1 1 1 1 8229 8865 1 1 4963 5593 1 1 4807 23570 1 1 1 1 1 1 1 1 6722 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 2450 4876 1 6305 4432 1 1 1 1526 2392 1 1 387.3322 *387.334* 387.334@1.1356325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 1 1 1 1 387.334 *387.3791* 387.3791@3.5859768 1 1 1 1 1 1 1 1 1824 7011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8299 4032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.3791 *387.3843* 387.3843@3.4617786 1 1 1 1 1 1 1 1 10382 3919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9786 16379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.3843 *387.3852* 387.3852@3.6501071 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 5425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.3852 *387.3859* 387.3859@3.7183247 1 1 1 1 1 1 1 1 3556 2634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6238 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.3859 *387.4092* 387.4092@3.5141566 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6284 3189 1 1 1 1 1 1 1 1 1 1 387.4092 *388.0604* C11 H12 N6 O10 1 1 15237 6177 1 12387 1 1 6330 7163 1 1 9356 9386 8433 8226 11140 1 1 1 1 1 6173 3317 3080 1 1 1 4031 8644 8429 1 1 1 11450 5887 1 9557 5838 6139 12076 7482 1 6707 1 1 7583 7222 1 1 1 5953 5689 6005 1156 1052 1038 1331 1 1 1 1 1 4631 1 1 5346 5405 1 11576 1 1 19127 9802 5984 6017 1 1 1 1 1 10234 1 12561 1 1 1 1 1 4208 388.0604 *388.1556* 388.1556@4.474695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9264 9375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1556 *388.1955* 388.1955@1.1943414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.1955 *388.2024* 388.2024@1.5013077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2024 *388.2061* 388.2061@1.5302689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3088 1 1 1 1 2354 1 1 1 1 1 10107 8551 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 4879 2067 1 1 1 1 1 1 7814 9921 1 2813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2061 *388.2068* 388.2068@1.14713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3959 4595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6085 6619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2068 *388.2094* 7alpha-(Thiomethyl)spironolactone 1 1 5808 5764 1 1 3247 3690 1306 1365 4977 4459 2004 2157 1927 1964 1099 1169 7922 8662 3763 3094 5285 5570 10790 12824 1 1 2786 2711 4243 6896 1 1 3517 3674 1 1 7053 7701 6310 6431 6522 6069 10754 8502 1407 1152 1480 1 1 1544 5934 6147 1 1 2776 2635 1 1 17014 16691 3672 3216 5584 5346 1 1 1 28873 10858 11061 1330 1 1 1 7677 7932 2730 2348 1643 1923 1117 1 3133 3551 1 1 1 1 388.2094 *388.2139* 388.2139@1.1636366 1 1 1 1 1 1 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 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2139 *388.2395* 388.2395@1.1675992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 2810 1 1 1 1 1 1 1 1 388.2395 *388.2504* 388.2504@3.523411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2504 *388.2536* 388.2536@1.1545858 1 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2536 *388.261* 388.261@1.0392863 1 1 1 1 1 1 4247 1 1 1 1 1 1600 2052 1 2120 1 1 2415 1 1 1 1 2151 1 1 1 1 1975 2172 2316 2441 1 1 1 1 1 1 1 1 2897 3451 1 1 1 1407 1 1 1 1 2334 2405 4712 5346 2422 2217 1 1 1 1 1 1 1 1 1 1 1 1 2944 1516 1 1 1 1 1 1 1 1 1 1 3213 3895 7765 9393 1 1 1 1 2562 1 388.261 *388.2711* 388.2711@1.233961 1 1 1 1 1 1 1 1 5440 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 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2711 *388.2714* 388.2714@1.3889388 1 1 1 1 1 1 1 1 1 5375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.2714 *388.3203* 388.3203@1.2072701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 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 1 1 1 1 1 1 1 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 1187 1 1 1 1 1 1 388.3203 *388.321* 388.321@1.2024745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.321 *388.386* 388.386@3.4959786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 388.386 *389.0411* 389.0411@0.7734676 1 1 1 1 1 1 1319 1410 1 1 1 1 1 1 1 1 2019 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 2450 2410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2405 389.0411 *389.0446* 389.0446@5.6510963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1688 1895 1 1 389.0446 *389.0522* 389.0522@5.646523 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.0522 *389.0995* C11 H17 Cl2 N11 O 3873 3391 3873 3839 5512 5680 7567 7091 3798 3355 5524 4848 5264 5074 3389 3824 6502 6778 6295 5336 4308 4403 4038 3609 7387 7897 6359 6390 9692 9151 3834 1 2086 2012 4888 1 5206 1 1 1 3167 2748 1 5469 4775 4686 6966 6467 4647 4064 1 1 1 1 1 1 2475 1 2362 1 1 1 1 1 1 1 1 1 3881 3542 1 1 3388 4048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.0995 *389.1062* 389.1062@2.841818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 389.1062 *389.1176* C24 H20 Cl N O2 1356 1364 1 1084 1159 1051 1 1079 1393 1023 1707 1415 1 1 1143 1 1644 1944 1 1129 1 1 1156 1 1113 1009 1389 1333 1257 1533 1184 1331 1621 2294 1780 1553 2087 2021 1946 2254 1760 1938 1371 1758 2130 1589 1260 1440 1785 1740 2035 1975 1879 2151 2908 2687 3145 2936 1 1415 1641 1462 2563 2956 2822 2314 4199 4162 2850 3086 4156 4454 2154 2227 1802 1820 3416 3162 3058 2528 3134 2555 2796 2538 3192 2347 2650 3491 1877 2145 389.1176 *389.1528* 389.1528@2.8908288 1 1 1 1 1 6506 7118 1 8067 1 1 1 1 2091 1387 1 1 1 1 1 1 4383 1 1 1 4221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2601 1 1 1 1 1 1 5579 2280 1 1 1 1 1 1 1 1122 1 1712 1 1 1 1 1 1 1 1 1 7061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.1528 *389.1541* Glu Gln Asn 8169 6491 7380 7359 6013 1 1 4744 1 4986 7150 6715 6835 3810 3348 5330 1 6062 4729 4803 1 1 5115 4691 1 1209 5578 4880 4612 6041 3553 1 6278 5577 6888 6706 6572 6399 6160 6056 4824 7444 5054 6295 4407 4511 5736 1 2639 4471 1 1 5560 5086 6252 5688 4808 1 5339 6590 3239 3073 5025 4748 3728 4363 3825 4110 1761 8588 1 1 1 5757 5985 5889 1 1 1 1900 1 1 1 1 1 1 2041 1 3865 4113 389.1541 *389.1715* 389.1715@2.9475691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 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 1 1 1 1 1 1 1 1621 1 1 389.1715 *389.1747* 389.1747@2.9396482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.1747 *389.1864* 389.1864@2.179798 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.1864 *389.1997* 389.1997@0.9508179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1809 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.1997 *389.203* 389.203@2.0628932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 389.203 *389.2546* 389.2546@3.5474327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 389.2546 *389.2648* 389.2648@1.0350096 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 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 389.2648 *389.281* 389.281@1.223937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 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 1 1 1 1 389.281 *389.2907* C19 H40 Cl N5 O 5418 5656 7278 19974 4640 1 6939 6135 1 3330 1 62466 3796 2480 1 1816 3934 1 2797 1497 2691 1128 6100 1 1 24198 60034 58885 4979 4170 2393 1 1481 3061 1 9962 19748 35909 1 3514 19945 19160 3747 1 56548 1 1124 1 1 1 2313 1849 1 1 1 1 1988 1 1579 2459 1 1 1 1 1 1572 4154 3996 3483 1 1 1 1 1 1 1 1 1 8365 9249 30146 32594 1 14732 1 1 7917 11012 2721 1297 389.2907 *389.2919* 389.2919@1.1640527 1 1 1 1 1 1 1 1 1 3578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.2919 *389.3055* 389.3055@1.1575605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.3055 *389.9163* 389.9163@6.431636 1 1 1585 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 1120 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 1142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.9163 *389.9581* C10 H14 O8 S4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1070 1 1 1 1172 1001 1 1 1 1052 1 1059 1 1 1 1284 1 1 1 1 1226 1 1263 1 1110 1005 1 1065 1 1 1 1 1015 1 1589 1724 1273 1502 1377 1173 1145 1369 1241 1 1747 1946 1123 1307 1631 1363 1649 1329 1196 1 2046 1995 1 1 1234 1355 1870 2145 1902 1995 2300 1727 1874 1984 1882 1744 2085 1717 1383 1507 389.9581 *390.0647* 390.0647@2.0659451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2817 1 1 1 1 1 1 1 1 1 1 390.0647 *390.0948* C12 H18 N6 O7 S 20496 18564 19489 20047 28340 30672 37952 37071 20540 19087 28223 26216 26706 26179 18840 20085 30881 31384 30729 26513 20936 22425 22097 17772 38637 35929 31822 30233 44834 41645 18690 24056 11159 10961 25186 25534 26619 26737 12028 10488 16526 14860 26991 27573 24750 25038 34220 35648 22290 19743 2772 2364 3999 4416 6979 6560 13021 10978 13695 11552 1 1828 9324 7558 2459 2355 2160 2760 19238 18273 1 1 18503 21050 2875 3253 1 1 2238 1948 1 1 1302 1 1283 1 1 1 5199 6366 390.0948 *390.1409* 390.1409@1.5979599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.1409 *390.171* 390.171@2.1828792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7111 7066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.171 *390.1861* 390.1861@1.9809498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 390.1861 *390.2241* 390.2241@2.886482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2241 *390.2337* 390.2337@2.9040697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 390.2337 *390.2442* 390.2442@2.8923774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2442 *390.2718* 390.2718@3.3393202 1 1 2124 1 1 1 1 1715 1 1868 1 1 2715 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 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 1 1 1 1 1 1 1 1 1 390.2718 *390.2743* 390.2743@1.6825361 1 1 1954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2823 1 3190 3860 1 1 1 1 1 1 1 1 1 1 390.2743 *390.275* 390.275@2.9627018 1 1 1 1 1 1 1946 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 1 1 1 1 1 1 1 1 1 1 2656 1 1 1 1 1 1634 1 1 1 1 1 4689 1 5134 3830 1 1480 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 1 390.275 *390.275* 390.275@2.0841923 1 1716 1 1 1 1 1 1 1 1 1466 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 1530 1 1 1 1 1 1 1 2560 1 1 1 1 1 3790 1 1 2079 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 1 1 1 1 1 390.275 *390.2754* 390.2754@0.73356026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.2754 *390.2755* 390.2755@0.87139666 1 1 1 1 1 1 1 1 1 1 1 3090 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 2344 2587 1 1 1 1 1 1 1 4140 1 4271 3216 1 2040 1 1 1 3773 1 2019 1 1584 1 1250 2103 2911 1872 1855 1 1 1 1 1 1 3522 2174 1 1 1 1759 1 1 1245 1 1 1 390.2755 *390.2755* 390.2755@3.5564423 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2003 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 1 390.2755 *390.2756* 390.2756@2.2187438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4324 1 1 1 1 1 1851 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 1 390.2756 *390.2761* 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 2.0397031 4221 4343 4197 1 3028 1 2855 1 1 1 2849 2926 3203 4169 1 2774 2127 1 1 2400 2476 1 2810 2304 1533 4034 1 4174 1 1 2396 1 1873 1912 2564 2288 1 3355 2473 2534 1775 1 1 1 4023 3924 4543 2401 2028 3298 3768 3330 3445 3139 3865 3239 5312 2266 2795 3165 1 2864 3575 1 1 1817 1 1 1 2793 1 1 1 1 1 1 1 2657 1 1 1 1 2519 1 1952 2878 1 1 1 1 390.2761 *390.2763* 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 2.8745131 5138 9929 5955 4196 7219 6213 4444 6457 7311 6922 6474 4211 7927 5119 2417 7475 4859 5587 1 4724 1 2726 1 1 1 6372 1 3057 4607 1 2649 5827 1 1 5467 4569 3393 5322 5462 1 1 2442 4687 1 4375 4605 1 4070 1 5443 5731 1 7994 6758 1 1 5005 7647 1555 1790 1 5905 1333 2327 2375 1 1 1 6229 3083 1 1 7310 3456 1 1 1 1 1 1 7292 12142 1 1 1 1 1 1 1 1 390.2763 *390.2763* 390.2763@2.186124 1417 4441 1 1 2286 3613 1531 3245 1971 1746 2351 2370 1397 1 1 1181 1141 2078 1 4291 2666 1 1275 1 2130 2180 1 2153 1 1 1 1 2457 1 1 1 1 2612 1 1 1734 1 1 1 6708 1627 3802 1 1 2065 4119 1801 1 1292 2971 1 1 1949 1 1543 1 1 2013 1 1 3714 1 2125 1274 1 1049 4391 1 1 2412 2255 1 1 1 1 1 1 1475 1 1 4893 1 1 1 1 390.2763 *390.2763* 390.2763@2.0175266 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 390.2763 *390.2765* 390.2765@1.3967409 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 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 2603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3228 1 1 1 1 1 390.2765 *390.2789* 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid 535222 545443 668620 644534 617945 611032 604360 603086 610117 566141 52257 42616 745548 746990 720112 703714 516934 489911 538851 556739 564898 27634 649149 636290 477286 476954 616352 32116 27528 605373 564129 518041 526820 493487 518067 522214 25753 27395 489549 476404 460583 477858 630292 1665 561299 540208 503591 520607 421808 24533 452149 441261 3499 1 21731 364990 1 3622 468274 466966 317340 1795 385083 378565 1 20605 270296 1 337412 356109 1040 228116 378925 363785 342404 343522 269101 264382 264707 264427 296825 305559 286183 282791 309329 307777 328480 19313 413255 423119 390.2789 *390.2797* 390.2797@1.1653602 1 1 1 1 1 1 1 1 1 1 1 1 3328 1 1 1 1 1 1 1 1 1808 1 1 1 25020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 1 1 1 1 1 2078 1 1 1 1 1 2476 1 1 315917 1 1 1 1140 1 1 2458 2556 1 1 1 1 1 1 1 1 3212 1 1 1 1 1 1 1 1 1 1 1 390.2797 *390.2798* 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 1.0630202 1 10078 22491 29523 1 1 24701 25314 1 35357 482628 478266 1 18584 1 1 1 28988 22571 1 23154 541585 1 19608 21339 1552 1 577388 596792 1 1 25445 3057 18520 1 1 452623 450187 1 1 24535 12346 1864 640542 1 1 3809 1 1 405534 1283 1 19582 541331 355590 1 480765 488308 26928 29220 25555 14834 1 1 360629 333927 1 274547 21416 2322 229182 1 1 1 1 1 1 1 18461 11313 1 1 1 1 1 1 17571 324150 1712 1 390.2798 *390.2799* 390.2799@1.0332041 1 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 545071 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 1 390.2799 *390.3026* 390.3026@1.0966123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 7574 1 1 4875 1 1 1 1 1 1 1 1 1 390.3026 *390.3154* 390.3154@1.2018317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8132 8833 1 1 1 1 1 1 390.3154 *390.4427* 390.4427@1.019409 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 1 12736 1 6593 1 1 1 4992 5606 1 2518 1 1 1 1 7131 1 1 6959 1 1 1 1 5001 1 1632 4935 1 1 10282 9498 6635 1 1122 1 1 5313 1 1 1 3182 1 1 1 1 1 1 1 1 1 3369 3910 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1885 1 1 1 1 1 1 1 390.4427 *390.6387* 390.6387@1.0095656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 390.6387 *390.7274* 390.7274@1.0105617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 390.7274 *390.7429* 390.7429@1.0185263 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 1670 1 1 1 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.7429 *390.7636* 390.7636@1.0141559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.7636 *390.7816* 390.7816@1.0121213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1088 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.7816 *390.7952* 390.7952@1.0183291 1 1 1442 1 1 1 1 1737 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.7952 *390.8054* 390.8054@1.0134244 1 1 1 1 1 1 1109 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 1 1 1 1 1 1 1 1 1 1 1 1 390.8054 *390.8122* 390.8122@1.0172831 1 1 1 1 1 1 1 1 1 1 1154 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8122 *390.8224* 390.8224@1.0155947 1 1 1 1 1 1672 1 1 1 1 1 1 1 1 2332 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1 1 1 1 1017 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 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8224 *390.8289* 390.8289@1.0153277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8289 *390.8393* 390.8393@1.0170755 1 1 1 1779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1300 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8393 *390.8506* 390.8506@1.0149043 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8506 *390.8595* 390.8595@1.014906 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8595 *390.8677* 390.8677@1.0171704 1 1 1 1 1 1 1 1 1151 1 1 1 1045 1 1 1429 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 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8677 *390.8754* 390.8754@1.0135481 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8754 *390.8806* 390.8806@1.0168536 1 1 1 1 1 1 1 1636 1 1 1 1 1 1 1 1 1 1 1 1 1358 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 1068 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8806 *390.8997* 390.8997@1.0115902 1 1 1 1 1 1 1 1 1 1 1382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.8997 *390.9151* 390.9151@1.0174525 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 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9151 *390.9481* 390.9481@1.0162904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9481 *390.9615* 390.9615@1.0151448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1880 1 1 1 1 1 1 1032 1 1 1 1 1 1018 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9615 *390.9762* 390.9762@1.0198376 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9762 *390.9848* 390.9848@1.0138092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390.9848 *391.0268* 391.0268@1.0197179 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.0268 *391.0373* 391.0373@1.0127718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.0373 *391.0623* 391.0623@1.0146157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.0623 *391.099* 391.099@2.8292542 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.099 *391.1215* 391.1215@1.0140092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.1215 *391.1474* 391.1474@1.6485779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.1474 *391.1809* 391.1809@1.2044183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.1809 *391.2919* 391.2919@1.1608863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.2919 *391.2981* 391.2981@1.1552769 1 1 1 1 1390 1430 1 1 1 1 1 1 1 1 1311 1404 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3117 1 1 1 1 1 1 1 1 1 1 1 1 1 5680 1 1 2739 1 1 1 1 1 1 1 2701 1 4470 1 1 1 1 1 1 1 1 1 1 4581 5005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.2981 *391.3038* C20 H45 N3 S2 14682 12111 27975 17855 9559 10151 9352 13872 13356 13328 95780 58481 8943 8668 4786 7141 9747 10160 6959 5606 9464 3830 10757 16882 27126 37863 85801 90477 6275 6122 2042 9266 1 8116 22452 12595 58758 42022 10307 3532 49250 21826 5433 9578 3120 102866 1 4120 1 1 3424 1 1 9461 29578 43384 1 1 1 1013 11156 10446 6182 2929 2326 3418 10668 10137 12953 1 2455 1 10418 9186 1 5592 12102 8393 1 1 60008 60250 28562 50070 1 1 20554 23862 8622 7757 391.3038 *391.3068* 391.3068@1.1484436 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 69779 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 1 1 1 391.3068 *391.7408* 391.7408@5.386332 1 1 53091 3383 1 1 1 1 1 1 1 1 21810 1002 1 1 1 1 1 9407 1 1 1 1 1706 26034 1 1 1 1 40210 1014 1 1 1 1 1 1 1 1 1 1 1 1130 42142 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 44110 43759 1908 2099 1 1 1 1 23180 1354 17668 1 1 1 1 1 1 1 1 1 1 1 391.7408 *391.7416* 391.7416@5.348039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 391.7416 *392.1438* 392.1438@1.360455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1438 *392.1661* 392.1661@1.2057508 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 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 1 392.1661 *392.1683* 392.1683@1.2042071 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 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 1731 1 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1683 *392.1813* 392.1813@1.2017672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.1813 *392.2041* 392.2041@3.4719934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11680 13053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2041 *392.2827* 392.2827@1.0494456 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 1 1 1 1 1 1 1 1 1 1 1 392.2827 *392.2872* 392.2872@1.9760082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.2872 *392.2897* 392.2897@0.6629956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1865 1 1 2874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1509 1 1 392.2897 *392.298* 392.298@5.1416364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1423 1 1 1720 2205 1 1 1 1 1 1194 1 2011 1 392.298 *392.2985* 392.2985@1.1947252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1250 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 1 392.2985 *392.3028* 392.3028@1.1852689 1 1 1 1 1 1 1 2282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.3028 *392.3087* 392.3087@1.1702551 1 1 1 1 1 1 1 1688 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 9496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 392.3087 *393.1305* 393.1305@3.287471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1814 1 1 1 1 1 1 1 1 1 1066 393.1305 *393.2001* 393.2001@1.199194 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.2001 *393.2426* 393.2426@1.076311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.2426 *393.2658* 393.2658@4.6863055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.2658 *393.277* 393.277@1.033052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 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 1 393.277 *393.3106* 393.3106@1.2034615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2410 2763 1 1 1 1 1 1 1 1 1 1 393.3106 *393.3199* 393.3199@1.1934936 1 1 1 1 3543 1 1 1 1 1 1 1951 1 1 1 1 1 2610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9754 1 1 1963 1 1 1 1 1 20557 1 1 1 1 1 1 4072 1 1 1 1 1 1 1 1 1 2450 1 1 1 1 1 1 1 1 1 1 1 1623 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1 393.3199 *393.3284* 393.3284@1.172932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 2557 1 1 1421 1 4397 1 1 1 1 1 2610 2171 1643 1 1 2009 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 1 1 1386 1 1 1 1 1 3366 1 1 1 1 2622 1 1 1972 1338 1 1 1 1 1 1 1 1 1 1481 1 1 1 1 1 1 1 1 3197 1 393.3284 *393.3378* 393.3378@1.1543578 1 1 1 1 1 1 1 1 1 1 4938 1 1 1 1438 1495 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 2480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 393.3378 *393.3412* 393.3412@1.1533605 13082 1 8109 10455 1 1015 1 1 1 2440 1 3858 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 4525 8135 5280 6803 1 1 1 1 1 1 1 1 1 1 1 1 5662 9839 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 17205 18357 1 1 1 1 1 1 1 1 1 1 1 1179 1 1 1 1 1 1 1 1 3395 3419 4318 7351 1 1 1 1 1 1598 393.3412 *393.8697* C13 H5 Cl3 O4 S2 1211 1 1177 1 1164 1 1 1001 1143 1 1367 1 1380 1 1 1 1112 1214 1433 1361 1328 1 1 1152 1 1 1 1 1 1 1347 1312 1410 1191 1509 1284 1 1340 1197 1400 1665 1187 1196 1 1194 1 1534 1374 1437 1 1 1712 1265 1523 1427 1478 1 1042 1238 1367 1558 1531 1657 1166 1635 1560 1321 1207 1 1114 1762 1752 1 1 1 1236 1834 1937 1842 1933 1696 1 1606 2080 2046 1859 1801 1669 1390 1241 393.8697 *394.0911* 394.0911@1.4468241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 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 2895 2830 1 1 1 1 394.0911 *394.126* 394.126@3.3084037 1 1 1 1 2464 1733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5071 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 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3929 2247 1 1 1 1 1025 1 9654 10171 2028 1519 1 1 2663 1765 1 1 6160 6306 394.126 *394.1614* 394.1614@1.926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 394.1614 *394.1772* 394.1772@0.93689114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 394.1772 *394.2405* 394.2405@1.1987683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.2405 *394.2698* 394.2698@1.1165589 1 1 1 1 1 1 1 1 1 1 41007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10975 1 1 1 1 1 394.2698 *394.3422* 394.3422@1.1344006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.3422 *394.3455* 394.3455@1.1975949 1 1 3480 3377 1 1 1 2441 1 5159 2316 7615 6599 1 2123 1 1 1431 5340 1 1 4885 4014 5585 3094 1 1 1 1 1 1762 1 1 1 3311 1 5852 4564 3847 1 4810 5675 1 2497 1 1 1 1 1 1 1 1 1 1 4344 4718 1 1 1 1 1 4364 1 5165 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 5425 2527 1 1 4037 3168 1 1 3675 5461 1 1 394.3455 *394.3482* 394.3482@1.1893104 1 1 1 1 2088 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 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.3482 *394.3495* C20 H42 N8 1 1994 2343 1 2142 1 2358 1 2358 1244 1 1 1 1 4426 1755 4268 1 1 4089 4421 1 1945 1 1 1 1 1 4166 1 3291 4760 2392 3026 1 1 1 1392 1 2548 1 1 3162 1 1 1 1986 2453 3057 1658 1 2916 1 1 1 1 1445 3489 2815 1 1 1 4293 1 2522 2557 1 5318 1 1 1 1350 3597 1351 1600 1 1 1 1 1 5342 1 2869 1 1382 1 5846 1 1444 1 394.3495 *394.351* 394.351@1.2740797 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.351 *394.3556* 5beta-cholestane 1 3713 1 1 6297 1693 3615 2300 1 1 1634 6563 3513 4414 2942 3785 1 1 1144 1 3566 2781 1 2102 1340 3605 1 4750 1 1 4696 1 3352 2699 1944 1 1 1 1 1 2510 1 4592 1 1424 4275 3614 1737 3305 1 5277 2539 1 6434 2673 1 1 1169 1 1 5575 4565 2679 3748 2933 1 1 4389 1 1 1 2735 1678 1559 2528 3484 1 1 1 2982 5880 3116 2316 1 1 1003 3459 6731 1 1 394.3556 *394.3556* 394.3556@2.7391398 1 1291 1 1 1114 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 2473 1 1 1510 1 1 1 1 1 1 1 1975 1 1 1 1 1 1 1 1 1 1 1 3803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3028 1 1 2323 1 1 1 1 1 1 1555 1 1 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.3556 *394.3584* 394.3584@2.679808 1 1 1 1 1 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.3584 *395.0641* C16 H18 Cl N5 O S2 2647 2730 2607 2847 3132 2872 3000 2743 3294 3033 2756 3035 2977 3167 3139 3042 3112 2827 3048 3240 3464 3593 2915 3166 2816 3037 3308 3139 2474 2425 3191 2511 2921 3404 3051 3204 3365 3183 3502 3508 2915 2670 3299 3410 2812 3070 2816 2670 2445 2463 3281 3436 3000 2901 3275 3333 3893 3853 2864 2917 4171 4123 3562 3833 4070 4150 3678 4180 3465 3140 3601 3945 3540 3281 4275 3782 3951 4083 4551 4203 3937 3869 4324 4575 3839 4283 4439 4317 4955 5160 395.0641 *395.1419* 395.1419@2.0719433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2064 1 1 1 1 1 1 1 1 1 1 395.1419 *395.1584* 395.1584@1.9289854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 395.1584 *395.2098* 395.2098@4.3233123 1 1 1 1 2072 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 4124 4007 1 1 1 1 3654 3635 4788 4577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 2831 1 1 1 1 2428 2540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2098 *395.2524* 395.2524@1.1734425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5408 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 1 395.2524 *395.2576* 395.2576@3.9434266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69378 54904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2576 *395.259* 395.259@1.1382123 1 1 4195 4526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11039 10861 1 1 1 1 5495 5644 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 1 1 1 9222 1 1 1 1 1 1 1 1 1 1 5751 4933 1 6696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.259 *395.2606* 395.2606@3.9884639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2606 *395.2677* 395.2677@0.9308051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.2677 *395.3067* 395.3067@1.1724017 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1605 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 1184 1 1 1 1 1 1 395.3067 *395.312* 395.312@1.1910478 1 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 1519 1 1 1 1 1 1 1 1 2602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1640 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 1 395.312 *395.3197* 395.3197@1.2038863 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 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 1787 1 1 1 1 1 1 395.3197 *395.3291* 395.3291@1.2046059 1 1 1 1 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 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 395.3291 *395.3387* 395.3387@1.1674757 1 1 1 1 1 1 1 1 1 1 1335 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 1564 2049 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 1 395.3387 *395.4476* 395.4476@2.846651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4350 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 1 395.4476 *395.4486* 395.4486@2.7887428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 395.4486 *396.1591* DIHYDROROTENONE 1895 1 1 1 1 1 1 1 2034 2021 1 1 2313 1 2836 2840 1600 1506 2147 1984 1 1823 1924 2290 1639 1 2919 2636 1937 1863 1261 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1358 1 1 2316 1953 3102 2297 1513 1530 2728 2694 1 1 1 1347 2609 2259 1 1 1732 1 1633 2168 1642 1913 2729 2949 1 1 1 1 2529 2338 2361 2146 3175 3025 1528 1 1 1 2340 1839 1658 1833 396.1591 *396.1864* 396.1864@1.200681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 396.1864 *396.195* 396.195@1.1696148 1 1187 1 1 1 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 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1238 1 1 1 1 1 1 1 1 1 1 3912 2048 1 1 1 1 1 1 1 1 396.195 *396.1962* Pregnenolone sulfate 16135 15890 15710 16197 19690 19112 15938 16474 17952 20020 15380 16223 17075 15735 21603 22299 18920 19282 19756 19582 20364 15812 15477 17117 17427 17311 18024 16673 20128 20657 20221 20540 25751 24790 16242 15598 14757 14171 14524 14620 23696 23923 14265 15168 13381 14954 18455 17473 19812 19768 21175 19762 14188 16026 19800 20332 16213 15552 21076 21207 21162 19860 20098 20563 18967 19653 16261 15256 16528 16001 17115 15794 13823 13991 13202 13210 17276 15356 17042 16732 10187 10341 11760 13155 12116 13745 15902 15489 14590 12594 396.1962 *396.204* 396.204@1.1793863 1 1 1 1 1 1 1 1 1 1101 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 5919 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 2943 396.204 *396.2047* 396.2047@1.2069365 1 1 1 1 1 1 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2063 1 1626 1 1 1 1 1 1 1 1 396.2047 *396.2574* 396.2574@1.0384239 1 1 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 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2574 *396.2642* 3beta-Hydroxychol-4-en-24-oic Acid 2143 1337 4523 1529 1 1 1366 1764 4911 2100 1 1 2734 3171 1880 1 4241 2914 1331 1 2899 1062 1 2854 1591 1817 2777 1478 1737 1 3059 2904 2701 2184 1 1 1 1 1676 1352 1 4063 1 2893 1304 1 1700 1559 1397 4935 4766 2724 1 1400 2003 1 1647 4144 1335 5131 1 1 1 1 1 1 1 1 1 1 1 1 2775 1 1 1 1 1 1 1 1 2516 1 1 1 1 1 1 1 1 396.2642 *396.2644* 396.2644@1.0393598 1 1 1 1 1 1 5108 1 2909 3986 1 1 1 1 1 1 1 1 1 1 3393 4245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1963 1 1 1 1 1 1 1 1 1 1 3258 1 1 1 1 1 1 1 1 1 1 1 1 2980 3186 1 1 2453 1 1 1 1 1 1 1 1 1 6364 6508 4429 3222 25884 23820 1 1 1 1 1 1 396.2644 *396.2644* C20 H41 Cl O5 2803 3382 1 2890 1 4557 1003 2384 1641 2065 5297 1 2050 1577 2397 1 1 1743 1 1774 1669 1801 4113 1097 1 1219 1890 2227 1785 1 1666 1 1136 2124 1079 1 1 2085 1 1 4247 1 1 1180 1 1 2555 2847 2850 1796 2007 1754 1940 1225 4201 1 2752 1 3612 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2644 *396.2665* 396.2665@5.7522917 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 2000 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 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 396.2665 *396.2836* C27 H40 S 6667 7549 124517 125221 16201 15559 1 27188 29179 28099 10882 10142 20099 19667 35984 18734 16269 15528 14742 1 24757 1 1 15894 9715 9309 25055 9078 17341 1 88493 20927 11105 30043 1 20304 1 1 24106 25465 14043 1 14858 13241 63496 74286 19437 19056 1436 9670 14622 1 33290 32161 25338 26049 1 1 24010 24852 12307 36523 17717 61229 29614 11742 9436 11617 17806 81459 16900 17084 21190 19645 17426 8836 52750 14338 28067 11185 37685 38418 37833 14063 4976 9735 25124 25132 29846 10161 396.2836 *396.2937* 396.2937@1.1916183 1 1 1 1 1 1 1 1 1 1568 1 1 1 1172 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2381 2331 1 1 1 6710 6273 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 2470 1 1 1 2347 1 1 1 1 3901 1 1 1477 1 3146 1 1 1 1 1705 1 1871 1 1 1 1 1 1 396.2937 *396.2959* 396.2959@1.2066901 1 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 1365 1 1 1 1 1 1322 1222 1 1 2466 1 1 1 1 1 1 1 1 1 1 2760 1 1 2192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1687 1 1 1 1 1 1 2718 1 1 1 1 1991 1 1 1 1 1 1 1 1 4672 1 1 1 396.2959 *396.2989* 396.2989@1.2016746 2437 1221 1 2072 1 1 4876 3171 1 1 3568 1 1 1 1 1 1 1 2008 1 3043 1 1 1 1 2354 2617 1 1417 1 1 1 1 1 1 1 1 2692 1 1 1595 2498 1 1 2290 2418 2396 1 1 1 1 1 1 3149 1 1 1 1 1 3592 9530 8003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1 1 1 1 1605 2024 1 1 4278 4443 396.2989 *397.0524* 397.0524@2.8893561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1877 1363 1 1 1453 1 1 1 1 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1376 1212 1429 1677 1 1 1 1 1 1 1 1 1 1 1585 1 397.0524 *397.0969* 397.0969@2.353566 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.0969 *397.1022* 397.1022@2.3157046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1022 *397.1511* 397.1511@1.1871805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 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 1 397.1511 *397.1581* C27 H24 Cl N 1 4401 1 3507 1 1 1 1775 4295 3903 1 1 6019 6241 6726 6701 3026 1 1 1 5015 4993 1 1 3890 4874 1 5651 5022 1 1 3798 1 1 1 1 5066 1 1 2873 2336 2193 1 1 4211 4440 2246 1 5565 5639 1 5500 3469 3934 6363 6404 2579 1 2883 2949 5280 5487 1647 1 3218 3125 3737 3639 1 1 6163 6311 1 1 1 1 1 5535 4067 3930 6980 6527 2565 2818 2769 3201 4882 1 3447 1 397.1581 *397.1904* 397.1904@1.2037593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1904 *397.2008* 397.2008@1.076719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.2008 *397.2348* 397.2348@1.042209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.2348 *397.2725* 397.2725@1.0361419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 397.2725 *397.2815* 397.2815@1.06567 1 1 5160 5538 1 1161 1 1 1 1 1 1 1041 1 1 1 1 1 1246 1 1 1 1 1 1750 1 1 1 1 1 5856 5412 1 1 1 1 1936 2554 1 1 1 1 1 1 4069 4302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4896 4627 1 1238 1 1 1 1 4229 4620 1 1 1 1 1 1130 1147 1 1 1 1 1 397.2815 *397.2872* 397.2872@1.1977898 1 1 1351 1699 1 1 1 1273 1 1165 3109 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 28630 4047 1 1 1 1 1 1 1027 1 1 1 1 1 1580 1 1 1 24884 24944 1 1 1 1 1 1 1039 1 1 1441 1 1 1 1 1 1 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1306 1 1808 1591 1 1 1 1920 1 1 397.2872 *397.2999* 397.2999@1.1385177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 3609 1 1 1 1 1 1 1 1 3223 1 1 1 1 1 1 5446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3011 1 1 1 1 1 1 397.2999 *397.3169* 397.3169@1.1376547 1 1 1 1 1 1 1 1 1 1 5196 6009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6520 10845 1 1 1 1 1 1 1 1 5332 6037 1 1 1 1 1 1 12561 13715 1 1 1 1 1 1 1 1 4236 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 5717 1 1 1 1 1 1 1 1 397.3169 *397.3563* 397.3563@1.1131428 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.3563 *398.0944* 398.0944@3.000481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3803 3903 1 1 1 1 1 1 2562 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.0944 *398.1277* 398.1277@1.2010462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15658 15450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1277 *398.1719* 398.1719@1.449898 1 1 1 1 1 1 1 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 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1719 *398.1728* 398.1728@1.9350531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1012 1 398.1728 *398.1885* 398.1885@1.443578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1885 *398.2039* 398.2039@1.0461811 1 1 1206 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 1254 1 1 1 1 1 1 1 1 1 1 1 1 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 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2039 *398.2067* 398.2067@1.0466651 1 1 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 1 1 1 1 1 1520 1 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2067 *398.2102* 398.2102@1.0523957 1 1 1 1 1177 1562 1 1 1513 1466 1038 1 1 1 1684 1744 1307 1 1 1 1 1794 1273 1 1 1 1 1 1297 1 1 1 1 1 1 1395 1 1484 1 1 1685 1853 1 1 1393 1 1 1403 1 1 1577 2387 1 1455 1468 1 1062 1 1 2527 1692 1255 1142 1 1 1201 4123 1475 1 1 1139 1298 1933 1 1 1 1817 1165 1 1 1 1573 1 1 1 1 1 1 1720 1 398.2102 *398.2245* 398.2245@1.2099385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2245 *398.2319* 398.2319@1.207235 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 1123 1 1 1 1 1 1031 1 1 1 1 1 1 1 1 1 1 1 1 1707 1696 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2319 *398.2422* 398.2422@1.1581368 1 1 2168 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 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 1144 1 1 1 1 1 1 1 1 1 1 1 398.2422 *398.2429* C21 H38 N2 O S2 131373 19001 64477 66178 7343 8914 6716 7378 13288 13640 7022 7669 11558 10667 16621 15949 7588 7540 7070 6951 6528 5806 10030 8687 6528 5311 11801 11776 9809 5037 9741 6956 11328 14234 5072 3772 7142 5195 4428 5510 8723 8743 6602 7596 7238 10406 6109 5755 10040 8465 7209 5860 18214 17302 7397 7176 2968 3376 7488 6954 6975 12117 10945 12435 7027 7198 4971 4700 6906 7072 4616 4934 6187 4770 24546 25299 5838 5832 13254 12154 10928 12181 20322 19181 3890 3037 6013 4956 8731 7734 398.2429 *398.2584* 398.2584@1.0354277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 398.2584 *398.2631* 398.2631@1.3631854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3870 4146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.2631 *398.3009* 398.3009@1.1293687 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.3009 *398.349* 398.349@1.2085309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4885 5391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.349 *398.3879* 398.3879@4.441588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50858 52348 1 1 1 1 1 1 15940 15191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.3879 *399.1012* 399.1012@1.4198357 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.1012 *399.1592* 399.1592@1.939989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1686 1516 1 1 1 1 1 1 1 1 1 1 399.1592 *399.1753* 399.1753@1.9415646 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.1753 *399.2191* 399.2191@1.0506363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 399.2191 *399.2289* 399.2289@1.0504203 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.2289 *399.2421* 399.2421@1.0838096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 399.2421 *399.2819* 399.2819@1.20172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 2979 1 1 1 1 1 1 1 1 1 1 399.2819 *399.2956* 399.2956@1.1867849 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2471 1672 1 1 399.2956 *399.2989* C22 H42 Cl N3 O 1 1 1 1 1948 2273 1417 2073 1558 3617 12261 25390 1832 1140 1638 1 1 1749 1826 2271 2628 3078 1565 3050 6184 7748 1 21191 2117 1 4063 7366 1 1835 1905 1397 1 1 1529 1586 2135 4256 1625 4078 1 1 1 5158 1357 3565 1 5049 1 1762 5453 8170 1 1 4636 4875 1197 3991 2505 6401 1 1040 1 1752 4075 3937 1254 2133 1 1 1 1 2942 4643 2928 2405 7604 1 16806 15569 1 1 1787 1923 1 2289 399.2989 *399.3039* 399.3039@1.1714637 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1885 19295 17809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.3039 *399.3391* 399.3391@3.9944751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2313 3037 1 1 399.3391 *399.372* 399.372@4.069074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12725 4189 1277 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.372 *399.3735* 399.3735@4.0518837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7259 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399.3735 *400.0998* 400.0998@2.2898648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6457 7079 1 1 1 1 1 1 1 1 1 1 400.0998 *400.1053* 400.1053@2.111928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2372 1 1 1 1 1 1 1 1 1 1 400.1053 *400.116* 400.116@1.9359899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1597 1 1 1 1 1 1 1 1 1 1 400.116 *400.1458* 400.1458@4.2266855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10561 9761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.1458 *400.1542* 400.1542@1.1243405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1015 1 400.1542 *400.1875* 400.1875@1.1912243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1594 1 1 1 1 1 1 1 1 1 1 400.1875 *400.2111* 400.2111@1.1173378 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16802 16958 1580 1 1 1 1 1 1 1 1 1 1 1 1600 1605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2111 *400.2318* 400.2318@1.0242246 1 1 1 1 1 1 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 2936 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2318 *400.2496* 400.2496@1.051813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2496 *400.2565* C17 H28 N12 4198 3442 37704 37935 15413 13985 10505 11105 11860 11422 9365 9851 16592 16967 3935 4472 6114 5930 10137 10320 4919 4530 3251 5137 12406 21288 6307 7066 6558 7780 29509 29977 2762 3140 6160 5670 1499 13730 10047 8929 9360 9854 2082 16123 30131 29162 2490 13000 8441 9101 3715 5751 2118 13289 1566 1911 6965 2021 6443 7909 12677 9261 9740 10404 12513 13678 2682 2231 33673 33936 25638 18932 5244 5716 3814 4655 17031 17988 17545 18353 3128 4134 3684 3324 1264 6234 5868 5022 3740 2498 400.2565 *400.2571* 400.2571@5.3651695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8791 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2571 *400.2576* 400.2576@5.323592 1 1 1893 2915 1 1 1 1 1 1 1719 1324 1029 1057 1 1 1 1 1 1 1 1 1285 1 2004 1873 1 1 1 1 1090 1929 1 1 1 1056 12666 1 1 1 1 1 16017 1 1 1454 13841 1 1 1 1093 1 14760 2360 5890 5322 2237 7805 1891 1 1 1474 1 1 1 1 1 1 1408 1 1447 1495 1 1 1 1 1 1 1263 1 1021 1 1 1 5399 1 1 1 1 1 400.2576 *400.2774* 400.2774@1.01862 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2774 *400.2929* 400.2929@1.020661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1857 1276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.2929 *400.2991* 400.2991@1.1303198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 400.2991 *400.3056* 400.3056@4.091253 5734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1725 1 1 1172 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2019 1 1 1 1 400.3056 *400.7337* 400.7337@3.971521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.7337 *400.7575* 400.7575@5.3898625 1 1 1 1 1 1 3976 3311 1 4142 3427 1 1 5774 1 1266 1 2485 3816 1 1707 1606 1 1 1 1 1 1 1 2515 1 1 1 1 1942 1 1 1 3466 2988 1 1 1 1 1 1 1 1 1 3485 1 1 1 1 1 1 1 1 1 2764 4371 1 1 1 4453 4580 1 1 1 1 1 8366 1776 1 1 1 1 6183 1531 5122 1365 1 1 1150 1 1 1 1 1 1 400.7575 *400.7582* 400.7582@5.3929043 1 1 13301 13773 4902 4991 1 1 3763 1 1 3122 5349 1 1 1 1 1 1 3709 1 1 1 1 7418 8026 2351 1665 2645 1 10880 10490 1 1 1 1731 5268 4908 1 1 2997 3219 5624 6263 11092 10537 4546 4784 2751 1 1 1 4201 4704 2021 1 2353 2800 2623 1 1 4496 3516 3374 1 1 1 1 11596 11751 8952 1 1 1811 1295 1 5675 1439 4660 1422 1 1 1311 1 2229 2091 1 1567 1 1 400.7582 *401.0979* 401.0979@2.458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 401.0979 *401.0982* 401.0982@2.2873638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10858 12096 1 1 1 1 1 1 1 1 1 1 401.0982 *401.0988* 401.0988@2.1044312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10070 10382 1 1 1 1 1 1 1 1 1 1 401.0988 *401.2233* 401.2233@1.1673107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 2433 1 1 1 1 1 1 1 1 401.2233 *401.2267* C16 H35 N O10 3185 2959 6160 5884 5174 5512 4976 5013 4860 4726 4746 4922 21159 20180 3496 3363 1 1 7072 6358 3723 4462 3598 3749 4329 3741 4730 5287 11441 10973 3802 3603 2639 2883 3153 4434 4209 3952 3606 3792 3767 3408 7477 6668 7479 7576 5685 5924 4941 4828 4013 3733 4797 4290 4436 4842 5430 5542 4413 4615 12798 12112 3402 3300 3083 3132 2550 2694 4342 4423 4287 4065 2880 3315 3183 2995 3631 3943 15267 15888 4039 3502 2710 1194 3318 3221 2878 2806 5705 6534 401.2267 *401.2274* 401.2274@6.0995097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 401.2274 *401.242* 401.242@1.0735992 4962 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.242 *401.2464* 401.2464@3.9128208 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2464 *401.2503* 401.2503@3.8613977 1 1 1 1 1 1 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 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2503 *401.2641* 401.2641@2.5796556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4405 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2641 *401.2958* 401.2958@4.0976887 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 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 7145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2958 *401.2961* 401.2961@4.0952864 1 1 1 1 1 1 6194 5916 1 1 2432 2337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1 3753 4152 1 8085 1 1 1 1 1 1 2031 2038 1 1 1 1 1 1 1 1 3941 3434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 4589 2673 1793 2165 2885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2961 *401.2987* 401.2987@1.2047027 1 1 1 1278 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.2987 *401.3097* 401.3097@4.090529 1 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.3097 *401.3121* 401.3121@1.2070291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9353 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 11226 7927 1 1 1 1 1 1 1 1 1 1 1 1 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 2305 1 1 1 1 1 1 401.3121 *401.3133* 401.3133@1.3752763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.3133 *401.3506* 401.3506@4.171663 4806 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10723 10965 2251 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 6509 6628 1 1 1 1 1 1 1 1 7151 2812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15269 15057 1 1 401.3506 *401.3516* 401.3516@4.163347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 401.3516 *402.1235* C24 H14 N6 O 1513 1432 1915 1984 1 1327 1578 1499 1353 1353 1962 2036 1422 1083 1669 1727 1788 1563 1097 1461 1160 1337 1061 1033 1286 1453 1435 1465 1311 1143 1555 1327 1860 1414 1 1400 1 1 1437 1316 1 1391 1338 1826 1265 1036 1156 1275 1 1304 1722 1700 1833 1949 1350 1469 1445 1621 1 1 2233 2386 1900 2092 3088 2944 1330 1198 1769 2283 1906 1882 2231 2092 1903 2015 2090 1 1475 1595 1822 1698 2345 2376 1828 1731 4397 4840 1605 1580 402.1235 *402.144* 402.144@1.1532341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1368 1 1 1 1 1 1 1 1 1 1 402.144 *402.1738* 402.1738@1.1619468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.1738 *402.1799* 402.1799@1.1601639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.1799 *402.2113* 402.2113@1.2013193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2113 *402.2388* 402.2388@1.0460018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2737 1 1 1 1 1 1 1 2178 1 1 1 1 1 1 3718 5317 1 1 1694 1885 1422 1 1 1 1744 2030 1 1 1 1 1 1 1 1 1 1 2385 2036 469739 466600 1 1 1 1 1 1 1 1 1 1 1 1 2438 2600 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1341 2415 2531 402.2388 *402.2394* 402.2394@1.0494456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.2394 *402.2464* 402.2464@1.0524685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1968 1 1 1 1 1 1027 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1587 1 1 1761 2107 1 1 2921 1 1 1 402.2464 *402.2838* 402.2838@1.2275778 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 402.2838 *402.2924* 402.2924@1.226689 1 1 1 1 1 1 1 1 1 1 4320 4482 1 1 1 1 1 1 3979 1 1 1 1 1 1 1844 1 1 1 1 1 1 1 1 1 1 1 3824 1757 2560 1 1 1 1 5422 5922 1 1 1 1 1 1 1 1 1 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1581 1780 1 1 1 1 1 1 402.2924 *402.3966* 402.3966@1.0172142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 402.3966 *402.4618* 402.4618@1.0197176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 402.4618 *402.735* 402.735@5.3941183 1 1 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 402.735 *403.1315* C18 H21 N5 O4 S 1 1 1 1 1010 1 1656 1351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1693 1343 1 1 2144 2148 2303 2659 2383 2418 1596 1368 1076 1 1 1 2231 2083 1 1 1 1 1596 1756 1 1 1275 1194 1802 1800 3516 3467 2452 2031 4402 4076 1 1 1109 1013 4406 4131 1991 1849 2576 3202 1412 1108 3517 3713 1345 1086 1 1 2246 2563 1 1 2975 2998 403.1315 *403.1515* C19 H17 N9 O2 1683 1548 1228 1379 1 1 2353 1021 1640 1660 1538 1385 2336 2328 1774 1800 1461 2094 2122 2394 2396 2561 2566 2766 1 2206 2312 2422 3261 3184 1764 1632 1426 1140 1 1 1 1113 1747 1328 2112 1836 1 1266 1718 1217 2317 2014 3146 2623 1 1 1 1 1433 1121 2127 1644 2496 2261 1 1 1025 1366 1 1 1 1 1594 1654 1 1 1729 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1121 403.1515 *403.2032* Gln Lys Glu 1 1 7560 7609 8360 9716 2639 3052 4158 4501 1 2904 9068 10574 17075 17335 7060 7657 1 1 5636 5722 5779 6342 1 1 6910 6162 9456 9502 1 1 1 1 9069 9730 6427 6545 1 1 10154 10336 8937 7324 5172 5155 5268 5077 6928 8065 1 1 11573 11828 12421 11677 6141 6359 8634 8141 1 1 1 1 1 1 5730 5870 1 1 5131 5354 8857 8548 7740 8234 5807 6068 11590 11545 5432 5382 1 1 4001 4184 6692 7268 6583 6528 403.2032 *403.2657* 403.2657@1.0513502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.2657 *403.2733* 403.2733@1.1666656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4137 4215 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4304 1 1 1 1 1 1 403.2733 *403.2735* 403.2735@1.174526 1 1 4113 1 1 1 1 1 1 1 68317 10675 1 1 1 1 1 1 1 1 1 1 1 1 2488 1906 1 71856 1 1 1 1 1 1 1 1 11822 4272 1 1 3578 3346 1 1 15904 79555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1931 2585 1 1 1 1 1 1 1 1 1 1 1 5693 4485 3303 1 1 1485 1253 1 1 403.2735 *403.2839* 403.2839@1.1139545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 403.2839 *403.2843* C22 H42 Cl N O3 1 1 5824 8892 1205 1 2051 2376 1866 2307 1 1631 2342 1656 1 1 4007 3218 1 1 2559 1918 1 1 1 1 1 1 1 1 1 2303 1 1 1303 1619 1 1 1 1360 4480 4528 2185 3985 1 1 1702 2509 1 1 1 1 4057 4306 5636 5151 1 1 4863 1 2536 1 1 1 2000 1 2162 1737 1 1 4894 1 3695 3810 1 1568 2317 2278 4490 5104 3678 4901 3629 5844 1 1 3265 3387 4168 4082 403.2843 *403.2914* 403.2914@1.1240059 1 1324 1 1 1 3565 1 1 1 1 1 1 1 1 1 1 1 1 2053 2042 1 1 1 1 1 1 1 1414 2610 2493 2561 1 2429 1 1 1 1 1 1243 1 1 1 1 1 1 1 1 1 2231 2586 2691 2398 1 1 1 1 1 1 1 4297 1 1403 3282 3156 1 2757 1 1 1 1 1 3538 1 1 1 1 1 1 1 1 1 1 1 1 2092 1 1 1 1 1 403.2914 *403.3635* 403.3635@1.0693486 1 1 1 1 1 1 1 1 1 1 1807 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 1128 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 403.3635 *404.0646* 404.0646@0.8448953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5623 6011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4005 404.0646 *404.0961* 404.0961@5.4500275 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.0961 *404.1279* C25 H24 O S2 2031 2013 1394 1374 1915 1635 1 3395 1669 1635 1 1 1 1 1 1 1 1 1 1 1352 1346 1079 1 1064 1374 1048 1054 1 1 3464 2916 1460 1255 5101 5081 5882 5735 5380 5355 2702 3021 2414 1896 1 1 4954 5050 1 1 1081 1 3403 3555 1417 1314 2673 3028 4487 3806 9169 8666 5080 5413 9941 10288 1 1109 1998 2352 10174 10398 4636 4202 7133 6729 2758 2660 8359 8675 2826 2789 1868 2153 6410 6160 1100 1156 7232 7084 404.1279 *404.1535* 404.1535@1.0479964 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 1673 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.1535 *404.1567* Desmethylnimodipine 2935 2861 3235 2836 4032 3782 2868 3259 3959 3804 3481 2890 1776 3498 3928 4058 1 3184 3726 5806 3510 1770 2618 1169 1 2690 3827 3651 3605 1754 1918 4001 3475 3133 1689 1641 1 2692 3292 2992 4245 4702 3358 1663 3129 2933 4047 1206 3952 1 3856 3581 3613 3495 1 1 1 1988 3476 1 3403 3429 1 3813 1689 1693 3014 1309 1520 2981 2988 1485 2872 1 1897 2283 2820 4385 1406 2391 2472 2570 1 2934 2333 2052 2909 1435 1546 1682 404.1567 *404.2573* 404.2573@1.03035 1 1 3424 1983 1 3479 1912 1977 1 1 1 1 1701 1831 3186 1 1 1 1 1 1 1894 5275 3565 1 1 1 1 1656 2087 2031 1774 4033 3367 1 2694 1 1 1 1 4027 1440 1 1 2220 1 1 1 1 1 2833 1 2791 1918 1 1 2555 1 1 1 1 1 2515 1 1 3033 1 1 1 1 1 1 1 1 1 1 2547 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2573 *404.2616* 404.2616@1.0459844 1 1 1 1 4220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 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 1 3078 1 1 1 1 1 1 1 1 1 2173 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 1 404.2616 *404.2754* 404.2754@1.1702584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1 1 1 1 1 1 1 1 1 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2754 *404.2789* 404.2789@1.1363715 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2789 *404.925* 404.925@6.5433745 1 1 1318 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.925 *405.0378* 405.0378@2.3286572 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.0378 *405.0401* 405.0401@5.834236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 405.0401 *405.0926* 405.0926@1.7660979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 2125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.0926 *405.1253* 405.1253@5.8415155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2777 2798 1 1 1 1 2059 2449 1923 2222 1547 1595 1 1 2150 2307 1292 1350 1 1032 405.1253 *405.2568* 405.2568@1.0458181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 405.2568 *405.285* C20 H35 N7 O2 3205 3406 1 7587 2099 1696 1 4658 2065 4672 1 15853 3098 1890 2612 1265 1988 2017 1 2087 1175 2281 2550 2760 13949 1 1 1 1681 2171 1116 1402 1 2334 9249 7124 23481 23431 2221 1 13714 8385 2758 1591 25556 1 1 1 1 1007 2085 1285 1614 3663 12127 11505 1695 1 2725 2478 1752 1498 2343 1095 1156 3019 3123 3037 1 4599 1170 2262 2057 2788 1341 1 2174 1 7935 8932 12878 15326 1 1 1 1 5833 4701 2369 2549 405.285 *405.2874* 405.2874@1.1716181 1 1 1 1 1 1 1 1 1836 1 1 1 1 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1596 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 1191 1664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.2874 *405.291* 405.291@3.9125705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6520 7700 1 1 6764 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 1 1 1 1 1 405.291 *406.0528* 406.0528@1.9598577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 406.0528 *406.0556* 406.0556@2.0639565 1670 1 1 1468 1 1 1 1 1351 1 1 1 1724 1 2259 1 1 1 1 1 1 1683 1 1 1 1 1932 2103 1602 1 1 1386 1 1 1 1 1565 1328 1 1 1 1 1 1 1 1 1 1 1604 1790 2263 1855 1 1 1 1 1 1 1389 1 1 1 1 1 1 1363 1481 1 1 1536 2046 1927 1 1 1 1 2156 2022 1 1 2316 1937 1481 1777 1 1 1891 1914 1666 1 406.0556 *406.0891* 406.0891@1.7636032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5707 6188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.0891 *406.1462* 406.1462@1.7110658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2929 3246 1 1 1 1 1 1 1 1 1 1 406.1462 *406.1638* 406.1638@2.1828794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2688 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1638 *406.1822* 406.1822@6.070629 1 1 1 1 1 1 1 1 1 1 1 1 1814 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1667 1491 1 1 1 1 1 1 1 1 1 1 406.1822 *406.2426* 406.2426@1.0700434 1 1 1 1 1 1 1 1 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 1 1 1 406.2426 *406.2522* 406.2522@1.1314859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 2050 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 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2522 *406.259* 406.259@1.0345343 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.259 *406.2693* 406.2693@1.0941736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1206 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 406.2693 *406.2816* 406.2816@1.157507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.2816 *407.0534* C23 H9 N3 O5 2954 3556 2510 2659 1 1 1575 1826 3060 3108 2340 2260 3309 2672 4065 3653 2189 2700 2702 2898 2951 2762 3140 3283 3187 3071 3290 3819 2557 2972 2237 2388 1 1 1502 1644 2443 2393 2546 2291 1901 1860 1 1 2350 2059 2033 2270 3177 3508 4266 3496 2691 2697 3202 3523 2454 2243 2683 2447 3947 3475 1923 2138 2941 2779 3769 3712 2847 3229 3361 3674 1288 1 1911 1900 4265 3859 2220 2527 4476 4301 2650 2780 3114 2821 4496 4204 3190 3734 407.0534 *407.0646* 407.0646@1.5096049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 407.0646 *407.1715* 407.1715@1.848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 407.1715 *407.2087* C25 H29 N O4 1 2346 3249 1 3151 2583 1 1 2731 1 1 1 3412 5609 4120 3952 1 1 3341 1460 1 2172 1 1 1 4410 7213 1 5610 5309 4401 4726 1 1 5141 6094 3419 9722 4804 4452 4427 1 9808 9868 4638 1 5010 4908 2190 1 2263 3412 2820 1 3507 1 5357 4983 1 3149 1 1 3590 4266 1421 2927 1 1 1 2558 1872 2324 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.2087 *407.2458* C26 H33 N O3 1 1 1975 2104 1511 1712 1393 1320 1245 1315 1681 1473 1593 1237 1 1 1415 1088 1437 1218 1 1 1 1 1769 1913 1023 1071 1549 1498 1523 1893 1 1 1021 1 1130 1 1 1277 1 1 2316 2846 2036 2025 1741 2385 1476 1251 1 1153 1429 1182 1050 1058 1420 1754 1187 1039 1014 1 1272 1 1001 1460 1 1 2338 2716 1475 1696 1 1 1 1 1 1 1219 1226 1 1 1 1 1 1 1 1 1 1 407.2458 *407.251* 407.251@1.0558193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.251 *407.263* 407.263@1.0437981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 407.263 *407.2697* 407.2697@1.0448177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14446 1599 1 1 1 1686 1 1 1 1 1 1 2404 1 1 1 1 1 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 1542 1 1 1 1 1 1 407.2697 *407.2756* 407.2756@1.0650272 1 1 1312 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1536 1312 1 1 1 1 1 1 1 1 1 1 1154 1734 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 407.2756 *407.2898* 407.2898@1.0957538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8201 9080 1 1 1 1 1 1 1 2934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.2898 *407.2981* 407.2981@1.17502 1 1 1 1 3671 20018 1 1 1 1 1 1 1 1 1 1 1 3144 1 19241 1 1 1 1 1 3591 1 1 1 1 2307 2371 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 1677 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 1 407.2981 *407.3017* C13 H37 N13 S 19565 22964 21666 22443 28390 7085 24629 21993 23688 23031 24168 24748 25656 26273 21051 25717 24126 24952 21137 2704 18101 19649 25883 24374 17880 17088 14293 14834 23604 23715 20466 22169 22359 20651 34944 32504 19588 19735 30123 31463 16371 16324 25236 26343 15806 15357 17036 17672 19230 19935 25235 26115 18664 17437 18429 16666 14217 16325 18410 18616 17116 15765 17087 15996 15311 14386 14560 14056 15581 16867 19764 18465 20478 19422 20335 20273 13527 13931 15685 16987 16111 17245 21383 22551 19181 17916 22236 24293 21042 20492 407.3017 *407.3067* 407.3067@1.1612924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4915 1 1 1 1 1 1 407.3067 *407.3358* 407.3358@1.1561966 1 1 1 1 1 1 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.3358 *407.3521* 407.3521@1.157105 7187 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.3521 *408.0509* 408.0509@1.4192835 1 1 1 1 1 1 1 1 1366 1657 1 1 1 1 1 1 1 1 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1642 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 3017 1 1 1 1 1 1 1 1 1 1 1 1 408.0509 *408.1083* 408.1083@2.8309126 1 1 1 1 2344 1 3000 2859 1 1 2422 1920 2315 2872 1917 1687 2541 1 2647 2382 1887 1768 2272 1837 2928 3100 2695 2623 3660 3844 1620 2063 1 1 2108 2160 2074 1 1 1 1 1 2341 1 2015 1834 2412 2882 2092 2020 1 1 1 1 1 1 1 1 1546 1392 1 1 1 1 1 1 1 1 1650 1792 1 1 1535 1928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1083 *408.1455* 408.1455@5.642179 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1455 *408.1484* 408.1484@1.2025442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11943 11739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1484 *408.1541* 408.1541@1.2032938 4402 4485 1 1 1 1 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 2160 1 1 1 1 1 1 1 5620 1 1 1 1 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 4100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.1541 *408.1709* 408.1709@1.1424716 1 1 1 1 1 8736 1 5908 1 1 1 1 1 1 10719 1 7927 1 6951 1 1 1 7487 1 3654 3578 1 1 1 1 1 1 2484 1456 1 1 1 1 1 6330 1 1 1 1 1 4076 6022 5988 1 5263 1 1 6914 1 1 1 4081 1 1 1 1 1 1 1 1460 1744 3786 1 1 4074 1 1 6383 1 1 1 6612 1 1 5176 1 4325 1 1 1 1 1 1 6528 1 408.1709 *408.1727* 408.1727@1.1354886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6585 1 1 1 5205 4684 1 1 3584 1 1 1 1 1 1 1 1 5936 1 1 1 1 1 1 1 1 1 1 1 1 408.1727 *408.1796* 408.1796@1.7940385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10134 1 1 1 1 1 1 1 1 1 1 408.1796 *408.2394* 408.2394@1.1358097 1 1 1 1 1 2298 2418 1038 1 1 1 1 2216 1 1 1 1 1722 1 1 1 1 1 1 1 1 1188 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1 1 1 1 1 1 1 1 1 1 1 2424 1 1 408.2394 *408.2462* 408.2462@1.1375068 1103 1 1 7093 1 1 1 1 1 1 1 1 1 1 2617 1 1 1 2042 1 1 1356 1 1 1443 1 1 1 1 1173 1 1951 1 1 1 1 1 1538 1 1 1336 1 1 1 1 1 1 1 1 1 2548 1 3606 1 4794 3628 1 1 1 3309 2417 1 1 1 3267 2768 1 1305 1 1 2760 3864 2583 3252 1 1 2628 1 1 3803 1 1 2173 2172 1571 1 1605 1 2829 3795 408.2462 *408.253* 408.253@1.1323352 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2998 1 1 1 2906 2667 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 1 408.253 *408.2556* 408.2556@1.5898583 1 1 1 1 1 1 1 1 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 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2556 *408.2606* 408.2606@1.1251087 1 1 4684 1 1 1 1 1 1 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 1066 1 1 1 1 1 1 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 1 408.2606 *408.2865* 408.2865@1.145732 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 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2865 *408.2949* 408.2949@1.148754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.2949 *408.297* 408.297@1.1541098 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 1 1 1 408.297 *408.3117* 408.3117@1.1854215 1 1 1 1 1 1 1 1 1 1 7521 1 2930 2594 1 1 1 1 1 1 2571 1 1 1 1 1 1 12860 1 1 1 1 1 1 1 1 1 1 2411 1 1 1 1 1 1 11737 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 3945 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 408.3117 *408.3208* 408.3208@1.2079439 1 1 1 1 1 1 1 2222 1769 1368 1 1 1 1 1 1 1 1 1 1 1 1293 1157 1598 1 1 1 1 1 1 1 1 1 1338 1 2203 1 1 1 1635 1 1 1 1 1 1 1 1 1 1 1488 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4310 1 1 2077 1 1 1 408.3208 *408.3266* 408.3266@1.2110403 1 1 1 1 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2957 1 1 1 1 1 1 1 1 2788 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1476 1 1 1 1 1 1 1 1 1 1 1390 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 408.3266 *409.1739* 409.1739@1.2075624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.1739 *409.1758* 409.1758@1.7910386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23514 18724 1 1 1 1 1 1 1 1 1 1 409.1758 *409.1791* 409.1791@2.1833804 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.1791 *409.1995* 409.1995@1.2016466 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.1995 *409.2299* 409.2299@1.1384578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.2299 *409.2374* 409.2374@1.1905622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.2374 *409.2486* 409.2486@1.1181455 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.2486 *409.2829* 409.2829@1.0376405 1 1 1 1 1 1 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 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1754 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.2829 *409.2878* 409.2878@1.0487778 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.2878 *409.2987* 409.2987@1.0737337 1 1 1 1 1 1 1 1 1 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 1 409.2987 *409.3143* 409.3143@1.2071736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1058 1 1 1019 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.3143 *409.3186* 409.3186@1.2037723 1 1362 1 2598 2287 2202 1 1 2911 1722 1 1 1 1 1 1 1096 1 2030 2240 1 1 1 1804 1 3024 1 1 1 2393 1 1 1 1 1 1 1 1 1 1277 5920 6133 1 1437 1 1315 1 1 1 1 1 1 1501 1 1 1 1 1826 3900 4620 1982 2192 1 1 1 1 1 1262 1 1566 1 1 1204 1324 1 1 1 1 1 1 5830 5123 4099 3764 1 1 1 2488 1310 1 409.3186 *409.3302* 409.3302@1.2054437 1 1 1 1 1 1 17062 16462 1 1 1 1 3092 2543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3685 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.3302 *409.4655* 409.4655@2.784584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3050 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.4655 *409.8449* 409.8449@5.568915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1048 1 1 1 1 409.8449 *410.0411* 410.0411@1.5166912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4804 1 1 1 1 1 1 1 1 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 11080 1 1 1 410.0411 *410.043* 410.043@1.5165433 1 4136 1 1 6929 1 7790 1 1 1 1 8613 1 1 1 1 1 6117 1 1 1 7202 1 1 1 1 6319 1 1 1 1 1 8690 8793 1 1 1 1 1 1 1 1 7964 1 2544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8432 1 1 9654 1 1 1 1 1 1 1 1 1 1 9194 10301 1 2847 1 1 1 1 11776 1 1 10486 6610 1 410.043 *410.1444* 410.1444@1.2837683 1 1 1 1 1 1 1 1 1 1 1 1 1504 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 1 1 410.1444 *410.1764* 410.1764@2.180376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9772 9070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.1764 *410.2193* 410.2193@1.1338476 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15308 14011 1 1 1 1 1 1 1 1 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 4212 1 1 1 1 1 1 1 1 1 1 2451 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2193 *410.2633* 410.2633@1.0757924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2633 *410.2636* C15 H38 N8 O S2 4962 1 1 1 3874 6782 7532 4336 5681 2916 1 1 4821 3752 3844 3296 5023 7277 2891 3960 7648 4837 6999 3837 1 1 1 3271 3079 3608 5006 4937 3389 3115 1 1 2014 1 2025 1951 3095 2426 3869 7402 1 1 2312 3338 3690 3321 3451 2862 2864 3385 2360 1 3190 3115 1 2308 3035 1 5035 4964 2910 4194 2947 2601 3671 3399 4316 3431 3876 3731 2880 3390 3420 4075 6682 4578 2151 3073 3013 1 3724 3817 3582 4100 3943 4495 410.2636 *410.2691* 410.2691@1.1720426 1 1 1 1 1 1 1 1 1 1 2714 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3452 3273 1 1 1 1 1 1 1 1 1799 1 1 1 1 1 1 1 1 1 1 3566 1 1 1 1 1 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 1 410.2691 *410.2783* 410.2783@1.0298449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.2783 *410.2823* 410.2823@1.0123278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9013 9017 1 1 1 1 1503 1 3736 5289 1 1 1 1 1 1 1 1 9283 8607 1 1 1 1 1 1 1 1 2467 2376 12197 10898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1817 1 1 1 1 1 1 1 1 1 1 1 1 7182 7627 1 1 1 1 1 1 410.2823 *410.3047* 410.3047@1.2085553 1 1 1167 1454 1 1 1 1 1 1 1 1 1 1 1 1 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 1219 1 1356 1 1 1 1 1 1 410.3047 *410.3159* 410.3159@1.2033122 1 1 1 1 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 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 410.3159 *411.038* 411.038@5.6412444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1379 1 1 1 1 1 1 1 1 1 1105 1 1574 1329 1 1 1 1 1 1554 1415 1 1446 411.038 *411.15* 411.15@3.461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 411.15 *411.162* 411.162@1.7370567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4220 1 1 1 1 1 1 1 1 1 1 411.162 *411.1875* 411.1875@1.791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4614 1 1 1 1 1 1 1 1 1 1 411.1875 *411.2586* 411.2586@1.1645525 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 1 1 1 1 1 1 1 1 1 411.2586 *411.2683* 411.2683@1.0748712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1 1 411.2683 *411.2747* 411.2747@1.1863667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.2747 *411.2908* 411.2908@1.1359587 1 1 2502 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 8101 1 1 1 1 1 1 1 411.2908 *411.3029* 411.3029@1.1988335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 411.3029 *411.3122* 411.3122@1.2060243 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.3122 *411.342* 411.342@1.136304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.342 *411.3582* 411.3582@1.1507694 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.3582 *411.3649* 411.3649@1.1466894 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.3649 *411.3764* 411.3764@1.1522938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 411.3764 *412.0109* 412.0109@1.3991288 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2484 2086 1 1 1 1160 1 1 1 1 1274 1 1 1 1 1 1 1 1 1 1 1 2066 1816 2226 2236 1964 1872 1 1 412.0109 *412.1484* 412.1484@1.78 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9817 1 1 1 1 1 1 1 1 1 1 412.1484 *412.1533* 412.1533@1.7445502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18207 8947 1 1 1 1 1 1 1 1 1 1 412.1533 *412.173* 412.173@1.1773044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.173 *412.1924* 412.1924@1.0722746 1 3069 1 1 1 1 1 1 1 3243 1 1 1 1 1 1547 1 1 1 1856 1 1 1 1 1 1 1 1 1591 1 1 1 6167 5069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 2182 2023 1 1 1 1 1 1167 1 2196 1 1 1 3853 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1924 *412.1972* 412.1972@1.0707395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2039 1 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 4688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.1972 *412.2141* 412.2141@1.0738789 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 1327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1 1 1 1506 1 1 1 1 1 1 1 1 1 1574 1 1 1 1 1 1 1 1 1 1 412.2141 *412.2271* 412.2271@1.073443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 412.2271 *412.2427* 412.2427@1.1934259 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2427 *412.2484* GRAYANOTOXIN I 1 3093 1 2748 4317 1 2156 6974 1 5488 1 1 8473 3633 9952 4032 3980 1 8790 4388 1030 7436 1 3279 7283 8315 1 1 1015 1 5898 16771 10980 10233 14184 11387 7281 7419 1 1 14249 13112 8069 1 6575 3436 13059 14634 8677 9542 11016 12250 12113 13609 13919 12281 6273 13669 12757 14168 40551 37327 12204 14879 24575 27324 13189 8148 12378 13055 4620 11783 13994 14397 5394 5902 12081 4999 9099 9197 4824 5699 5531 1381 1268 3647 8290 9051 20648 20983 412.2484 *412.2491* 412.2491@1.0611142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2753 1 1 1 1 1 1 2259 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 1 412.2491 *412.2569* 412.2569@1.9701151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2569 *412.2585* 412.2585@1.0414268 8569 10377 5925 11176 10120 9906 13544 1 10003 11914 3573 12428 14162 19170 12498 13372 7413 7657 9620 1065 10731 5785 14455 15203 8092 8263 9169 9729 7955 9662 4050 8314 8615 5431 8905 4692 6217 10278 7547 6935 4486 5934 13988 10221 11659 6093 4245 8423 4745 5870 6432 6707 1 1 1 4341 6162 5962 7874 6621 5255 4848 4230 4811 4870 3981 2355 2435 4873 5023 3838 3820 6288 6030 7552 2918 4762 3924 3200 3908 7125 6324 1 10648 2751 3941 4907 6231 6772 4137 412.2585 *412.2588* 412.2588@1.4409649 1 1 1 1 1 1 2232 1 1 2958 1 1 3505 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 2494 1 1 1 1 1 1 1 1 1 1 3106 2333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1801 1 1 1 1 1 1 1 1 1 1 1 1 412.2588 *412.2599* 412.2599@1.1157151 1 1 1 1 1 1 1 1 1 1 1 4125 1194 1 1 1 1 2103 1 8122 1 6539 1 1 1 1 4136 3630 1 5509 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 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4972 1 1 1 1 1 1 1 412.2599 *412.2603* 412.2603@1.492393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2603 *412.2625* 412.2625@1.0282105 1 1 1 1 1 1 1 1 1 1 1 1 5633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5978 6579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5372 1 1 1 1 1 1 412.2625 *413.0158* 413.0158@5.6373615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1912 1 1 1 1 413.0158 *413.1225* 413.1225@1.803535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7586 7600 1 1 1 1 1 1 1 1 1 1 413.1225 *413.1313* 413.1313@1.7555492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7207 6365 1 1 1 1 1 1 1 1 1 1 413.1313 *413.2295* 413.2295@1.0444828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4012 3875 1 3201 3448 1 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2295 *413.242* C22 H37 Cl2 N3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3647 1 4302 4780 5170 1 1 4065 4102 3779 1 1 1 4791 5016 5260 1 1 4081 1 1 3401 3454 4182 3971 1 1 1 3473 1 3352 4202 4211 3425 1 1 1 3178 2914 3335 3518 3829 3783 3350 3221 3689 3878 3990 1 1 1 1 1 2577 1 2765 2257 2830 2725 3372 3347 3311 3138 2339 3182 3337 2591 2454 2564 1 2889 1 1 413.242 *413.2449* 413.2449@1.0373616 4078 1 4513 4873 5118 5370 1 4556 4858 4948 1 1 1 1 5894 5220 4027 1 4341 1 1 1 1 1 1 1 1 3985 4323 1 1 1 1 1 3962 1 3256 1 1 1 1 1 1 4256 1 1 1 1 1 1 1 3814 3674 3813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2856 3240 413.2449 *413.2672* 413.2672@1.1890885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2561 1 1 1 1 1 1 1 1 1 1 1 1 2090 1 1 1 1 2984 1 1 1 1 1 1 1 2359 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2672 *413.2698* C18 H35 N7 O4 1 1144 1 1 1 1801 1334 1338 1 1 1 1 1196 1 1365 1532 1110 1 1 1 1 1 1 1 1 1 1 1 1347 1183 1 1 1557 1 1 1953 1 1593 1 1 1647 1 1140 1244 1 1 1 2035 1 1 1611 2693 1 1886 1 4016 2146 1 2124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1546 1 1 1 2044 4528 1357 1 1381 1307 1250 1 1749 1928 2925 2384 413.2698 *413.2906* 413.2906@1.7203428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 413.2906 *413.2912* 413.2912@1.1951832 1 1 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1844 1 1 1 1 1 1 2353 3097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.2912 *413.3021* 413.3021@1.182744 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.3021 *413.309* 413.309@1.8275452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 413.309 *413.3109* 413.3109@3.6426582 1 1 1 1 1 1 1 1 3876 3963 1 1 1 1 1 1 1 1 1194 1 1 1 4298 4916 1 1 1 1 1 1 1 1 1 1 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 1903 1 1 1 1 1 1 1580 1937 1 1 1 1 1 1 1 1 1 1 3489 3003 1 1 1 1 1 1 1 1 1 1 413.3109 *413.3109* 413.3109@1.1541333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5336 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 1 413.3109 *413.314* C23 H43 N O5 8390 8063 1 1 17938 17430 14861 1 1 1 10813 11166 16075 15732 1 18059 16883 16747 22728 22519 1 14056 12829 12786 29494 27880 1 17225 19744 20134 1 67892 17502 1 9678 1 9994 10152 1 1 23214 16914 10945 12215 1 1 1 1 23913 25307 16794 16707 1 1 1 1 4588 1 1 1 24218 1 46348 1 1 19540 11625 12630 61620 3733 24874 26069 1 1 1 7170 1 37923 1 15695 1 1 1 21815 5493 1 1 1 1 20409 413.314 *413.346* 413.346@1.0754327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 413.346 *414.1107* 414.1107@2.0509224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 414.1107 *414.1155* C9 H20 Cl2 N12 O3 2066 1780 1 1 1 1 1657 1247 1782 1 1 1 1625 1605 1 1 1873 1824 1637 1688 1974 2040 2208 1 1 1 1 1 1 1 1665 1748 1 1 1 1485 1756 1631 2141 1670 1845 1 1 1265 1652 1650 1884 1733 1824 1585 2549 2668 3019 2757 1904 1999 1 1997 2309 2400 2940 2685 2367 2199 1 2261 1789 2552 1640 1 2426 2433 1 1102 1 1667 3057 3181 1981 1687 2923 2711 2284 2761 2920 2996 2353 2303 3530 3354 414.1155 *414.1297* 414.1297@1.7660465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11656 13746 1 1 1 1 1 1 1 1 1 1 414.1297 *414.1643* 414.1643@4.056217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13549 13663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.1643 *414.2054* 414.2054@1.2713751 1 1 1 1 2083 1 1 1846 1 1712 1 1 1 1804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2993 1583 1 1 1 1 1 1 1 1 1 1 1 1 287054 1 1 1 1 1 1 1 1 1 3229 1 1 1 1 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2513 1 1 2198 1868 1 1 1 414.2054 *414.2061* Met His Lys 2931360 3004197 2722347 2715274 3364852 3340808 2967723 2970524 3413609 3433492 2686291 2713867 2698248 2666695 3928550 3930628 3431930 3428529 3624821 3635547 3833466 3812811 2811679 2804636 3357364 3370587 3051532 3059188 3544562 3545626 3414678 3379292 4476606 4420270 2944472 2914024 2748553 2760843 2757477 2785995 4311497 4303304 2611270 2615832 2361703 2381071 2980791 2692125 3524523 3531179 3712427 3720466 3079074 3057993 3484507 3478110 2913419 2936813 3652791 3668876 3611945 3587893 3015079 3327909 3546369 3555930 2988436 2984947 2554997 2544929 3208189 3222834 2696273 2660434 2316800 2301364 3221555 3215826 2925083 2705573 2263419 2483899 3371843 3342092 2348200 2359160 2842508 2849803 2646886 2652111 414.2061 *414.245* 414.245@3.8784173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 414.245 *414.2467* C18 H38 O10 1 1 248067 253064 152023 157430 111153 110345 107110 109335 92188 90345 258241 264841 1 1 1038526 1034663 105520 102149 1 1 1 1 134172 133214 203238 208755 151865 152561 200604 199230 1 1 66220 64963 103201 102302 1 1 79191 2109 157903 160764 219772 218651 105171 105412 1 1 1 1 1 1 1 1 1 1 1 1136 167546 164935 76937 79743 1497 2072 1 1 217362 219318 177059 178022 1 1 1 1 170623 2902 500692 500489 1 1 1 1 1 1 1 1 1 1 414.2467 *414.2549* 414.2549@4.687067 1 1 1462 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1230 1 1 1 1 1 1 1042 1205 1 1 1 1 1 1 1 1 1 1 1 1 414.2549 *414.3071* 414.3071@1.1819321 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 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 1 7979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.3071 *414.3138* 414.3138@1.1857592 1 1 1 1 1 1 1 1 1 1 1 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.3138 *414.3731* 414.3731@1.0852535 1 1 1 48473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64125 1 1 1 1 1 1 1 1 1 1 1 1 16401 414.3731 *414.3821* 414.3821@4.8420877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.3821 *414.6259* 414.6259@1.0939091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.6259 *414.6795* 414.6795@1.0735838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.6795 *414.7074* 414.7074@1.0984364 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 10888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.7074 *414.7257* 414.7257@1.1120468 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4491 1 1 1 1 1 1 1383 1 1 1 1 1 1 1 1 1214 1 1 1 1 1 1 1 1 1 1 1 1 1 414.7257 *414.73* 414.73@1.0938557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 414.73 *414.7355* 414.7355@1.1050802 1 1 1 5743 1 1 1 1 1 1 1 1 1 1 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 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 1 1 3534 1 1 1 1 1 1 1 1 1662 1 1 1 1 1 1 1 1 1 1 414.7355 *414.7453* 414.7453@1.1087934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6021 1 1 1 1 1 1 1 1254 414.7453 *414.7656* 414.7656@1.1074152 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4310 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 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 1 414.7656 *414.7687* 414.7687@1.0998552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6071 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.7687 *414.777* 414.777@1.1005255 1 1 1 1 1 5906 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 1 1 1 1 1 1 1 1 1 5991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2631 1 1 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1 3121 1 1 1 414.777 *414.7873* 414.7873@1.0681224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.7873 *414.7991* 414.7991@1.0699228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5261 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.7991 *414.8136* 414.8136@1.0847082 1 1 1 4751 1 1 1 1 1 1 1 1 1 1 8014 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 5985 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.8136 *414.8184* 414.8184@1.0893284 1 1 1 1 1 1 2667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3146 1 1 1 1 1 2876 1 1 1 1 1 1 1 1 1 1 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 1 1 4090 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.8184 *414.8232* 414.8232@1.0930432 1 1 5036 1 1 9781 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 6777 1 1 1 2008 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3134 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 1481 414.8232 *414.8329* 414.8329@1.0931097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1956 1 1 1 1 1 1 1 1 414.8329 *414.8435* 414.8435@1.0977818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7262 1 1 1 5100 1729 1 414.8435 *414.8552* 414.8552@1.0842143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 3949 2023 1 1 1 8965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.8552 *414.8681* 414.8681@1.0879908 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.8681 *414.8745* 414.8745@1.0912977 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 2306 1 1 1 1 1 1 1 1 1 1910 1 1 6851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.8745 *414.8793* 414.8793@1.0988481 1 1 1 1 1 1 1 1 1 1 6388 1 1 1 1 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 1 4038 1 1 1 1 1 1 1 1 1 1 1 2426 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1114 1 1 414.8793 *414.8908* 414.8908@1.094272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1877 1 1 1 1 1 1 1 1 6470 1 1 1 1 1 1 1 1 1 1 1 7816 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 2816 1 2500 1 1 1 1 1 1 414.8908 *414.9011* 414.9011@1.0700979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.9011 *414.9118* 414.9118@1.090777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5746 3255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.9118 *414.922* 414.922@1.1015359 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.922 *414.93* 414.93@1.1039349 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2526 1 1 1 1473 1 414.93 *414.9378* 414.9378@1.075771 1 1 1 1 1 1 1 1 1 1 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 1743 1 1 1 1 1 1 1 1 1 1 1 1 414.9378 *414.94* 414.94@1.0943497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7121 1 1 1 1 1 1 1 1 1 1750 1 1 1 1027 1 1 1 1664 1 1 1 1 1 1 1 414.94 *414.951* 414.951@1.0855775 1 1 1 1 1 1 1 1 1 1 1 1 1 3580 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.951 *414.9588* 414.9588@1.0891728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6951 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 1 414.9588 *414.9746* 414.9746@1.0889733 1 1 1 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 1 1 1 1 1 1 1 1 1 2089 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 4880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.9746 *414.9773* 414.9773@1.0814637 1 1 1 1 1 4500 1 1 4814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.9773 *414.9841* 414.9841@1.0928241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8241 1 1 1 1 1 1 1 1 1 1 1 1 4486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.9841 *414.9978* 414.9978@1.087057 1 1 3343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4277 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 4523 1 1 1 1 1 1 1 1 1383 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 1 414.9978 *415.0038* 415.0038@1.0976831 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 4000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.0038 *415.0073* 415.0073@1.0945425 1 1 1 1 1 1214 3908 1 1 1 1 1 2586 1 1 1 1 1 1 1 1 1 1 1 1 1 4743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2489 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 2200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.0073 *415.0175* 415.0175@1.0799079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.0175 *415.0349* 415.0349@1.0912197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 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 1 1 1 7466 1 1 1 1 1 1 415.0349 *415.0468* 415.0468@1.0885777 1 1 1 1 4028 1 1 1 1 1 1 1 1 1 1 1 1 3150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3454 1 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2535 1 1 1 1 1 415.0468 *415.0694* 415.0694@1.1255776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.0694 *415.1137* C19 H29 N O S4 3317 3471 2154 1968 1364 1502 2449 2594 2651 3049 2206 1972 3613 3746 2029 2525 3808 3805 3052 2588 4056 3395 4409 4315 2125 1972 2115 2286 1448 2136 2635 2984 1 1 2811 2830 3045 2494 2780 2604 3346 2920 1916 1 2594 2795 2279 2347 3165 2528 5507 4903 5240 5957 3630 4069 2676 2983 5179 5040 5544 6530 4356 4804 4778 4675 3005 3939 2373 2200 4526 4604 2135 1947 2236 2969 7394 6265 4863 3927 6940 5147 4903 5782 6784 6952 3992 3950 7779 9068 415.1137 *415.1654* 415.1654@3.273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.1654 *415.1667* 415.1667@3.2405221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4192 2454 1 1 1 1 1 1 1 1 1 1 415.1667 *415.1886* 415.1886@6.947226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1293 1 1 1611 1869 1 1 1017 1224 1 1 1 1 415.1886 *415.2065* 415.2065@6.873024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1542 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2065 *415.2136* 415.2136@1.2079835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2136 *415.2205* 415.2205@2.240154 4750 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 7515 7404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6243 6257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1 1 1 1 415.2205 *415.2215* 415.2215@2.425849 2687 2455 1 1 1 1 1 1 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 3489 1 1 1 1 1 1 1 1 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 3001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2215 *415.2339* 415.2339@2.2487597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2692 1 1 3059 2579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2339 *415.2411* 415.2411@2.243029 1 1 2980 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1833 1016 1 1 1 1 1 1 1 1 1 1 1 1 2296 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 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2411 *415.2422* 415.2422@2.0874155 1 1 9566 8809 1631 1 1 1760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3178 3873 1257 1 1 1 7693 7582 1 1 1 1 1 1 1 1 1 1 1 1 9226 8639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2592 1 1 1 1 1986 1 1 7231 6885 1306 3046 1 1 1 1 6331 5801 1 1762 1 1 1 1 1 1 1 1 1 1 415.2422 *415.2636* 415.2636@0.91803575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 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 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2691 1 1 1 1 1 1 415.2636 *415.2923* 415.2923@1.2027807 1 1 1 1 1 1 1 1 1 1 1738 2360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4780 3424 1 1 1 1 1 1 1 1 1 2026 1 1 1 1 1 1 3287 2660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.2923 *415.3021* 415.3021@1.2058119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.3021 *415.3089* 25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydro-19-norvitamin D3 / 25,26-epoxy-1alpha-hydroxy-23 2338 2205 1 1 1618 1302 14308 13585 2123 2216 6727 9669 1300 1 1 1 1 1 2216 2549 1 1 1 1 1 1 2705 3267 1 1 2830 3179 1 1226 10678 10052 21508 21029 1 1020 1 1 1 1 6706 6609 2488 2250 1 1367 3087 3032 1095 1 10468 7656 1 1 1 1 1749 1931 1 1 16933 17099 5280 4788 1 1 9458 12788 5445 5415 5461 5296 1 1 4073 4227 1 1 5602 5271 2314 2291 4383 3993 1 1 415.3089 *415.3174* 415.3174@1.2095324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1287 4412 5082 1 1 1 1 1 1 415.3174 *415.3434* 415.3434@4.6057043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.3434 *415.4517* 415.4517@1.0856215 1 4603 4551 5639 1 1 5681 5785 7522 2336 5269 1 1 1 10073 1 8321 6797 1 1 1 8867 3943 6813 1 7330 6274 4269 6992 4178 6577 1 12016 1 5558 6223 5777 5152 1 1 1 12207 5445 3229 4894 4342 1987 4360 1 1 1 1 7565 4423 1 9602 1 4366 9800 1 7391 5119 1 7289 9464 8062 1 1 1 6427 1 1 1 1 1 2449 6334 1 1 1 1 5224 1 6735 1 1 1 5696 7010 1 415.4517 *415.4548* 415.4548@1.0826321 6447 1 1 1 6343 1 1 1 1 5413 1 1 1 5292 1 8205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6785 1 10489 1 1 1 1 1 1 8269 1 1 1 1 1 1 1 1 1 7196 1 1 1 1 1 8326 1 1 11364 1 1 1 1 1 1 5232 1 1 1 1 1 5808 6571 1 1 1 1 1 1 1 1 1 1 1 4596 3093 1 1 1 415.4548 *415.47* 415.47@1.102587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2192 1 1 1 415.47 *415.4877* 415.4877@1.1187652 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.4877 *415.496* 415.496@1.093822 1 1 1 1 1 1 1 3017 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.496 *415.6261* 415.6261@1.0917221 1 1 1 1 1 1 1 1 1 1 1 1 3809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.6261 *415.6749* 415.6749@1.0963933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.6749 *415.6891* 415.6891@1.0779998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.6891 *415.709* 415.709@1.0826116 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 3509 1 1 1 1 1 1 1 1 1 1 1 1 1 415.709 *415.7163* 415.7163@1.0899945 1 1 1 1 1 1 1 1 1 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6801 1 1 1 1 1 1 1 2344 1 1 1 1 1 1 1 1 2449 1 1 1 1 1 5645 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 1 1 1 1439 1 1 3513 1 1 1 1 1 415.7163 *415.7262* 415.7262@1.0889485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1503 1 1 1 3512 1 1 1 1 1 1 1 1 1 1 1 1 3160 1 1 1 1 1 1 3270 1 1 1 1 5453 1 1904 1 1 1 1 1 2928 1 1 1 1 1 1 1 1 1 1 2210 1 1 1 1 1 1 415.7262 *415.7401* 415.7401@1.0899855 1 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1160 1 1 1 1 1368 1 1 1 1 1 1 4401 1 2057 415.7401 *415.7557* 415.7557@1.0866101 1 1 1 1 1 1 1 2041 1 1 1 1 1 1 1 1 1 1 1 2446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3415 1 1 1 1 1 1 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 1240 1 2645 3338 1 1 1 1 1 1 1 1 1 1 415.7557 *415.7621* 415.7621@1.0866243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3071 1 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 1 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 1 415.7621 *415.7711* 415.7711@1.0861923 1 2352 2219 1 1 1 1 1 1 1 1 1 4233 1 1 1 1 1 1 1 1 2940 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5104 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3713 1 1 1 1 3773 1 1 1 1 1 1 1 415.7711 *415.7894* 415.7894@1.0860001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3881 1 3240 1 1 1536 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 1748 1 1 1 1 1 1 1 1 1 1 5207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 415.7894 *415.8044* 415.8044@1.0936044 1632 1 1 1 1056 1 1 1 1 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 1 1 1 3063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2822 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 1 415.8044 *415.8089* 415.8089@1.0755066 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.8089 *415.8151* 415.8151@1.0942781 1 1845 1 1 1 1 1939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3168 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 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 3312 1 1 1 1 1 1 1 1 1 1417 1 1 1 415.8151 *415.8338* 415.8338@1.0957288 1 1 1 1 1 1 1 1664 1850 1 1739 1 1 1 1 1 1 1 1 1 1683 2583 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1327 1 1 1 1 1 1403 1 1 1 1 1 4461 1 1 1 3602 1 1 1 1 1 1 1 1 1 1355 1 1 1 1 1 1 2228 1502 1 1 1568 1 1 1 1 1181 1 1 1 1 1 1 1 1 1 1 1 415.8338 *415.835* 415.835@1.0911813 1 1 1 1 1 1 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 1 1 1893 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 4778 1 1 1 1 2614 1 1 1 1 1 1 1721 1 1 1805 1 1 1 1 1 1 1 1 1 415.835 *415.8476* 415.8476@1.0865496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2672 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 4029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.8476 *415.8727* 415.8727@1.0834415 1 1482 1894 1 1 1 1 1 2380 1 1 1 1903 1 4170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1343 415.8727 *415.8782* 415.8782@1.0980635 1 1 1 1 1 1 1 1 1 1 1 1893 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 415.8782 *415.8855* 415.8855@1.0878948 1 1 1 1 1477 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 1 3920 1 1 1 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 1 415.8855 *415.8941* 415.8941@1.0938605 1 1 1 1 1 1 1 1 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 2457 1 1 1 1 1 1 4826 1 1 1 1 1 2719 1 1 1 3304 1 1 1 1 1 1 1 1 1 1 1 415.8941 *415.9009* 415.9009@1.090381 1 1 1 1 1 1 2464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1 1 1377 2272 1 1 1 1 1 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 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.9009 *415.912* 415.912@1.0844109 1 1 1 1 1 1 1 1 2490 1 1 1 1 1 1 1 1 1 1 1 1 1520 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 3458 1 1 1 1 1 1 1 1 1 1 415.912 *415.9228* 415.9228@1.07794 1 1 1 1587 2203 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 2597 1 1 1 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 1 415.9228 *415.9262* 415.9262@1.0781947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.9262 *415.9262* 415.9262@1.1152031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.9262 *415.9347* 415.9347@1.0953382 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 1486 1594 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 1493 1 415.9347 *415.9375* 415.9375@1.0838052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.9375 *415.9498* 415.9498@1.0961256 1 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 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 415.9498 *415.9584* 415.9584@1.0786601 1 1 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 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 1334 1 1 1 1 1 1 1 1 1 1 1 415.9584 *415.9673* 415.9673@1.09293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2191 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 415.9673 *415.9766* 415.9766@1.0977786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 2599 1 1 2503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.9766 *415.983* 415.983@1.0945675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1191 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 2102 1 1 1 1 1 1 1 1 1 1 415.983 *415.9972* 415.9972@1.083655 1 1 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 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1997 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 415.9972 *416.0026* 416.0026@1.108377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 416.0026 *416.0109* 416.0109@1.085067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1 1 1 1039 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 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 1 416.0109 *416.0204* 416.0204@1.0851605 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.0204 *416.0263* 416.0263@1.083803 1 1371 1 1 1 1 1 1 1 1 1150 1 1 1 2938 1 2039 1 1 1 1 1 1 1 3439 1 1 1 1893 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 2391 2036 1 1 1 1 1 3184 1 1 1 1 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 416.0263 *416.0337* 416.0337@1.0900182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1721 1 2022 1 1 1 1 1 1 1 1 1 1 1 1 1 416.0337 *416.0468* 416.0468@1.1040682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.0468 *416.0644* 416.0644@1.0879582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2380 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 1 416.0644 *416.0887* 416.0887@1.0764412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 416.0887 *416.1092* 416.1092@1.0757066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.1092 *416.2133* 416.2133@1.1863667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 416.2133 *416.3272* 416.3272@4.4222527 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 1 1 1 1 1 1 1 1 1 1 1 1 2656 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 4342 1 1 1 1 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3272 *416.3307* 1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol 8923 9290 12300 10147 8395 12209 10816 11835 1 11865 6882 9258 11029 8869 12158 11642 11048 8460 6025 12830 8359 4427 10210 10246 13828 10709 12945 12075 13541 5351 7087 12812 13992 12552 10307 9628 5852 9698 9258 11382 1 7129 9101 7768 9036 7443 9052 9164 1 8809 11399 8541 1 7031 13222 5768 9821 10205 9612 5175 8352 13424 5087 11756 12165 11701 8007 8375 7155 11596 15093 1 7773 9542 8789 10771 13951 12593 14348 9833 5503 10264 11258 13120 8295 6903 7755 8999 7636 11956 416.3307 *416.3331* 416.3331@1.083451 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 416.3331 *416.3362* 416.3362@1.4181132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 416.3362 *416.3364* 416.3364@1.0151467 1 1 1 1 1 1302 1 1 1 1 1 1 1 1 1 2091 1 1 1 1 1 6510 1 1 1 1 1996 2784 1 1 1 1 1 5455 1 1 1 1 1653 1 1 6715 3724 1 1 1 1 1 1 1 1 1 1 2155 1 1 1 1 1268 1 1 1 1 1 1 1439 1950 1 1 1 1 1 1 1 1 1 1 1 1 1914 1 1 1515 1 1 1 1 1 1 1 416.3364 *416.3366* 416.3366@3.0819826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1630 1 1 1 1 1 1 1 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3366 *416.3368* 416.3368@2.0799613 1 1 1 3712 1 1 1 1 1 1 1 2657 1 1 1840 1894 1 1 1 1 1 2123 1 1 3449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2942 1 1 1 1 1 1 1 2032 1 1 1 1 1 1 1 1 1 1 1 2904 3145 1 1 2164 1 1 1 1 2616 3045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3368 *416.3368* 416.3368@1.2955428 1 2765 1 1 1 1938 1 1 1 1 1 1 1 1 5321 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 2344 1 1 1 1 1 1 1 1982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2405 4162 2733 1 1 1 1631 1 1 1 1 1 1 1 1 1 1320 1 1 1 1326 1 1 1 2598 1 1 2123 2070 3398 1 1 1 416.3368 *416.3368* 416.3368@1.4651576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3368 *416.3369* 416.3369@0.7814603 1 1 1 2709 1 1959 1 3577 3912 1 2167 1 1 1 1 1454 3073 1 1969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2206 1 1 1 1 1 2430 1 1 1 1 1 1 1 1 1 1 1724 2708 1 2206 1 1 1 3081 1 1 1 1 1 1 1618 1834 1 1 1766 2037 3019 4750 4541 1 1 1 1 2134 2568 1 1 1 1 1 1 1 1 1 1 416.3369 *416.337* 416.337@2.8032088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6313 1 1 1 1 1 1 1 1 1 1 1 1 1 2935 1 1 1 1 2897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1956 1 1 1 1 1 1 1 1 416.337 *416.3372* 416.3372@2.934196 1 1 1 1 2720 1 1 1 1 2149 1 5309 1 1 1 1 1388 1 1 1 1 2407 1 1 1 4817 1 1 1 1 2778 1 1 1 1 3360 1 1 1 6885 1 4898 1 1 1599 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 1 2151 1 1 7177 1 1 2574 1 2500 1 1 1 1 1 2186 5614 1 1 1 1 1 1 1 1 1 1537 1 1 1 2652 416.3372 *416.3372* 416.3372@1.8760896 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 1 1 1 1 1 1 1 1 1 1 2323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.3372 *416.3374* 416.3374@0.6696543 1 1416 1 1711 1 3314 1 1 1 1 1 3866 3986 4712 1 2217 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 6004 1 1 1 4366 1 1 1 1 1 1243 1 1 1 1 1 1 1 1 1 2473 1 2090 1 3152 1 1 1 1 1954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4849 1 1 1 1 416.3374 *416.3375* 416.3375@1.6263448 1 1 3363 1 1 1 1 1 1 2725 2086 1 1834 1 1 1 1922 2703 1 1 1 1 1 1 2637 1 1 1 1 1 1 2372 1 1 2555 1 1835 1 1715 1 1 1 1 1 1997 1 1 1 1 1 1 1 2464 2258 1 1 1 2958 1 1 1 1 1 1 1 3062 1 1 1 1 1 1 1633 1 1 1643 1 1 1 1 1 1 1 1 1 4070 1 1 1 1 416.3375 *416.338* 416.338@2.467615 1 1 1 1 1 1 1 1 1 1425 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.338 *416.4411* 416.4411@1.109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 416.4411 *416.468* 416.468@1.0826222 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 1242 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 1 416.468 *416.4773* 416.4773@1.083457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.4773 *416.4927* 416.4927@1.0833418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 416.4927 *416.7241* 416.7241@1.083 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 416.7241 *416.7416* 416.7416@1.082114 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 416.7416 *416.7797* 416.7797@1.0844591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 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 1 1 1 1 1 1 1 1 1 1 1 416.7797 *416.8022* 416.8022@1.0846739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.8022 *416.8292* 416.8292@1.0751178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.8292 *416.8443* 416.8443@1.0833217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 416.8443 *416.8551* 416.8551@1.0874985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.8551 *416.8753* 416.8753@1.0836805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.8753 *416.9129* 416.9129@1.0805832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 416.9129 *416.9509* 416.9509@2.0928924 1 1048 1335 1484 1880 1744 1993 1718 1 1 1442 1 1 1 1 1 1 1390 1 1 1258 1 1 1 1 1 1 1683 1 1 1 1411 1 1 1 1636 1 1 1 1 1 1 1 1708 1 1 1302 1359 1 1 1 1 1 1 1 1 1543 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1740 1726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.9509 *417.0355* 417.0355@1.0746541 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.0355 *417.0737* 417.0737@1.738065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8482 1 1 1 1 1 1 1 1 1 1 417.0737 *417.0754* 417.0754@1.7710918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6791 1 1 1 1 1 1 1 1 1 1 1 417.0754 *417.1562* 417.1562@5.866739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1897 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.1562 *417.223* 417.223@1.2167615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.223 *417.2595* 417.2595@4.152236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4917 5035 1 1 1 1 1 1 1 1 1 1 417.2595 *417.2603* 417.2603@2.9646225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3607 3294 1 1 1 1 1 1 1 1 1 1 417.2603 *417.3004* 417.3004@1.2021943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 417.3004 *417.3165* 417.3165@1.1951468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 417.3165 *417.3343* 417.3343@1.0828431 1 1 1 1 1 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 3227 1 1 1 1 1 1 1 1 1 1 3907 1 1 1 1 1 1 3193 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 1 417.3343 *418.0708* 418.0708@1.7635479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16212 17319 1 1 1 1 1 1 1 1 1 1 418.0708 *418.0792* 418.0792@2.81893 1349 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 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0792 *418.0801* 418.0801@2.0828586 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.0801 *418.0981* 418.0981@5.6452026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 418.0981 *418.1298* 418.1298@2.9730046 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 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1807 1951 1 1 1 1 1 1 2602 2468 1 1 1 1 418.1298 *418.1707* 418.1707@1.1966238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.1707 *418.1822* 418.1822@1.2032055 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.1822 *418.2214* 418.2214@1.1246629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 34893 37519 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 1 418.2214 *418.2223* 418.2223@1.2394669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20896 10179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2223 *418.2383* C25 H38 O S2 1 1357 1 1 1 1 1595 1 1 1 1 1 1 2221 3097 3612 1 1 2273 2347 1 1 1 1182 1 1 1 1 1 1 6044 7114 2936 3141 4013 4446 1 1 2310 2825 2759 2775 1 1 1 1 4025 4255 1 1 2480 2701 2611 2904 2986 2922 6594 4303 3155 2517 6403 7230 3242 3004 7370 8634 5168 4565 1 1 2736 2278 4415 4425 4466 3672 3568 3253 2564 2541 1 1 1 1 2377 1 2186 2192 10446 10709 418.2383 *418.247* 418.247@1.1650252 1 1 1 1 1 1582 1 1 1 1 1 1 1 1 1 1 1 1564 1 1 1 1 1 1 1339 1399 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 2313 1 1 1 1 1 1 1 1 1 1 1 1 1684 1 1 1525 1 1 1 1 418.247 *418.2746* 418.2746@1.1289186 1 1 2146 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 1573 1568 1 1 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 1 1 1 1 1 1 418.2746 *418.2764* 418.2764@1.2054163 1 1 2100 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2764 *418.2846* 418.2846@1.1100562 1 1 1 1 1 1 1 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 1 1 1 1 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 1 418.2846 *418.3072* 418.3072@2.9835494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2934 1 1 1 1 1 1523 1 1 1 1 1 1 418.3072 *418.3084* (24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol + 2.8750935 3191 1 3041 1 3922 1 1 2477 4227 3475 2993 3976 2372 3578 2783 2991 4022 2927 2414 1 2492 2713 1 2642 1 1750 2349 1 1106 1276 2408 2970 2261 2559 2839 3468 1 1 2744 1733 1 1 1 1 1 2944 2362 1 1 1 1243 1 1 1 1098 1 1 1 2731 1 1 1 1 1 1 1 1 1 1 3199 1 4139 3141 1 1896 1 1 3098 1 1 1 1237 4753 3042 3937 1850 2509 1 1299 1 418.3084 *418.3085* (24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol + 2.0631058 1 2857 1590 1 2140 1 1 1 1 2490 4546 1 1 1 3247 1878 1 1336 2000 1 2088 1 1008 1 2427 1 1 1293 1646 1 3233 1010 2303 1315 1901 1 2313 1 1526 1 1 1 1450 1301 2402 1 1 1 2043 1 1 1 2021 2533 2048 1 1 1 1 1 1 3237 1 1750 1 1674 1896 1 1 1 1 3255 1803 1525 1146 1 2236 2996 1438 2146 2305 2428 1 1 2288 2074 1 2107 1939 1402 418.3085 *418.309* 418.309@0.88529396 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 2103 1 1 1 1 1 1 1 1 1 1 418.309 *418.3099* 418.3099@1.4360685 1 1 1 1 1 1 1164 1 1 1 1 1 1451 2975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.3099 *418.3104* (24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol 103183 1 3364 4354 2883 4340 1 4402 5949 3613 2920 2914 5422 3496 4776 3137 1 3932 2887 2693 3550 4111 3452 2973 5400 1641 4314 1 4313 3737 3691 3777 1 3195 1 2119 3210 2357 2969 2724 3396 2787 4461 2783 4776 3240 2275 3758 3350 4171 2982 2548 2411 2762 1 1 2199 3183 3541 1 1655 1 5129 6633 2425 3969 4141 3900 1 2309 1 1 4426 1580 1 2755 1 3741 3176 2389 6698 7563 5218 6457 2104 3327 1718 1 8121 8576 418.3104 *418.3109* 418.3109@2.082315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2219 1 1 2563 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 2018 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.3109 *418.311* 418.311@2.2950017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 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 1 418.311 *418.7676* 418.7676@4.708411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1249 1807 2248 1717 1738 1514 1 1790 1364 1225 1333 1 1 1 1 1240 1088 1 1 1477 1543 1 1 1 1 1065 1 1336 1308 418.7676 *419.0264* C18 H9 N7 O2 S2 2582 2382 2523 2412 1 2546 2487 2431 2341 2539 2611 2258 2430 2604 2762 2634 2450 2187 2442 2344 2794 2588 2547 2690 2366 2347 2266 2279 2168 1988 2527 2199 1 2868 2300 1922 2255 2397 2281 2757 2257 2715 2435 2500 2281 2507 2289 1974 2092 2237 2817 3365 2776 2492 3075 3023 2616 2401 2553 2661 3995 3606 2749 3019 3110 2670 3734 3401 2638 2401 3620 4014 2497 2354 3148 3277 3329 3832 3514 3293 3587 3837 3691 3553 3254 4134 3248 3138 3242 3257 419.0264 *419.0753* 419.0753@2.0267682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1035 1 1 1064 1 1 1 1 1049 1243 419.0753 *419.1188* N-Didesethylquinagolide sulfate 3772 3932 3992 3914 3454 3385 3703 3874 3775 3936 4053 4318 3789 3602 5059 4045 4291 4207 4768 4594 5634 5975 5329 4314 3788 4428 5993 3960 3796 3972 4540 6097 6073 5916 1 4450 4834 7316 4619 6409 6038 4755 4531 4242 4035 3937 4104 4125 3903 4003 1 4339 6148 3816 4240 5495 3551 5498 4830 4386 5324 4913 4758 7095 4471 4690 5428 5296 6970 6243 5212 4970 5757 5577 4287 6328 5313 4459 4592 4253 7008 4651 4599 4699 4948 6780 4270 4841 4973 7333 419.1188 *419.2323* 419.2323@1.2027668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.2323 *419.2796* 419.2796@6.6521163 1 1 2773 1906 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1730 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 419.2796 *419.3173* 419.3173@1.1775838 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3173 *419.3227* 419.3227@2.2100081 1 1 1 1 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 3228 1 1 1 3706 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2959 1 1 1 1 419.3227 *419.3231* C18 H41 N7 O4 + 2.0769687 10104 1 1 7375 1 9233 7738 4999 1 4905 3534 9806 1 4005 1 1 3761 10818 4312 2120 1 1609 1 3882 1 2541 1 3104 5500 6439 1 1 4239 2396 1 1 1824 1 2851 1 8334 1 1 8144 1 1 1 5539 13994 1 13619 5233 6215 5080 10040 1 9003 1 1 1 11267 6250 5062 5660 3722 4808 1 1 9459 1 1 1 1 1 2152 1 1 1787 1 2395 1 1 1 1 1 3109 4714 1 9275 1 419.3231 *419.3231* 419.3231@1.7939162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3299 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6026 1 2110 1 419.3231 *419.3232* C18 H41 N7 O4 1 1 1 1 5924 4435 1 1 11763 1 2558 1 6922 1 8761 1 4253 7833 8862 1 6524 15310 1 5885 7887 5188 1 9703 4134 4868 1 6489 2901 1 5039 4660 4918 3869 10693 1 1 1 3624 1 9367 10208 4382 19275 1 5402 1 5017 1 1 1 1 1 7526 6473 13233 4870 5771 5640 1 1 6028 11248 1 3793 1 1 8539 1 4108 1 6209 11665 8867 5358 5274 7341 6674 7466 11073 5934 10325 10557 1 12595 16482 419.3232 *419.3233* 419.3233@3.2591693 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3161 7721 1 1 1 1 1 1 1 419.3233 *419.3234* 419.3234@4.0243516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2058 1 1 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3407 1 1 419.3234 *419.3236* 419.3236@1.9288684 1 1 1 1 2604 1 1 1 1 3557 1 2424 2634 1 1 1 5293 1 1 4081 1 1 1 4441 1 2642 1 9346 1 1 1 1 1 1 8368 1 1 10535 1 1 1 1 1 5156 1 1 1 1 7886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4450 1 1 1 419.3236 *419.3236* 419.3236@1.5022178 1 1 1 1 1 1 1 1 1 1 1 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 4710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.3236 *419.3237* 419.3237@3.0498555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4597 1 1 1 1 1 1 1 419.3237 *419.3238* C19 H37 N11 1 9583 6362 7328 6189 8395 1 1 8795 1 1 1 9049 6095 7221 1 9595 3292 8336 8028 7851 1558 7593 6397 1 1 1 1 1 1 7377 2326 3476 5821 7311 8455 6078 1 7163 1 5484 1 4951 10157 1 11115 7848 1 7049 11004 4720 1 1 8814 1 1 1 1 1 1 1 1 4323 1 1 1263 3299 1 7054 1 1 1 1 9078 5907 2250 1 1 3123 1 2120 1 4549 1 1 4110 1 1 1 2448 419.3238 *419.3238* 419.3238@0.70072764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 3089 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 1 419.3238 *419.324* 419.324@1.4440291 1 1 1 1 1 1 1 1 1 1 2720 1 3838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4796 3941 1 1 1 1 1 1 1 1 1 1 1 1 6887 1 1 1 1 1 1 1 1 3405 1 1 1 1 1 1 1 4005 1 1 1 1 1 1 1 1 1 1 3510 1 1 1 1 1 1 1 1 5764 1 8750 1 419.324 *419.3242* 419.3242@2.9217186 1 1 1 1 1 1 1 1 1 1 1 1 3088 1 1 1 1 3299 1 1 1 4759 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 1 1 1 1 1 4238 1 1 1 1 1 1 1 1 1 1 1 1 2894 1 1 1 1 1 1 1 1 4383 1 1 1 1 1 1 4011 1 1 1 1 1 1 1 419.3242 *419.325* 419.325@1.2011714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3053 1 1 1 1 1 1 1 1 13456 1 1 1 1 1 1 4157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 419.325 *419.325* 419.325@1.9167291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 419.325 *419.3257* 419.3257@1.0265594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9402 1 4257 1 1891 1 1 1 1 1 9765 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 9652 1 1 1 1818 1 1 5586 1 1 3957 1 1 1 1 1 1 1 1 2395 1 1 12739 12514 1 1 1 1 1 1 1 1 419.3257 *420.0663* 420.0663@2.0211506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.0663 *420.069* C32 H8 N2 1 1020 1 1 1 1 1089 1267 1111 1278 1 1 1192 1361 1 1 1134 1243 1202 1297 1291 1193 1212 1398 1 1 1 1 1 1 1006 1 1 1 1 1 1 1190 1 1 1308 1128 1 1 1 1 1 1074 1 1 1 1532 1742 1736 1052 1 1 1 1369 1360 1380 1 1676 1201 1401 1522 1 1 1 1 1439 1368 1 1 1 1 1661 2087 1263 1070 1879 1943 1716 1911 2353 2063 1365 1094 3039 2323 420.069 *420.2157* 420.2157@1.0729688 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1814 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.2157 *420.2201* 420.2201@1.078564 4876 1 1 3728 3182 1 1 1 1 1 1 1 1966 1 1 1 1 1 1 2075 1 2124 2151 1 1844 1 1 1 1 2213 1 1828 1 1 2276 1 1 1869 1917 1 1 1 1 1 1 1 1 1 1 1 1 2198 1 1 2861 1 1 1 1 1746 2932 1 1746 1 2117 1 1 1 1 1 1774 1 1 2164 1 1 1581 1 1 1 1789 1682 1 1 1 1 1 1609 1 1 420.2201 *420.3045* 420.3045@1.1489192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.3045 *420.3211* 420.3211@1.0585197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 420.3211 *420.3241* 420.3241@1.1111863 1 1 1 1 1 1 1 1 1 1 2791 1 1 1 1 1 1 1 1 1703 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 3387 2633 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 420.3241 *420.3303* 420.3303@5.0416427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2219 1 1 1 1 1 1 1 1607 1 1 1 1 1 420.3303 *421.1158* 421.1158@4.042729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1386 1 1 1 1346 1143 1 1 1 1 1 1 1 1 1 1 1 1 1759 1 1 1 1 1694 1 1 1 1 1760 1 1 1 1 1 1 1 1 1 1733 1 1551 1 1 1 1612 1 1 421.1158 *421.1864* 421.1864@1.0495851 1 1 1 1 1 1 1 1 1 1 1 1 2483 1 1 1 2214 1 1 1 1 2045 1 1224 1 1 1 1 1 2217 1 1 1 1 1668 1097 1 1 1 1 1 1 1 1791 1 1 1 1590 1 1658 1 1 1 1 1751 1779 1 1 1 1 1 1 2810 1 1543 1545 1 1298 1 1 1 1631 1 1442 1 1 1 1 1303 1 1 1 1804 1 1 1 1 1656 1 1 421.1864 *421.1921* 421.1921@1.0484663 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 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 1 421.1921 *421.2778* 421.2778@1.077266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 421.2778 *421.2851* C22 H39 N5 O S 1394 1 2921 2473 1 1 1838 1662 1 1 12798 1 1843 1 1 6203 26519 25334 1461 1578 68304 2988 1643 1236 3730 3564 12598 1 3821 1 1 33155 1 1 2257 2561 22504 1 1 1 1 4364 3695 1 15485 14048 1502 1 1 1 1 1 1375 79631 4611 3751 1 8012 1 1 1 1 1 1 36868 1 1199 1381 1 1 1 1 1 1 1 1 1 5818 4232 2294 5954 6915 3838 4026 2118 1 2253 1928 1 1135 421.2851 *421.2876* 421.2876@1.0544595 1 1 1 6936 1 1 1 1 1 1 10822 1 1 1 1 1 1 1 11165 1 1 1 1 35247 1 1 1 3857 1 1 1 1 1 1 10082 1 1 2077 1 1 1 1360 1 1023 1 1 1 1 1 1 1 1 80436 1 25493 24762 1 1 1 1 1507 1 1 1398 1 1 1 29499 1 3755 1 1 1 1 1 1 1 1 1 1 1 1 1 1497 1 1 31716 1 1 1 421.2876 *421.2943* 421.2943@1.0871024 2589 1953 1 1 1 1 1 2390 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4498 1 1231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.2943 *421.3039* 421.3039@1.1274406 1 1 1 1 1 1 1 1 1 1 1 1 2402 2176 1 1 1 1786 1210 1 1891 1480 2040 1 1 1509 1 1 1 1 1 1 2057 2505 2727 1513 1 1 1 3125 1 1713 1 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1548 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 1 1 1 421.3039 *421.3063* 421.3063@1.1283313 1 1 1 1 1 1550 1090 2172 1 1113 1 1 1 1 2434 1 1 1 1 1718 1 1 1 2253 1 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1277 1693 2078 1975 1 1857 1482 1 1586 1 1 1525 1 1398 1 1 1281 1 1 1 1 1 1502 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1030 1 1 1 421.3063 *421.3191* 421.3191@1.1228932 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3191 *421.3294* 421.3294@1.1208634 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3294 *421.3591* 421.3591@1.1487324 1 1 1 1 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 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3591 *421.3632* 421.3632@1.1469219 1 1 1 1 1 1 1 1 1 1688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3632 *421.3695* 421.3695@1.149933 4101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.3695 *422.255* 422.255@1.1128011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 422.255 *422.271* 422.271@5.5707316 1 1 1 1 1 1 1 3985 3676 3996 1406 3665 1 1 1 1 2376 1 1 1 1 1 1 1 1 1 1 2833 1 1679 1 1 1 1 1 1 1 1 1 1 1 1 1 6512 1 12992 1 5792 1 3755 1 1 1 3177 1 1 1090 2238 2922 1548 1 1395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4168 1802 1 1 1 1 1 1 1 1 1 1 422.271 *422.2722* C30 H34 N2 1 1 16000 15244 6517 4501 4313 1 1 1 2024 1 5727 6193 1 1 1 1 4098 5079 1 1141 1 1 9385 9143 1 1 3577 1340 12238 11164 1 1 1 1 5115 5294 3502 2904 3740 4483 6697 1 12792 1068 5439 1 3471 1029 1269 1020 5388 2004 1 1 2371 1304 1175 1149 3973 2496 3753 3799 4687 4453 1 1 14216 14321 7903 7515 1 1 1 1 5592 5449 1 1767 1 1 1 1 1 1 1 1 1 1 422.2722 *422.2777* 422.2777@1.0326108 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 1 1 1 1 1 1 422.2777 *422.2852* 422.2852@1.0359112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5204 3064 1 1 1 1 1 1 422.2852 *422.2864* 422.2864@4.1903696 1 1 1 1 1 1 2633 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 5856 1 1 1954 1 1 1 1802 1 1 1 1 1 1 1 1 1 1 1 1901 1 1150 3373 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1 1 3999 1 1 2621 1 1 1 1 1251 1 1 1 5166 4959 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 422.2864 *422.2871* C18 H42 N6 O S2 1 4202 6477 1729 4349 4493 4232 6271 5915 6176 6201 5623 9402 8416 6340 4713 7556 2887 3252 8836 1 1600 5877 1 3350 5560 5764 7161 4090 5553 1 5831 8652 3477 1 6116 7823 7558 6642 7138 3296 6862 5672 3367 6605 4821 6004 5689 5852 5386 1 3197 2064 1966 3669 6380 4861 2411 7083 6834 6793 1 3316 8380 6050 3273 1314 7375 6947 7668 6760 1 8705 1016 3733 4989 1 2253 5616 4937 7097 1 1962 2456 11049 1 1 6667 7047 10078 422.2871 *422.2877* 422.2877@1.1484617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2314 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 1667 1 1 1 1 1 1 422.2877 *422.3023* 422.3023@1.1971937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.3023 *422.3181* 422.3181@1.2115825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1070 1 1 1 1 1 1 1 1 1 1 422.3181 *422.328* 422.328@1.2067463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.328 *422.3437* 422.3437@1.2083714 1 1 1816 1867 1018 1147 1697 1672 1127 1 3150 6148 1 1151 1140 1 1 1 1978 1 1 1 1 3341 1 1 1 1 1567 1591 1 1 1264 1 1342 2439 4991 6187 1 1 7772 1 1 1 4158 3582 1 1 1 1 1 1311 1392 1296 1 1 1 1 1504 1387 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 2340 3460 1 1 1 1 3299 1492 1 1 422.3437 *422.3483* 422.3483@1.2084016 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1747 1 1 1882 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1025 1 1 2718 1 1 1 1 1 1 1 1 1474 1 1 1 6651 7684 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1634 1793 1 1 1 1 1 1 1 1 4840 4700 1 1 1 1 1 1 422.3483 *422.7494* 422.7494@4.1690965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 3062 3113 1 1 1 1 1 1 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 1 1 1 1 3522 3990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 422.7494 *422.773* 422.773@5.5474057 1 1 5458 5493 1978 1689 1 1 1 1 1 1 2461 2102 1 1 1 1 1 1 1 1 1 1 3811 3301 1 1 1 1 4283 4644 1 1 1 1 1859 1727 1 1 1 1 1761 2647 5185 4955 1 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4921 5258 2764 2569 1 1 1 1 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 422.773 *423.0472* 423.0472@2.3545218 1 1 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 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.0472 *423.205* 423.205@1.2020284 1057 1 1 3950 1 1160 3965 1 1 5937 4542 4689 1120 1255 1 1 1 1 4720 5000 3268 1 4151 1 1 1 8055 1 1 1 1 5159 1066 2773 1 1 1 1 1 5992 1 1 4554 1 4377 1 1 1 2603 1 4634 1 1 1 4689 1 4942 4639 4912 4752 1 1 6120 6116 5542 6469 1 5803 1 1 1 1 1 1 3341 3505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.205 *423.2085* 423.2085@4.1441364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4746 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 1 423.2085 *423.213* 423.213@1.1993213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.213 *423.2417* 423.2417@4.162126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.2417 *423.2517* 423.2517@1.0721753 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 1 1 1 1 1 1 1 1 1 423.2517 *423.2644* 423.2644@4.177845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.2644 *423.2837* 423.2837@1.0921614 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8921 9181 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 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 2693 1 1 1 1 1 1 1 1398 1 1 1 1 1 1 1 1 1 1 423.2837 *423.2966* 423.2966@1.1821034 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 1 1 1 1 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 1 423.2966 *423.3061* 423.3061@1.1627662 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.3061 *423.3072* 423.3072@1.2208524 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1437 2547 1 1 1 1 1 1 1 1 3933 4154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.3072 *423.311* 423.311@1.1721911 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.311 *423.3207* 423.3207@1.2039926 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 3299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 423.3207 *423.3229* 423.3229@1.202811 1 1 1 1 1 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 14234 13193 1 1 1 1 1 1 1 1 1 2930 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 1 423.3229 *423.3323* 423.3323@1.2025228 1 1 1 1 1 1245 2523 2470 1 1 9984 10895 1 1646 1592 1589 1 1023 1 1 1 1 1 1 1 1 13399 12530 1 1 1 1 1 1 2156 2608 1 1 1091 1 3350 3430 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1528 1 1 1 1 1 1 1 1 1 1 1 2011 1065 1 1 1 1206 1 1078 1 1 1419 6120 5117 1 1 1 1 1861 2285 1 1 423.3323 *423.3544* N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine 4651 1 4266 3633 1103 1 1 1 8278 5951 1 1 2174 1 1 1 1184 1 3738 3447 1537 1872 3928 5908 1 1 1 1 6363 6464 3224 3026 1256 1173 1 1 1 1 1 1 1 1 7444 7463 1 1 1064 1 1 1 1558 1 1550 1 1 1 1273 1 7072 6600 1 1995 1053 1220 2447 2264 4759 4743 1 1 1 1 1668 1596 1 1 1 1 1 1 1 1 9635 6905 1053 1 1 1 2605 2070 423.3544 *423.48* 423.48@2.775074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 423.48 *424.0757* 424.0757@3.5247562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 424.0757 *424.1192* C11 H22 Cl2 N12 S 1 1254 1211 1318 1 1 1081 1330 1281 1113 1 1379 1 1028 1432 1339 1 1 1 1316 1071 1248 1 1 1 1188 1 1420 1 1 1126 1220 1 1296 1115 1089 1 1054 1393 1153 1044 1 1175 1107 1 1059 1263 1 1 1 1268 1387 1024 1126 1324 1474 1419 1376 1167 1135 1665 1607 1427 1370 1557 1687 1326 1549 1310 1301 1874 1656 1520 1274 1443 1509 1506 1462 1751 1782 1853 1680 1651 1702 1704 1946 1359 1685 1256 1310 424.1192 *424.1236* 424.1236@1.6432128 1 1 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 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 1 424.1236 *424.1536* 424.1536@1.1591239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.1536 *424.1698* 424.1698@1.9311122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 424.1698 *424.2774* 424.2774@1.1638888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 424.2774 *424.2784* 424.2784@1.9948853 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2784 *424.2787* 424.2787@3.8631916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1397 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2787 *424.2788* 424.2788@0.85938364 1307 2026 1 1 1 1 1 2012 2474 1 1 1133 1 1 1 1 1 1 1 1 1 1 1715 1 2113 1 1 2206 1 1 3435 1083 1 1 1 1 1 1 1 1216 1 1 1492 1 1 1 1 1702 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1037 1 3772 2179 1 1 1 1 1 1 1529 1 1 1 1 1 2250 2542 6334 1 1932 2658 1 1241 3507 1 1 1 424.2788 *424.2794* 424.2794@0.74895513 2280 1943 1 1 1 1 1 1 2073 1 1 1 1 1 1 1838 1274 1 1 1 1 4234 1 1 1 1 1 2218 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1272 1 1 1 1211 1 1 1504 1 1 1161 1 1 1 1 1433 1051 1 1 1 1109 1 3424 1 1 1 1 2388 1 1 1 1 1 1089 1 1 1916 2742 1 1 2894 5722 1 1940 1 1 1 1 424.2794 *424.2794* 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid 5924 6759 5821 5263 5022 5437 5458 4159 5303 5556 4657 1 4994 4192 4818 4823 5092 5280 3147 3641 3358 3988 3420 4574 4185 4929 3111 4247 1006 1390 3390 4888 4257 4586 4474 3504 5537 4298 4562 4396 3850 4797 3997 5330 7326 7745 3494 1 5456 6249 5995 2345 1 6102 5164 6460 7225 7630 6500 6710 4711 5471 5661 4889 5398 3705 3994 4429 5013 3083 4703 2546 5425 4498 5625 6229 4411 3429 4822 4202 1 4483 2029 3720 6102 4291 4664 3881 3732 4884 HMDB00399 424.2794 *424.2795* 424.2795@0.660972 1684 1 1 1 1 1 3021 2216 1 1 1 2795 1 5792 1 2562 1 1 1 1 1 1942 1148 1 1 1 1 4708 1 1 1 1548 1 1 1 1 1 1 1 1 1 1 2707 2531 1858 1 1 2802 1 1 1 1 2578 1 1350 1 1 1885 5649 3611 1 1798 1 1 1 1 1 2910 1519 1954 1 1 1 1 1779 1 1 3199 1000 2770 2937 1 1 1275 1 1427 1145 1371 1 2598 424.2795 *424.2796* 424.2796@3.0574071 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2796 *424.2797* 424.2797@1.8414737 1 1 1 1 1 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 1291 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 3921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2797 *424.2797* 424.2797@4.2719293 1 1 1 1 1 1 1 2216 1 1 1 1 1 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2797 *424.2803* 424.2803@0.8534132 1 1 1 1 1 1 1 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 424.2803 *424.2803* 424.2803@1.5648105 1436 1 1 1 1 1227 1 1222 1 1171 1 1 1 1 1 1 1 1 2259 1 1 1 2003 1 1 1 1 1 1 1 1516 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1311 1 1 5208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2461 1 1 1 1 1 1339 1141 1 1 1 1 1 1 424.2803 *424.2805* 424.2805@3.070537 1 1451 1 1 1 1 1399 1 1 1 2172 1 1 1 1 2154 1 1 1 1501 1 1 1 1 1 1 2383 2174 1 1 1 2438 1206 1 1 1 1 1 1642 1 1 1 1 1 3525 1 1 1 1 1 1 1 1769 1934 1 2580 1 1 1 1627 1 1 1 1 1998 1 1 1457 1 1 1337 1 1 1 1 1 2119 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2805 *424.2822* 424.2822@5.450916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.2822 *424.2896* 424.2896@1.1500254 1 1 1 1 1 1 2266 1816 1 1 1 1 1532 1 1 1 1850 2834 1 1 1 1 1 1407 1 1 1 1 1 1461 1 1 1648 1 1 1 1 1 1 1 1 1 1293 1 1 2557 1 1 1 1 1 1 1 1483 1 1 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 3420 2850 424.2896 *424.2961* (22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,26b-dihomo-27-norvitamin D3 / 1 1 1 1 1 1 1 1 1 1 1 1 1 1739 1701 2516 1346 1526 1 1848 5517 5270 1 7010 1 1 1 1 5729 6099 7161 5645 1 1 1 1 1 1 1 1905 1 10621 1 1 1 1 1 1 7429 8102 2049 3216 9927 7891 1 1015 1 1 1 1 4782 2852 1 1172 2824 2913 1713 1769 2833 4749 1 1 1 1 1 1 1 1 4522 4768 3072 4611 18966 19662 1 1 3307 2143 1 1 424.2961 *424.297* 424.297@1.0248356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 424.297 *424.3034* 424.3034@1.2030638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3872 1 2431 1 1 1 1 1 1 1 1 424.3034 *424.3136* 424.3136@1.2081561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1101 1 1 1 424.3136 *424.323* 424.323@1.2045704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6470 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4829 1 1 424.323 *424.3317* 424.3317@1.2021176 1509 1 2183 4091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1 1 1911 1 1 1 1 1 1 1 1 1466 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 1977 1038 1147 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 1 424.3317 *424.3402* 424.3402@1.1991212 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 2794 2250 1 1 1 1 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 1 1 1 424.3402 *424.4378* 424.4378@4.238899 1 1 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 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 1 424.4378 *424.7498* 424.7498@5.521769 1 1 2775 2321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1181 1222 1 1 1 1 1336 1656 1 1 1 1 1 1 1 1 1 1 1 1 1642 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1798 2128 1296 1038 1 1 1 1 1045 1050 1 1 1 1 1 1 1 1 1 1 1 1 424.7498 *425.1508* 425.1508@3.3359053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4925 1 1 1 1 1 425.1508 *425.1513* 425.1513@3.3046107 1 1 1 1 3516 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3474 3273 1 1 1 1 1011 1727 1 1 1 1 1 1 1 1 1 2787 2406 1 1 1 1 1 1 1 1 1805 1 1 2795 1 1 1 1 1 1 1 1 1 3904 4687 1 1 3466 3755 1 1 1 1 10276 1 1 1 1536 1 1 5222 8133 8009 1 5369 2919 1907 2408 1 2406 4116 8334 8497 425.1513 *425.1704* 425.1704@1.9352341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2652 2088 425.1704 *425.2543* 425.2543@5.532863 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.2543 *425.2822* 425.2822@1.9704133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 425.2822 *425.2901* 425.2901@1.1194627 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2404 2307 1 1 1 1 1 1 1 1 1 1 425.2901 *425.2987* 425.2987@1.1243328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1395 1 1 1 1 1 1 1 1 1 425.2987 *425.3032* 425.3032@1.3090098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.3032 *425.3123* 425.3123@1.680485 1 1 1 1 1 1 3638 13942 1 1 2053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.3123 *425.3127* 425.3127@1.6676751 1 1 1 1 1 1 10094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.3127 *425.3258* 425.3258@1.2063308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1062 1 1 1 1 1 1 425.3258 *425.3358* 425.3358@1.2074162 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 425.3358 *426.0469* 426.0469@0.8444937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2255 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 1388 1450 1 1 1 1 1 1 1 1 1 1 3488 1 426.0469 *426.1188* 426.1188@2.8159363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.1188 *426.2134* 426.2134@1.172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 426.2134 *426.2489* 426.2489@1.1470393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1053 1 1 1 1 1 1 1 1 1 1 1 426.2489 *426.2542* 426.2542@1.1421511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4411 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 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 1 1 1 1884 1 1 1659 426.2542 *426.2594* 2-glyceryl-PGE2 1601 1766 1 1 2649 2906 3460 2640 2469 2070 1 2694 2920 3045 2711 2775 2385 2038 1891 2299 1 2701 3747 3077 1 1914 2780 2465 1969 2106 1 1315 2380 2381 2480 2832 1 1463 1 1 1 2154 1980 2300 1779 2102 1 1236 1887 1986 1628 1744 1 1 1 1 1786 1707 1 1 1719 1 1122 1568 1 1 1 1 1 1 1 1 1 1 2733 2516 1 1258 1 1 1 1398 1 2288 1719 1 1 1896 1771 1 426.2594 *426.2718* 426.2718@1.1242043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3506 4907 1 1 1 1 1 1 1 1976 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 1 1 1 1 1 2507 3452 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 1 1 4070 2905 426.2718 *426.2745* 426.2745@1.1981153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3081 3434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1302 1 1178 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 1630 3204 1 1 426.2745 *426.2858* 426.2858@1.1969857 1 1 1 1 2803 4190 1052 1424 1 1428 1 1 1051 1 1 1 1104 1372 1 1 1176 1012 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1184 1 1 1 1 2057 1175 1 1 1729 1118 1415 1365 1 1 1 1285 1783 1396 1 1 1 1 1 1 3009 3452 1 1 1515 1 1 1 1 1 1 1 426.2858 *426.2994* 426.2994@1.194657 1 1 1 1 1 1 1 1 3313 1 1 1 1 1 1 1 1 1 1 3275 1 1 1 1 1 1 1 1 1 1 1 1 1 4116 1 1 1 1 1 1 1 1 2825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18747 1 1 1 1 1 1 426.2994 *426.3073* 426.3073@6.607028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 1 1560 1 1 1 1 1481 1 2717 2652 1 1 1 1410 1 1 1138 1 1 1 426.3073 *426.3113* 426.3113@1.2024196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3113 *426.3317* 426.3317@1.2177755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3317 *426.3425* 426.3425@1.2192607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 3193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 426.3425 *427.2223* 427.2223@2.107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 427.2223 *427.2343* 427.2343@2.1108592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 427.2343 *427.2791* 427.2791@1.2025442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1734 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.2791 *427.2942* 427.2942@2.1961317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.2942 *427.3224* 427.3224@1.1265683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1649 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 2050 1923 1 1 1 1 1 1 1 1 427.3224 *427.3285* 427.3285@1.1269605 1 1 6116 6048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1622 1 1 1 1 5037 5257 1 1 1 1 1 1 1 1 1 1 1 1 3803 4703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 2900 2096 1 1 1 1 4511 4965 1 1605 1 1 1 1 2779 3016 1 1 1 1 1 1 1 1 1 1 1 1 427.3285 *427.367* 427.367@4.0157857 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1861 1 1 427.367 *427.9566* 427.9566@4.631487 1 1 1656 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 427.9566 *428.1301* Asp Ser Trp 1 1374 1130 1 1 1 1 1264 1801 1597 1 1 1 1421 1339 1 1 1286 1548 1309 1 1 1272 1 1 1496 1066 1524 1 1182 1143 1040 1 1 1 1430 1793 1553 1607 2388 1647 1763 1 1 1 1491 2123 1659 1594 1552 1706 1527 2375 2097 1790 1 1689 1443 2117 2569 1622 1658 1383 1 1 1 1224 1 1 1 1601 1925 1 1226 1 1301 1693 1644 2320 2675 1 1 1410 1 1 2020 1 1 1308 1151 428.1301 *428.1333* 428.1333@2.057927 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 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1351 1 1 1 1 1610 1 1 1 1610 1900 1 1 1 1419 1 1 1 1 1306 1 1 1 1 1 1501 1618 1 1 2124 1 1 1 1 1 428.1333 *428.1647* 428.1647@6.0750093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3279 3444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1647 *428.1674* 428.1674@1.1923401 1 1 1 1 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 3693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1674 *428.1928* 428.1928@1.1512264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 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 1242 1 2408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1928 *428.1996* 428.1996@1.1404109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1996 *428.2134* 428.2134@1.0903524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2134 *428.2183* 428.2183@1.0828166 2447 1350 1 3847 5949 1 1 1 1 1 1 1467 1 1 2340 1 1 4192 1 1 1778 1 1 1 1 1 1 1826 1 1 1 1 3431 2380 1 2460 1 1 1 1 2355 2067 4203 3906 1 1 1 1 1 1951 1798 1 1 1 2923 1822 1 1 2012 1 1 1 1 1 1 1 2372 2218 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2205 1 1 428.2183 *428.2265* 428.2265@6.161122 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 139494 141445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2265 *428.2281* C16 H36 N4 O7 S 1 1 2281 1 1198 1 3281 1330 3410 4182 2452 1 3417 3017 1 1 1 1 1711 2803 1 3101 1 1334 3836 3014 1 1 1 3078 1 1 1 1 1364 1 1 1 1 1 1 1 1 1 1 1 3192 1 4481 1 1 2666 1 2776 1 1 1253 2108 2340 3341 3672 3281 2977 2470 3728 4031 1 1 2017 2481 2091 1 1658 2961 1 2431 2799 1 2432 3149 1 1 2540 1 1 1 2368 1 2202 1 428.2281 *428.2307* 428.2307@5.694758 1 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 1 428.2307 *428.2341* 428.2341@5.6099114 1 4142 1 1 1 1 1 1 1814 1975 1 1904 2223 1 1767 1 2538 1 1151 2002 1 1 1854 1 3459 1 1 1688 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 2846 1 1 3311 1 3060 2845 1 1563 1 1520 1 1 2390 1 2127 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 1 428.2341 *428.241* 428.241@1.0623977 1 1 1 1 1 1 1 1024 1 1 1 1 1 1 1387 1 1 1 1 1 1507 1 1 1689 1 1 1 1054 1 1 1 3563 1 1 1 1 1 1 1 1 1 1 1182 1130 3574 3614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5454 1 1 1 1 4055 1 1 1 1 1 1 1 1 1610 1 1 1 1 1 1 1 1 1 1 1 1 1095 1491 2551 428.241 *428.2498* 428.2498@1.1977866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2961 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2498 *428.2693* 428.2693@1.098772 1 1 1 1 1 1 1 1177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 428.2693 *428.2775* 428.2775@1.0680808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1541 1 1 1 1 1 1 1 1 1 428.2775 *428.2893* 428.2893@4.5795064 1 1 1028 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.2893 *428.3638* 428.3638@1.0268885 1 1 1 1 1 1 1698 1 1 1 1 1 1 1435 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 2331 1971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1255 428.3638 *429.1282* C30 H20 Cl N 2721 3149 2604 1635 1036 1 1841 1987 2828 2888 2445 1523 2691 2772 2692 2452 1634 1636 2851 2496 1570 1 2884 3473 2992 2845 2587 3128 1724 1812 1886 2542 1 1 2232 2714 3182 3292 2369 3142 3026 3065 2153 1579 1790 2466 3224 3019 2586 2737 3563 3513 4601 4019 3406 3094 2206 2754 4487 5031 4154 3793 3397 2273 4553 4535 2948 2739 2903 3045 4847 4238 1887 1916 2103 2790 4626 4247 5641 5429 3922 4225 2704 2219 4872 4707 2687 3219 3104 3879 429.1282 *429.1322* 429.1322@1.9696685 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 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 1343 429.1322 *429.1916* 429.1916@1.1909996 1320 1 1 1740 1 1 1 1698 2393 2731 1 1844 1 1 1 1 1791 1661 1 1 1 1 1884 1759 1656 1 1 6113 1 1 1 1 1 1 1 1 5483 1 1 1 1 1909 1 1 4915 2943 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 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.1916 *429.1967* 429.1967@1.1925015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1 1 429.1967 *429.2154* 429.2154@1.0700268 1 1 1 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 1 1 1 1 429.2154 *429.2221* C15 H23 N15 O 1691 1 1125 1784 2154 2249 1 1396 1773 1 1142 1629 2101 1970 2082 2096 1513 1800 1 2269 2828 2374 1351 1665 1924 1 1709 1835 2129 1328 2599 2485 1 1 1 1466 1 1740 1 1 2282 1720 2015 1662 1 1 1598 2117 2405 3146 2081 2083 1 1999 1813 1 1789 1634 2002 1736 1 2026 1798 1629 2282 2266 1762 1799 1139 1798 1 1658 1285 1570 1 1 2037 1455 1 1 1 1 1015 2114 1141 1 1 1284 1 1 429.2221 *429.2307* 429.2307@1.0598475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1609 1 1 1 1 1 1 1 1 1 1764 1 429.2307 *429.2365* Lys Trp Pro 7585 7016 1 1 1 1 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 1615 36881 36005 1 1 1 1 1581 1705 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 7973 7537 5942 5612 7233 7719 15772 17354 7264 7328 4103 4282 4251 4215 5006 4809 4778 5156 4594 4731 4321 4229 1701 1337 5760 5650 5316 5215 5377 5609 429.2365 *429.2425* 429.2425@1.0677547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1705 1432 2012 1 1 1 1 1 1 1 1 429.2425 *429.2565* 429.2565@2.372839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3563 1 1 1 1 1 1 1 1 1 1 429.2565 *429.2582* 429.2582@2.2271218 1 1 1 1 2433 1 1476 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5062 16722 1 1 1 1 1 1 1 1 1 1 429.2582 *429.2585* 429.2585@4.0722585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3565 1 1 1 1 1 1 1 1 1 1 429.2585 *429.2586* 429.2586@2.2497609 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11527 1 1 1 1 1 1 1 1 1 1 1 429.2586 *429.2596* C15 H32 Cl N13 1 1 2161 2077 1 1580 1522 1378 1168 1405 1464 1581 1644 1557 1 1 1 1 1382 1630 1 1217 1131 1 2439 2316 1456 1 1282 1470 1482 1582 1 1 1 1 1275 1416 1288 1058 1353 1238 2584 2691 2668 2101 2209 2101 1581 1554 1 1 1574 1295 1374 1238 1846 1732 1261 1 1 1 1157 1377 1342 1605 1 1 2671 2885 1826 1489 1 1 1 1 1045 1349 1 1003 1 1 1 1 1 1 1 1 1 1 429.2596 *429.2614* 429.2614@1.196832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.2614 *429.2675* 429.2675@1.1933515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1864 1 1 1 1 1705 1 1318 1267 1518 1394 1 1 1 1 1 1 1929 2408 1 1171 1 1 1 1 1 1 1083 1087 1365 1 1 1 1 1 1 1254 1 1 1 1 1 1 429.2675 *429.2811* 429.2811@1.2019567 1 1 1 1 1 4426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1631 429.2811 *429.2882* 429.2882@1.1887915 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 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.2882 *429.3246* 429.3246@4.484157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 429.3246 *429.3808* 429.3808@4.1268697 1 1 1 1 1 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 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 429.3808 *429.381* 429.381@4.126662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7652 7960 2496 1079 1 1 1 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 5356 3062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13661 14795 1 1 429.381 *429.7622* 429.7622@6.894215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.7622 *429.9063* 429.9063@5.7762904 2142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2051 1 1 1 1483 1 1 1 1 1 1 1 1857 1 1 1 1 1 1 1 1 1 1 1 1 1 2252 1 1 1 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1 1563 1 1 1 1 1 1 1582 2050 1674 1 1 1 1525 1 1 1 2437 2388 1 1 1 1 429.9063 *429.9064* 429.9064@5.7848053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 2094 1 1 1 1 1 1 1 1 1 429.9064 *429.9068* C22 Cl2 O6 2481 1033 1 2137 2357 2337 1 1672 2097 2284 1 1 1 1644 1160 2336 1 2012 2336 1639 1 1995 2577 1267 1873 2115 2184 1208 1525 1 2822 1712 3286 1 1 2078 1 1 1 1 1 1718 2064 2082 2102 1822 1 1580 1940 3298 2206 1622 5161 1 1233 2214 1889 4086 2040 1 1 3365 1 2401 1994 1 2354 2971 1 2544 2180 1 2801 2333 1737 1750 3570 1281 1732 2501 1843 1 1 1719 2472 1959 1 1 1 1 429.9068 *429.9146* C13 H2 O15 S 78918 78370 79501 77630 77899 78945 77731 79080 79266 80860 78768 79799 79186 80982 80691 80786 77604 76772 79019 79629 82638 82672 83146 82185 77086 77033 80608 81876 75946 72971 79656 80306 84144 82221 78225 79210 79668 79774 82940 82546 84056 86055 79376 79455 80661 79257 78672 79356 81725 83729 112552 111456 97241 98802 94381 92914 84494 88244 86274 85512 110833 108932 85058 84951 98350 99735 98396 97854 83525 82653 125433 124905 83610 83588 90697 92162 114897 119021 113462 112644 121800 119910 114707 116854 117164 118319 112701 113528 97923 96474 429.9146 *429.9426* 429.9426@0.80670995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 429.9426 *430.1265* 430.1265@1.9419718 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1422 1249 1 1 2664 2179 1 1 1 1 1 1 1 1 1 1 1 1 2597 2461 1 1 1 1 1226 2499 1 1 3887 4290 430.1265 *430.1989* 430.1989@1.186224 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 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 8930 5720 1 1 1 1 1 1 1 3676 1 6330 1 1 1 1 1 2105 1 6546 1 1 1 1 430.1989 *430.2004* Gln His Phe 1 8902 1 1 7091 6722 4584 7714 6954 1 1 1 6049 4063 1 7492 7112 6169 1 15546 4076 1 9148 1 1 8212 1 4604 1 11409 1 1 12672 11808 1 11725 1 1 6277 1 1 7391 1 6557 6989 1 11132 1 9320 7355 15533 1 1 1 1 13838 1 6380 9746 9880 5761 20591 1 10346 2651 14535 2904 2274 10111 1 1 5931 10152 5806 5776 4618 5179 4847 1 1 1 5239 1 4454 1 2893 6092 12891 1 1 430.2004 *430.2011* C30 H26 N2 O 12538 6994 10349 10572 8362 8105 5184 6963 7070 1 11242 11329 5766 5282 12971 7387 9578 6587 12914 6237 6412 12832 5654 1 13118 8595 13015 6055 12826 8289 15096 15473 15371 14861 13016 6940 8389 8462 6159 1 17969 10931 8898 6078 3358 11378 5752 8706 7660 7703 7660 14893 10771 12975 15915 9267 5562 14039 8697 9528 8106 12867 13083 7287 14166 8549 6817 7690 5134 12428 12335 4886 5160 4426 5181 4405 7623 6096 7145 11633 9446 7298 12961 8398 8609 3429 6653 5898 10609 5248 430.2011 *430.2091* 430.2091@1.2137626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2091 *430.2674* 430.2674@1.6630352 1 1 1 1 1 1 1981 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.2674 *430.2977* 430.2977@1.202679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 430.2977 *430.3071* 1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferol 6189 5115 6012 5184 9279 10421 10204 10851 5344 4593 5731 5948 3076 2667 4854 4359 4113 5200 1430 8183 5695 5945 3649 3526 4389 4078 6997 6998 3864 3888 6027 5715 5477 4899 5366 4897 4063 3835 3252 3380 6764 6498 2985 3548 5361 5107 7549 7077 4166 5130 4197 3377 6732 7932 5310 5409 4257 4508 10543 8808 8745 9229 5652 5172 5499 6948 2998 2637 5515 5469 3878 4224 6771 6318 4034 4539 6009 6282 5118 4724 5461 4833 3605 4040 5710 5672 9618 9811 9021 9452 430.3071 *430.3126* 430.3126@1.2032927 1 1 1 1 1 1 1 1 1 1 1399 1475 1 1 1 1 1 1 7526 1 1 1 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1603 1 1 1 1112 1 1 1515 1555 1 1 1 1 1 1 1 1 1 1 1 1 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 1487 1 1 1 1 1 1 430.3126 *431.1943* 431.1943@6.0850244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 2215 431.1943 *431.2323* C25 H29 N5 O2 626831 627472 592118 586393 758798 747144 694104 698940 612408 619555 463469 471664 564776 553210 721023 717889 725535 738815 799309 811842 1127666 1120802 525917 530529 743750 745036 801037 808486 758563 773066 661341 652606 840739 835647 566319 561589 858033 867120 676148 675796 842136 844757 664370 665132 515312 513264 697794 698940 850150 853064 893435 898777 861718 869319 700019 693910 579020 582601 813449 815420 906392 884889 795566 787835 1079751 1086136 818531 820443 1144993 1145622 785907 792315 648556 633261 547279 546836 922751 917549 710370 712742 723350 722608 811335 807478 578322 587770 663498 676850 589257 589066 431.2323 *431.2326* 431.2326@1.1868651 1 1 6433 1 1 1875 1 1 1 1751 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 1 1 1 1 1 1 1 1 1 6895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.2326 *431.2482* 431.2482@1.2244045 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.2482 *431.2727* 431.2727@3.434438 1 1 6218 7147 1 1 1 1 1 1 4659 5096 1 3610 1 1 1 1 1441 1 1 1 1 1 5309 4808 1 1 1 1501 1 1 1 1 1 1 4330 4100 1 1 1 1 4427 5174 2829 3635 3540 2781 1 1 1 1 1 1 1 1 2165 2491 1 1 1 1123 2376 1 2431 2160 1 1 8627 8427 4684 2339 1 1 1 1 2964 1 1 1 1 1 1 1 1 1 1 1 1 1 431.2727 *431.2729* 431.2729@3.937604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 431.2729 *431.273* C19 H37 N5 O6 45762 45247 1 1 1 1 1 1 1 1 1 1 1 1136 42741 41476 1 1 1 1 29411 29158 39154 38611 1 1 1 1 1 1 1 1 11906 11254 1 1 1 1 70218 68671 1 77135 1 1 1 1 1 1 63300 65071 16943 17671 100047 97170 45866 44403 54443 56244 57999 52708 1 1 1 1 106517 106257 12403 11282 1 1 1 1 53731 51985 45321 45183 1 164600 1 1 53849 52774 29283 29506 70878 70883 45506 45803 47539 47758 431.273 *431.4035* 431.4035@1.1087265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.4035 *431.4762* 431.4762@1.1074935 1 4656 1 1 1 1 1 1 1 1 1 1 2307 2688 1 1 1 1 1 1 1 1 4193 3763 1 1 1 1 1 1 3205 3100 1 1 1 3086 1 1 1 1 1 1 1 4551 4274 3261 5549 5390 1 1 1 1 1 1 1 5977 2264 2759 5189 6312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 2978 3352 4360 3302 3470 1 431.4762 *431.4785* 431.4785@1.1089593 4683 1 3005 2867 1 1 1 1 3612 4616 2106 3178 1 1 1 1 1 1 1 1 1 1 1 1 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 5423 3236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3891 431.4785 *431.6571* 431.6571@1.1088126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.6571 *431.6973* 431.6973@1.105098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.6973 *431.7129* 431.7129@1.1104529 1 1 1 1 1 1 1 1 1557 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 1 1 1 1 1 1 1173 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 1 431.7129 *431.7161* 431.7161@1.1097506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1334 1792 1 1 3443 1 1 1 1 4665 1 1 1 1 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.7161 *431.7258* 431.7258@3.858456 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 431.7258 *431.7311* 431.7311@1.1049738 1 1 1 1 1 1 1 1144 1 1 1 1 1 1450 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.7311 *431.7401* 431.7401@1.1136668 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 1 1 1 1 1 431.7401 *431.7508* 431.7508@1.1083603 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.7508 *431.7587* 431.7587@1.1140437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 431.7587 *431.7694* 431.7694@1.1089863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1718 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 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 1 431.7694 *431.775* 431.775@1.1065683 1 1 1 1 1 1 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 1409 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 1 431.775 *431.7823* 431.7823@1.1099288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.7823 *431.7906* 431.7906@1.1089435 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1982 1 1 1 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 1 431.7906 *431.8032* 431.8032@1.1098031 1 1 1 1 1 1 1 1 1448 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 431.8032 *431.8164* 431.8164@1.110115 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.8164 *431.8308* 431.8308@1.1079414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.8308 *431.833* 431.833@3.8654559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.833 *431.8458* 431.8458@1.1064799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.8458 *431.8544* 431.8544@3.8493168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.8544 *431.8561* 431.8561@1.1063882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 431.8561 *431.8626* 431.8626@1.1116663 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1468 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2059 1 1 1923 1 1 1 1 1 1 1 1 1 1 1220 1 1 1817 1 1 431.8626 *431.8697* 431.8697@1.1111946 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 431.8697 *431.8812* 431.8812@1.1100532 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.8812 *431.8883* 431.8883@1.110683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 431.8883 *431.9006* 431.9006@1.1045103 1 1 1 1 1 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 1785 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 1 1 1 1 1 431.9006 *431.9124* 431.9124@1.1109596 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 1 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 1422 1 1 1 1 1 1 1 1 1 431.9124 *431.9318* 431.9318@1.1037284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 2280 1318 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 2231 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 1 1 431.9318 *431.9351* 431.9351@1.1124849 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 431.9351 *431.9536* 431.9536@1.1120716 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2101 1 1 1 1 1 1 1487 1 1 1 1341 1 1 431.9536 *431.964* 431.964@1.1113651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.964 *431.9724* 431.9724@3.861456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 431.9724 *431.9736* 431.9736@1.1071737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1 1 1 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 1 431.9736 *431.9901* 431.9901@1.10976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1 431.9901 *432.0043* 432.0043@1.1079153 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.0043 *432.0114* 432.0114@1.1071104 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.0114 *432.0188* 432.0188@1.1066477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.0188 *432.0383* 432.0383@1.1072845 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1707 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.0383 *432.0442* 432.0442@1.1103631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.0442 *432.0618* 432.0618@1.1098067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 432.0618 *432.074* 432.074@1.1128759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.074 *432.081* 432.081@1.1090499 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 1 1 1 1 1 1 1033 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 1 432.081 *432.1238* 432.1238@1.9395227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1509 1 1 1 1 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 432.1238 *432.1545* 432.1545@1.6420884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1615 1563 1 1 1 1 1 1 1 1 1 1 432.1545 *432.2302* 432.2302@1.65104 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2302 *432.2319* C25 H36 O4 S 1 1 4829 4500 1 1 2886 3555 1 1 4755 5290 3468 2300 1 1 1 1 7454 7296 2239 2281 2524 2217 11141 10250 1 1 1 1 22828 23137 1 1 3383 2926 1 1 7112 7528 1 3872 6724 6314 10667 9399 1 1 1 1 1 1 2879 2733 1 1 2200 2592 1 1 14972 16137 3053 2766 5027 5787 1 1 24216 25510 11800 12628 1 1 1 1 8901 9969 1738 1637 1 1 1 1 3489 3345 1 1 1 1 432.2319 *432.232* 432.232@1.7171726 1 1 1 1 1 1 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 8717 1 1 1 1 1 1 1 3078 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5787 1 1 1 1 1 1 1 6729 8560 3610 3848 1 1 1 1 1 2780 1 1 1 1 1 1 1 1 1 1 1 1 432.232 *432.2354* 432.2354@1.2984633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 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 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2354 *432.2665* 432.2665@1.2023981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2665 *432.2724* 432.2724@3.9506855 1 1 1 1 3567 1 1 1138 1 1 1 1 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 1 1 432.2724 *432.2794* 432.2794@3.9597974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2376 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.2794 *432.2947* 432.2947@1.2062435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 432.2947 *432.3026* 432.3026@1.0345843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3026 *432.3233* 432.3233@1.0185746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2000 1 1 1 1 1 1 2276 1 432.3233 *432.3257* 432.3257@1.0156593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 432.3257 *432.406* 432.406@1.099859 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.406 *432.4155* 432.4155@1.1177917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 432.4155 *432.4674* 432.4674@1.1101038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.4674 *432.4762* 432.4762@1.1115851 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 1740 1 1 1 1 1227 1 1 1 1 1 1 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 1432 1 1 3021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.4762 *432.4806* 432.4806@1.1096977 1 1 1 1 1 1611 1 1 1 1 1 1 1 1 1 1 1 1 1 1902 1 3093 1 1 1874 1 1 1 1 1 1 1 1 1 1 1 2119 1 1 1 1 2708 1236 1 1 1 1 1 1 1 1 1 1835 1 1677 1 1 1 1 1 2145 2009 1 1 1 2863 1 2063 1 1 1 1 1 1 1 1 2201 1 1 1687 1628 1 1 1 1 1 1 1 1 1 432.4806 *432.4964* 432.4964@1.1089118 1 1 1 1 1 1 1 1190 1 1 1 1 1 1119 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 2444 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 1 1 1 1 1 1 1 1 1 1 1 432.4964 *432.5043* 432.5043@1.1153466 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 432.5043 *432.7058* 432.7058@1.1119697 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.7058 *432.7158* 432.7158@1.1102551 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 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.7158 *432.7304* 432.7304@1.1055008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1489 1 1 1 1 1 1 1047 1 1 1 1 1 1 1 1 1 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.7304 *432.7371* 432.7371@5.555385 1 1 6191 6578 1763 1961 1091 1551 1 1394 1 1 2116 1947 1 1 1 1 1 1 1 1 1 1 3176 3269 1 1 1 1 4728 4073 1 1 1 1 1625 1621 1 1168 1 1 2047 2528 5468 4107 1748 1702 1 1 1 1 1353 1404 1 1 1 1 1 1 1 1152 1 1 1615 1520 1 1 6141 5932 2605 2409 1 1 1 1 1 1722 1 1388 1 1 1 1 1 1 1 1 1 1 432.7371 *432.7406* 432.7406@1.1107917 1 1 1 1 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 1704 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 1 432.7406 *432.7565* 432.7565@1.1066688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.7565 *432.7712* 432.7712@1.109216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 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 1015 1 1 1 1 1 1 1062 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 1 432.7712 *432.7909* 432.7909@1.1098318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.7909 *432.811* 432.811@1.1170468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.811 *432.8201* 432.8201@1.1060652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 432.8201 *432.8376* 432.8376@1.1116416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 432.8376 *432.857* 432.857@1.1120477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.857 *432.8638* 432.8638@1.1113269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.8638 *432.8652* 432.8652@3.8564558 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.8652 *432.8804* 432.8804@1.1068918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.8804 *432.8882* 432.8882@1.1157985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 432.8882 *432.9085* 432.9085@1.1093888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.9085 *432.9335* 432.9335@1.1143594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 432.9335 *432.9402* 432.9402@1.1117505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 432.9402 *433.0074* 433.0074@1.1124585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.0074 *433.03* 433.03@1.105582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.03 *433.0477* 433.0477@1.1094731 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 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.0477 *433.1226* 433.1226@2.5132656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1723 2148 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 1405 1769 1 1 1 1 1 1 1 1 1453 1592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1339 1965 2073 1 1123 2092 1946 1 1282 2114 1858 433.1226 *433.2393* 433.2393@5.5442038 1 1 2024 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 1541 1582 1 1 1 1 1 1 1 1 1 1 1 1 1928 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2393 *433.2662* 433.2662@1.0680985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 5028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 433.2662 *433.2726* 433.2726@1.0646113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 3172 2861 1220 1 1 1132 1 1 1 1 1 1 1 1 3511 1 1 1 4412 1 1 1 1 1435 1 1 1 1 4033 6109 1 1 1 5601 1 1 1 1 1 3694 433.2726 *433.2794* 433.2794@1.0594994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2412 1 433.2794 *433.2814* 433.2814@3.8726785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 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 1 433.2814 *433.2904* 433.2904@1.1915517 1 1 1 1 1 1 1 1 1 1 1323 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 1 1 1 1 1 1 1 8066 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 1 1 1 1 1 1 1 1 433.2904 *433.9421* 433.9421@6.7587557 1 1 5045 5687 1 1 1 1 1 1 1 1 1283 1205 1 1 1 1 1 1 1 1 1 1 3099 3297 1 1 1 1 3020 2933 1 1 1 1 1 1038 1 1 1 1 1995 2085 2967 3459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 1 1 1 4283 3664 2519 2703 1 1 1 1 1625 2053 1 1 1 1 1 1 1 1 1 1 1 1 433.9421 *434.0679* 434.0679@1.526491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3529 3112 1 1 1 1 434.0679 *434.1108* 434.1108@1.0477626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26893 22892 1 1 1 1 1 1 1 1 1 1 434.1108 *434.1178* 434.1178@2.073842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1104 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1772 2049 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 3254 3311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1400 1737 1 1 1 1 1 1 1 1 1 1 3393 3263 1 1 1 1 434.1178 *434.2297* 434.2297@1.1851606 2491 2469 1 1 4266 3140 3698 1 2503 1 1 1 1 4335 1 5824 3932 4250 1 5093 4398 1 2412 2578 1 1 1 1 4590 4548 11019 1 1 1 1 1 1 1 4696 3884 1 1 1 4683 1 1 1 1 1 1 1 1 1 1 1 1 5804 1 1 1 4721 6094 1 1 1 1 1 7089 1 1 5393 1 1 1 6937 6959 1 6412 1 1 3908 3940 5569 1 3719 3659 1 1 1 1 434.2297 *434.2404* 434.2404@1.1813141 1 1 1 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 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 1 434.2404 *434.2718* 434.2718@1.105825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1969 2635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 1284 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 2497 1326 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2718 *434.2793* 434.2793@6.7568474 1 1 3798 3237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1802 2250 1 1 1 1 2177 2185 1 1 1 1 1 1 1 1 1 1 1 1 2412 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2890 2870 1744 1501 1 1 1 1 1545 1651 1 1 1 1 1 1 1 1 1 1 1 1 434.2793 *434.2836* 434.2836@1.0736694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4354 5893 1 1 1 1 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4548 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 434.2836 *434.2885* 434.2885@1.0524487 1 1 33269 12494 1 1 1 1 1 1 122448 2985 1 1 1 1 1 1 1 1 1 1 1 1 60671 59395 1 1 1 1 1 66387 1 1 1 1 188646 12847 1 1 1 1 17125 15751 1 1 1 1 1 1 1 1 2147 1 1 1 1 62626 22091 21973 1 1 1 1 1 1381 1 1 1 1 26395 23762 1 1 1 1 1 1 1 1 2228 75446 1 1 1 1 1 1 1 1 434.2885 *434.3* 434.3@1.0472373 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 1 1 1 1 1 1 1 434.3 *434.9981* 434.9981@5.6334066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1496 1 1 1 1733 1 1 1 1 1 1175 1115 1050 1540 1 1 1 1 1 1 1 1 1 1269 434.9981 *435.1184* C22 H29 N S4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1139 1 2096 1 1 1 1 2789 2141 2108 1770 1 1 1 1 1 1 1277 1319 1 1 1 1 4047 3887 1 1 1 1 1102 1 1 1 1 1 2508 2439 2011 2198 7179 7361 1 1 1 1 1 1 1671 1524 2391 2122 1 1 1 1 3114 3591 1 1 1 1 1 1 1702 1658 1 1 7598 7066 2977 2489 1 1 435.1184 *435.1738* 435.1738@1.825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 435.1738 *435.1976* 435.1976@1.2372044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.1976 *435.2137* 435.2137@5.531119 1 1 1544 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 435.2137 *435.227* 435.227@2.0503106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29205 30828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.227 *435.2271* 435.2271@1.9568738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2271 *435.2524* 435.2524@1.1619923 1 1 1 1 1 1 1 1107 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 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 1488 1502 1 1 1 1 1 1 1 1 435.2524 *435.2596* 435.2596@1.1494749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 2027 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 2166 1 1 435.2596 *435.2671* 435.2671@1.1885465 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2671 *435.2761* 435.2761@1.2011942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.2761 *435.2874* 435.2874@1.1588354 1 1 1 1 1 1 1 1 1 1 1074 1048 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 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 1 435.2874 *435.3027* 435.3027@2.9293652 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.3027 *435.303* 435.303@2.837233 1 1 10302 8149 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 9226 6490 1 1 1 1 1 1 1 1705 2135 1 1 1 3267 2286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5146 6823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.303 *435.3032* 435.3032@3.1360192 1 1 4402 5136 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 2059 1 1 1 1 1 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1313 1 1 1 1 1 1 1 1 1 1 1 1043 1 1 1 4719 4347 3218 3796 1 1 1 1 3744 3701 1 1 1 1 1 1 1 1 1 1 1 1 435.3032 *435.3046* 435.3046@2.4874647 1 1 2201 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.3046 *435.3175* 435.3175@1.2060243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.3175 *435.7683* 435.7683@5.701552 1 1 2080 2081 1 7883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20310 1 1 1 1 1 1 1 1 1 1 1 1 1171 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 1 435.7683 *435.8034* 435.8034@2.7966728 1 1 1 2379 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8034 *435.8045* 435.8045@2.964005 1 1 3578 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 1 1 1 1 1 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 3217 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8045 *435.8056* 435.8056@3.1383789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 435.8056 *436.1876* 436.1876@1.091779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 399458 404218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.1876 *436.1881* C26 H28 O6 2646 1 2665 1 1 3925 1 1 1 1 1741 1 1 1 1 1 2819 1 1 1 1 1 1 1087 1 1 3688 3340 3278 1 1 3655 4504 5815 1 1234 1 1 1 1 2193 3498 1 1 1 1 1 1 1 1 1 1 3387 1 3803 3154 1 1 1 1 1 1 1 3464 3173 4258 4567 4311 2131 1 1 1 3530 3271 1 2971 1 5033 3294 1 3366 3719 1 4166 2205 1 3390 4521 3303 2773 436.1881 *436.2303* 436.2303@2.1347365 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2303 *436.2696* 436.2696@4.802994 1 1 1484 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1271 1092 1 1 1 1 1 1 1 1 1 1 1 1 436.2696 *436.366* C21 H48 N4 O5 3233 4295 5069 5136 8159 8849 9196 11370 4989 5051 7005 6800 7758 8667 4200 8772 6813 6560 10481 1 3715 7362 6044 5710 3774 3609 3525 1 7180 7327 3704 3785 7367 5414 9871 9530 14148 7436 1 5609 13182 12236 4612 4709 14882 14391 9087 9227 4980 5231 8118 7968 10227 10802 16630 15834 6337 5788 5676 5734 5436 11045 7629 7746 6510 6258 4125 3903 3467 3328 3087 3347 12027 11817 4807 6245 6224 6636 5985 6589 3557 3571 13695 13333 4797 4628 10057 9678 2600 2628 436.366 *436.4271* 436.4271@1.0751178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.4271 *436.4348* 436.4348@1.0840564 1 1581 1 1 1 3091 1 1961 1 1019 1547 1 1 1 2780 1882 1689 1737 1 1 2587 2003 1 2561 1 1981 1 1 1 1 1 2125 1 1 1 1 1248 1 1 1 1550 1878 1319 1 1 1 1 1 2731 1 1 1 1 1 2489 1 1 1 2606 1 1 1 1 1 1 1 1 1 2186 1 1 1383 1 1632 1 1 1589 1521 1 1 1 1 1 1 1 1 1692 1 1382 1399 436.4348 *436.442* 436.442@1.0807894 1 1 1 1 1 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.442 *436.4871* 436.4871@1.1008357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.4871 *436.5201* 436.5201@1.0863103 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 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.5201 *436.7159* 436.7159@1.0741905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.7159 *436.734* 436.734@1.0818465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.734 *436.8027* 436.8027@1.0811998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.8027 *437.118* 437.118@1.2013551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.118 *437.2016* 437.2016@1.2014173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1671 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 1 437.2016 *437.2039* 437.2039@1.2317559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 437.2039 *437.2573* 437.2573@0.9993671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4018 3913 1 1 1 1 1 1 437.2573 *437.2793* 437.2793@1.2111034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.2793 *437.3137* 437.3137@1.1336691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 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 1 437.3137 *437.3595* 437.3595@1.0833503 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.3595 *437.3703* C27 H51 N O S 7202 1 14232 13370 1 1 1 1 6539 6929 12330 11956 1 1 3218 1 1 1 1 1 2760 1 4596 4317 6891 7103 13626 14238 11291 12032 4878 4356 1 1 1 1 1 4655 1 1 1 1 10916 11524 1 1 1 1 1 1 1 1 1 1 1 1 1956 1 19868 19763 3457 1 1 1 1 1 4640 3751 3924 3199 3728 2696 1 1 1 1 1 1 1 1 6662 6754 14272 13513 1 1 1 1 2033 2976 437.3703 *437.4942* 437.4942@2.7690668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.4942 *438.0602* 438.0602@0.8103912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5835 5710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.0602 *438.1756* 438.1756@1.7560141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.1756 *438.1762* 438.1762@1.2961035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11324 11053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.1762 *438.198* 438.198@1.1414396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.198 *438.2051* 438.2051@1.1647894 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.2051 *438.2255* 438.2255@1.1933446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.2255 *438.3126* 438.3126@1.0448673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16543 1 1 1 1 1 1 1 1 438.3126 *438.3156* (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-d 1 1 4892 1 15338 14858 19068 20282 28989 29517 1 9597 1 1 3831 1 1 1 1 9945 1 65988 32669 1 1 1 1 1 1 1 32051 1 4453 4190 1 8913 1 21720 23874 21961 132235 132029 1 2621 1 1 6941 7384 1 1 50986 51991 1 1 1 1 5161 1 3331 4052 1102 1 6276 6283 1 35634 27991 1 72874 74060 10883 11162 13153 12898 6415 6800 3465 1 74086 74968 103013 89845 402449 404476 1 1549 1 30536 35653 36462 438.3156 *438.3221* 438.3221@1.066818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.3221 *438.3366* 438.3366@1.1258507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2827 4069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1452 1311 1 1 1 1 1 1 1 1 1 1 438.3366 *438.3532* 438.3532@1.2067717 1 1 1 1 1035 1 1418 1 1 1 1 1 1 1 1124 1 1 1 1 1 1087 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1 1755 1 1 1 1 1 1 1 1 1188 1 1 1 1 1448 1 1 1 1 1 1 1 1 1069 1162 1 1154 1 1 1 1044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 438.3532 *438.3535* 438.3535@1.2059405 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1578 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 1 438.3535 *438.7499* 438.7499@1.0334684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 438.7499 *439.0509* 439.0509@5.6818166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 439.0509 *439.1005* 439.1005@2.0629623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28103 1 1 1 439.1005 *439.2015* 439.2015@1.0780488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.2015 *439.2204* 439.2204@7.0430355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2339 2175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.2204 *439.2604* 439.2604@0.80389535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1818 1 1 1 1 1 1 439.2604 *439.3072* 439.3072@4.2681785 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 439.3072 *439.3076* 439.3076@5.85533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.3076 *439.321* 439.321@1.1354525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1703 1 1 1 1 1 1 1 1 1 439.321 *439.3321* 439.3321@1.2076368 1 1 1 1 1 1 1041 3371 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.3321 *439.3388* 439.3388@1.2053033 1 1 1 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 1006 1 1 1 1 1 1 1 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 1 439.3388 *439.3508* 439.3508@1.2058979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8480 1 1 1 1 1 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 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 439.3508 *440.0972* 440.0972@2.0636256 1 77463 1 1 1 1 1 1 1 1 1 1 2874 1 100569 1 1 1 1 1 1 1 1 1 67328 1 1 79313 58764 61007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15176 1 73136 71119 4763 1960 1 1 1513 1645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85148 85687 1 1 94545 1 1 1 1 3702 1461 75408 1 1 440.0972 *440.1063* 440.1063@2.0645702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 3357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2593 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 1661 1 1 1 1 1 1 1 1 440.1063 *440.1561* 440.1561@1.1731797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.1561 *440.1902* 440.1902@1.1616536 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.1902 *440.2078* 440.2078@1.0897183 1 1 1 1 1 1 1 1 1 1 1 1 1 1249 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1 2727 1894 1 2089 1 1 1 1 1 1 2885 2321 2544 3057 1 1 1 1 1 1 1204 1929 1 1 1 1388 1 1 1 1 2136 1525 3600 2047 1 1 1 1 1 1 1 1 1 1 440.2078 *440.2126* 440.2126@1.0756487 1 1 1 1 1 1 1 1 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 1455 1 1 1 1 1 1 1 1 1 1 1 1303 1 1 2194 1 1 1 1 1 1 1 1 1 1 1 1 1780 1 1 1332 1 1 1 1 1 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2126 *440.2515* 440.2515@1.0679327 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2515 *440.2568* 440.2568@5.569425 1828 1 1 1889 1680 1646 1 1609 1 1 1789 1 1488 1 1761 1795 1652 1 1 1317 1164 1 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2021 1741 1 1970 2100 1 1 1 1930 1827 1 1 1 1790 1810 1586 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1436 1174 1 1 1 1 1 1 1 1 1 440.2568 *440.263* 440.263@1.0681828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.263 *440.2904* 440.2904@1.0338135 3755 1 1 1 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 1965 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.2904 *440.2912* 440.2912@1.4345299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1706 1 1 1 1 1 1 1 1 1 1 1 440.2912 *440.2949* 440.2949@6.9506783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2106 1 1 1 1 1 2217 1 1 1 1 1 3200 1 1 1 1781 1 1 1 440.2949 *440.2973* 440.2973@1.0281962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 440.2973 *440.307* 440.307@1.1857028 1 1 1 1 1269 1022 1 1136 1 1 1 1 1 1 1 1 1400 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 1636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1550 1 440.307 *440.3103* 440.3103@1.1844835 1 1 314728 312948 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 2283 3817 1 1 1 1 3169 2052 1 1 1 1 7211 6734 1 1532 1 1 1 1 1 1 1619 1 1 1 2143 2483 1 1 2051 2737 1 1 1 1 1 1 1 1 1 1 1 4348 2116 2422 1 1 1 1 214020 7710 2159 1986 1 1 1 1 115447 5717 1 1 5409 1 1 1 1 1 1 1 1 1 440.3103 *440.3201* 440.3201@7.1405697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3049 2982 2772 1850 1 1 1 1 2972 3054 1 1282 1 1 3169 3132 1780 1470 1 2185 2650 3107 4460 3819 2954 3224 4202 3353 440.3201 *440.3509* 440.3509@1.2117434 1 1 1 1 1 1 1 1 1 1 1684 1598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2033 1 1 1 1 1 1 1 1 1 1 1 1 2295 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 440.3509 *440.3557* 440.3557@1.2107375 1 1 1 1 1 1 1 1 1 1 1 1 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 1843 1 1 1 1 1 1 6500 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3557 *440.781* 440.781@4.6827188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 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 24434 24796 33202 33890 28428 30487 8865 17727 26891 26361 22515 22963 10338 11291 8261 7838 21285 21023 15506 15109 23233 23407 11363 11159 9623 5759 18592 18905 27407 26743 440.781 *441.2833* 441.2833@4.68384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6277 6297 8517 8383 7513 7104 4797 4422 7033 6440 5697 5387 3176 2467 2363 2449 5174 5445 3531 3713 5681 5630 2773 3096 2791 2905 5017 5203 7171 6996 441.2833 *441.294* 441.294@1.0432141 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 1 1 1 1 1 1 1 1 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 1 441.294 *441.3088* 441.3088@1.0448701 1 1 6123 5106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5737 5910 1 1 1 1 1 1 1 1 1 1 1 1 5634 4949 1 1 1 1 1319 1 3500 2813 1 1 1 1 1 1 1 1 1 1 1418 1 1 1 4881 7807 2186 1227 1 1 1 1 4819 5313 1 1 1 1 1 1 1 1 1 1 1 1 441.3088 *441.3138* 441.3138@1.2005705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1223 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 1 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 441.3138 *441.3226* 441.3226@1.2038807 4683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 441.3226 *441.3295* 441.3295@1.2020047 1 1 1 1 1 1 1038 1 1 1 1134 1346 1 1 2526 1 1 1 1 1 1 1 1 1 5937 7118 1 6165 1 1 12565 14309 1 1 1 1 3767 3706 1 1 1035 1466 1 1 9942 9728 1 1 1 1 1 1 1 1 4726 5082 1 1 1 6894 1 1127 5624 9626 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 1045 1 1196 1040 1 1 1438 1274 1 1 441.3295 *442.1138* 442.1138@2.0708423 1 1023 1 1 1 1 1241 1685 1 1 1 1311 1 1 1 1 1 1 1415 1 1 1137 1379 1 1 1 1 1 1 1 1 1 1 1 1096 1 1649 1901 1 1 1769 1 1 1 1571 1 1 1 1 1 1 2239 1 2112 1 1 1 1 1 1653 2228 2121 1581 1 1 1513 1 1154 1 1 1 2015 1 1115 1 1 1 1 1 1 1 2754 2082 1684 2277 1 1874 1 2161 2495 442.1138 *442.1446* C33 H18 N2 1697 1834 5677 5536 1 1 1825 1999 2500 2512 1 1247 1837 1652 1410 1482 1687 2167 1804 2098 1535 1544 2221 2122 1317 1 1342 1502 1 1 2741 2162 1 1814 1 2638 3337 3487 3993 3667 5166 5351 2008 2259 1 1056 1947 2053 1766 1959 1 1 1737 1 1772 1661 2060 2024 6524 6413 1177 1728 4612 4540 1 1 2081 1967 4273 3974 1 1 1 1242 2538 2724 1 1 1 1 1 1 1 1 1 1 1 1 2501 2352 442.1446 *442.2016* 442.2016@4.1187696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3717 4184 442.2016 *442.2351* 442.2351@1.2011104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3111 5307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2351 *442.2801* 442.2801@1.0674337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3265 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2231 3761 1 1 1 1 1 1 1 1 1 1 6023 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4514 2016 1 1 1 1 1 1 442.2801 *442.2813* 442.2813@1.0646926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 442.2813 *442.2899* 442.2899@1.0478932 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 6483 6041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2899 *442.2978* 442.2978@1.0523496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2115 1 1 1 1 1 1 442.2978 *442.9649* 442.9649@4.700094 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 442.9649 *442.9658* 442.9658@4.7395506 1 1 3412 3226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1496 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.9658 *443.1065* 443.1065@2.069849 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.1065 *443.1086* C20 H29 N O2 S4 2003 2081 1608 1968 1606 1 2204 2552 1 1625 2332 2538 2014 1665 1917 1 1876 1965 3441 2398 2320 1825 3132 2752 1909 1689 1 1469 1812 2163 2108 1736 1 1 1959 1998 3256 3458 2143 1981 3273 2857 2240 2214 3337 2975 2276 2107 2841 2642 4861 4466 4861 4191 2816 2316 1520 1953 2658 2570 4777 4082 2356 2893 2999 2729 1398 1 2231 2243 2676 1 1981 1892 1787 1442 1 4451 1960 2095 4951 5322 4251 4956 4767 4775 3399 3477 5065 5377 443.1086 *443.1341* 443.1341@1.9359807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 1 1 1 1 443.1341 *443.1727* 443.1727@4.939534 1268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.1727 *443.2026* 443.2026@5.550811 1 1 3389 3401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1065 1 1 1 1 2820 1906 1 1 1 1 1 1 1 1 1 1 1 1088 2666 2449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2732 2865 1441 1006 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 443.2026 *443.2524* 443.2524@1.2037663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.2524 *443.2964* 443.2964@1.0947518 1 1 1 1 1 1 3544 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.2964 *443.306* 443.306@4.741378 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.306 *443.3099* 443.3099@1.0260139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 443.3099 *443.3253* C21 H37 N11 1 1271 11366 11547 3418 1 2215 3800 1 3504 1750 1976 1475 1447 1 1947 1349 2552 1904 1 1901 3245 3791 2869 1 1 3200 1 3569 2989 1 1 1972 1 1855 1680 1 1 2385 1941 2392 2479 1 3306 1 1 1413 4465 2683 3897 3315 5116 3357 2556 1 1 1930 1539 7207 1 1391 2897 1 1 1378 1459 1351 1333 6413 6865 3205 3337 1277 1027 1308 2321 3921 5448 3243 3256 1419 2222 9652 1 1 1289 1 1532 1499 1 443.3253 *443.3278* 443.3278@1.1908143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 443.3278 *443.3538* 443.3538@1.091662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3538 *443.3594* 443.3594@1.0952226 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 1117 1 1318 1 1097 1019 1411 1 1 1 1093 1 1 1 1 1 1 1039 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3594 *443.9267* 443.9267@5.480708 1 1 1 7512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.9267 *443.9292* C11 H8 O15 S2 7120 7591 7663 1 7424 7786 8013 7967 7562 7510 7133 6944 7183 6950 7126 8012 7315 7534 7670 7728 7535 8061 7532 7522 7053 7114 7845 7122 7149 6874 7673 8431 8173 8058 7311 7187 7369 7254 7683 8285 8213 7770 7444 7744 7461 7896 7448 7376 8190 8290 13151 13518 11069 10828 9707 9649 8422 9249 8723 8530 12299 12226 8069 8004 10552 10494 10542 11158 8355 7493 15458 15177 8199 7437 9629 9558 13975 14078 13213 13306 14875 14478 13995 13390 14552 14161 13149 12846 10410 10820 443.9292 *444.1261* 444.1261@1.9399779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1 1 444.1261 *444.242* 444.242@1.1342951 1 1 1 1 1703 1652 1 1 1479 1148 1 1 1 1 2428 2475 1 1 1620 1 1 1517 1703 1801 1529 1 1 1496 1819 1683 2305 2313 2111 2268 1 1941 1 1 1551 1 1439 1661 1 1 1 1 1769 1 1 1716 1797 1 1244 1917 1873 1840 1 1 1450 1720 1 1 1 1 1 1 3676 2832 1 1 1 1 1 1 1 1 1 1 1463 1524 1 1 1 1 1 1 1 1 1 1 444.242 *444.2596* 444.2596@1.2057656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 444.2596 *444.2823* 444.2823@5.6206627 1 1 1 1 1 1 1 1 1 1 1032 1 1361 1 1 1 1 1 1 1 1 1 1 1 2170 1 1 1 1 1 1 1288 1 1 1 1 2139 2264 1 1 1 1 1391 1895 2028 1322 1 1467 1 1 1 1 1 1 1 1 1 1 1 1846 1 1 1 1 1 1 1 1 2485 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2823 *444.2827* C19 H32 N12 O 3835 4250 43309 41577 15968 14009 10930 10999 10465 10879 9190 11160 18157 16454 1 3186 6086 5471 10868 11155 4739 6615 3331 4370 25097 24983 6133 6398 7140 2676 32248 32113 2639 1839 6433 7190 12744 13719 8239 8684 9190 9405 16084 15976 34022 32201 13587 13310 9256 8541 4539 3499 13587 13706 5758 6060 8437 9086 6731 5551 11621 11910 9968 9729 12970 9589 3148 3039 25919 35907 26407 26197 4464 4844 4151 4140 22914 23017 14837 14636 3682 3915 3669 3883 6147 6639 1907 5274 3048 2968 444.2827 *444.2843* 444.2843@5.7334194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3984 1 1 1 1720 1 1 1077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3023 1 1 10857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3937 1 1 1 444.2843 *444.2916* 444.2916@1.159099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.2916 *444.3162* 444.3162@1.2026329 1 1 1 1 1 1 6318 1 1 1 1 1 1 2507 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 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 444.3162 *444.323* 444.323@1.2066967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.323 *444.3299* 444.3299@1.2020433 1 1 1 1 1 1 1 1 1 1 2899 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 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 6338 1 1 1 1 1 1 1 444.3299 *444.7621* 444.7621@4.363568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1846 1699 1 1 1 1 4229 3878 1 1 1 1 1 1 1 1 1 1 1 1 1688 1610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2186 1956 1 1 1 1 1 1 5382 5668 1421 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.7621 *444.7833* 444.7833@5.6182213 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 444.7833 *444.7838* C10 H Cl2 N O5 S5 1345 1 17627 16530 5613 5849 4347 3840 3161 4070 3156 3291 7164 6963 1 1 2212 2305 3952 4202 1 1855 1 1 10076 9312 2203 1771 2005 2548 12955 12153 1 1 2035 2061 5284 5268 2854 3139 2536 3773 6543 6318 14048 13226 5039 5065 3493 3237 1 1 5420 5229 1794 1902 2581 2550 2280 1 4254 4522 3992 4091 4678 5125 1 1 13926 14436 10378 9715 1515 1627 1 1466 9399 8704 5544 4873 1677 1370 1 1 1964 2495 1717 1 1 1 444.7838 *445.1863* 445.1863@1.1993334 2785 2517 1 1 4455 1 1 1 1 1 1 1 5538 5087 3101 1 4386 4908 1 1 1 1 1 2885 1 1668 1 1 3135 1 3771 1 3345 1 3106 3098 1 3620 3670 1 3291 1 1 3384 1 1 3170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2253 1 1 3605 3972 1 1 1 1 1 1 1 1 1 1 1 1 2314 1 1 1 445.1863 *445.1877* Tyr Tyr Thr 1 1 2485 1 1 4234 1 3175 4972 1 1 1 1 1 1 2995 1 1 1 1 1 2311 1 1 2253 1 1 5479 1 2747 1 1 1 1 1 1 3516 1 1 1 1 2776 1 1 1 3029 1 3119 1 2178 1 3223 1 2308 1 3281 1 1 1 1 1 1 1 1 1 1 4287 1 1 1 2229 1 1 1 1 1 2735 3114 1 2297 1708 2590 3164 2712 2224 1750 1 1840 3142 2966 445.1877 *445.2033* 445.2033@1.2051829 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2033 *445.2321* 445.2321@1.1457877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 445.2321 *445.2399* 445.2399@1.1247473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2399 *445.2477* RO 40-5966 (Methylmibefradil Metabolite) 2886 2817 4438 1 1 2115 2087 2590 1392 2755 1703 1 2986 2190 3260 2340 3139 4850 2734 2773 1151 2917 1574 1669 2405 3510 2450 4673 2224 3491 1 2590 3664 1 1 1 2688 2025 2279 1 2846 1 1 1 2159 1 3836 2827 2556 1 2498 2232 1789 2558 2655 1 1851 1 1 1 1753 2768 2943 2599 2670 2973 2730 3039 3537 3190 2506 2356 1958 1 1 1 2792 3357 1 2828 2123 2988 1 1 1 1 1 1 1 1 445.2477 *445.2504* 445.2504@1.0909402 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2504 *445.2513* C23 H43 N O S3 2905 2525 5075 5540 4496 4079 4014 4269 4017 4038 4024 4227 15412 15448 2758 2513 1 1 5110 5819 2887 1 2452 2504 3762 3561 4678 4406 9134 8591 3646 3552 2040 2236 2537 3299 3093 2710 2570 3188 3178 2886 6292 6862 6180 6219 4970 4842 4165 4360 3098 3409 3292 4046 3856 3956 4775 4441 4222 4499 10896 10087 2689 2875 2713 2829 1819 1895 4132 4436 4259 4116 2476 2701 2127 2159 2863 2936 12131 11819 2392 2649 1981 1990 2581 2653 1955 2488 5440 4590 445.2513 *445.2569* 445.2569@1.0931513 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2569 *445.2646* 445.2646@1.2043098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2646 *445.2647* 445.2647@4.3497624 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 2064 1956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2647 *445.2787* 445.2787@1.2151631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2787 *445.2854* 445.2854@1.2095461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2854 *445.2886* 445.2886@3.0000496 1 1 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 6294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2886 *445.2977* 445.2977@1.1945106 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.2977 *445.3096* 445.3096@1.1902926 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.3096 *445.3167* 445.3167@1.2071142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.3167 *445.8836* C21 H2 O4 S4 1513 1787 1658 1681 1586 1720 1605 1939 1632 1906 2179 1750 1717 1626 1757 1713 1566 1454 1685 1587 1812 1931 1646 1713 1618 1304 1708 1995 1452 1 1753 1898 1712 1884 1835 1882 1807 1698 1869 1875 1812 1853 1954 1822 1658 1765 1883 1618 1981 2469 2467 2563 2346 2536 2133 2299 1884 1976 1584 1950 2523 2872 1873 1837 2146 2257 2042 2067 1761 1974 2619 2604 1956 1796 1742 1863 2192 2308 2670 2738 2580 2576 2437 2506 2311 2820 3007 2427 2180 2354 445.8836 *446.1008* 446.1008@0.83909076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1008 *446.105* 446.105@5.826088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 446.105 *446.166* 446.166@1.0330199 1 1 1 1 1 1 1 1 2913 4184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7264 4944 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 13155 12863 1 1 10060 9410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.166 *446.1729* 446.1729@1.0327972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1729 *446.1911* 446.1911@1.1994326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.1911 *446.2009* 446.2009@1.1498568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.2009 *446.2118* 446.2118@1.1441444 1 1 1 1 1 1 1 1 1 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 1 1 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 1 446.2118 *446.3052* 446.3052@5.8553243 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 446.3052 *446.307* C22 H38 N8 O2 3179 2126 2395 1 2877 1 1 4209 2234 1193 2900 2643 1749 1 2197 1964 3955 5231 3064 1 2916 2638 1 2331 2626 1 1 1 1988 1195 2298 2014 1 1694 1 2007 1 1 1994 2406 1 2908 2061 2460 1 1 2176 1993 1546 2312 1 1394 1 3263 2414 1 3122 4103 3646 4615 10954 6969 3025 1531 1994 3263 1419 1 1962 2120 2165 1938 1789 3227 3192 3019 2201 3544 1 1585 3280 3188 1 1 2704 3867 4160 1 1 8719 446.307 *446.3116* 446.3116@1.2055725 1 1 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 2493 1 1 1 1 2622 1 1 1 2012 1 1 1 1 1 1 1 2624 3198 1 1 1 1 1 1 3535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2025 4038 1 1 1 1 8595 1 446.3116 *446.3267* 446.3267@1.0629815 1 1 1 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 1 1 1 1 1 1 1 1 446.3267 *446.336* 446.336@2.8588843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 446.336 *446.3411* 446.3411@1.0205553 3441 1 1 1 1 1067 2136 1 1 1 1 1 1952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1 1 1 1341 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 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4765 5342 3656 3983 1 1 1 1 6692 1 446.3411 *446.7606* 446.7606@5.7020006 1 1 2869 2912 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 2062 2194 1 1 1 1 1 1 1 1 1 1 1 1106 2578 2291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2643 2889 2245 2486 1 1 1 1 1851 1676 1 1 1 1 1 1 1 1 1 1 1 1 446.7606 *447.1902* 447.1902@6.6675825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1574 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3717 3481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1760 1 447.1902 *447.2218* 447.2218@1.2017851 1 1 1 1 1 1 1 1 1 1 1 1 1229 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.2218 *447.228* Ser Trp Arg 2224 3593 1 1223 1596 3311 3830 1 1 1708 1 1 1 1 1673 1222 1673 2065 1 4397 1 1735 1 1 1 1222 1828 1 1 1 2415 2323 1 1237 1 1275 1 2176 1 2014 3485 1 1 1 1 1 1 1 1 1 1 2090 4345 1 1 1 1700 1 1 2438 1 3626 1 1565 2726 1 1 1 1 1 1454 1 1 1433 1 1 1 1 1 1 3661 1 1 1 1 1 1 1 1575 1 447.228 *447.2298* C22 H33 N5 O3 S 4753 1 1219 2881 1 1 1 2619 2018 1303 1 1 1 1 1294 1 1 1 2444 1 4747 2720 1360 1 1327 1564 3039 3397 1552 3007 2483 3099 3336 5069 1222 1 2160 2759 5366 6191 5236 2091 2699 2609 1 1 2067 3518 2959 2043 3310 5245 2007 4920 2889 1683 2178 3595 3823 1 13443 1 3318 2004 3624 4007 5489 5773 6250 2876 4213 4204 1 1 3475 1 4431 1 1958 2039 1024 1813 1959 2420 3584 1 2014 3710 1 1912 447.2298 *447.2369* 447.2369@1.1575272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1380 1 1 1 1 1 1 1 1 1 1 1 1 3975 1 1 4410 1 1 1 1 1 1 1 1 2680 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 1632 1 1 1 1 1 1 1 1 1 1 447.2369 *447.2506* 447.2506@1.2032688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 447.2506 *447.2639* 447.2639@5.7085066 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.2639 *447.2804* 447.2804@1.0905229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1489 1 1 1 1 1 1 1 1 1 1 1 1220 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.2804 *447.2962* 447.2962@1.0925976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1104 1 1 1 1247 1 1 1 1 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1474 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 3364 3634 1 1 3329 3308 1 1 1 1 1 1 447.2962 *447.3053* 447.3053@1.2046373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.3053 *447.3418* 447.3418@1.0156593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1399 447.3418 *447.3535* 447.3535@1.0195762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 447.3535 *448.0792* 448.0792@1.9394886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1651 1 1 1 1 1 1 1 1 1 1 448.0792 *448.1414* C13 H16 N14 O5 1 1 7170 7103 8272 1 7987 1 7350 7089 7069 8721 7849 1 7174 7391 8939 9050 7137 1 7831 1 1 1 1 8220 8715 8883 8940 8692 9390 1 7248 7129 7052 6391 6788 1 1 5169 10652 11092 8707 7897 8602 1312 7483 1 1 1 9244 8767 9988 8126 9174 1384 6506 1 9393 9489 16903 17224 12711 1907 14040 13722 10603 10008 9388 10021 1 6396 1 1 1 1 1 1 1 1 1 1 7227 7264 1 1 1 8481 5695 1 448.1414 *448.1422* C20 H24 N4 O6 S 22866 23474 21825 21856 25385 26485 25279 23170 24816 25290 18568 18542 29392 29230 24251 23377 27976 27946 26647 23070 22636 22390 23083 22640 20342 19885 20822 20699 24085 22401 15488 15749 16586 18403 18876 17194 21427 18991 23560 25121 18328 20607 21262 23681 20052 20953 21155 21451 22145 20655 19065 17658 19199 18332 17700 17500 16802 16461 12115 12155 6724 6343 6499 6794 5273 5110 4530 4311 6655 6525 17555 16344 20150 20468 20114 20340 19362 17708 16965 17374 13887 13684 16137 16819 13355 12266 19438 17590 18902 19136 448.1422 *448.1702* C20 H36 N2 O S4 2269 2310 1 1 2713 2655 1 1 3523 3539 2065 2503 1 1 1 1325 2277 2461 4011 4157 2143 2128 1 1 1 1 1957 1 1 1 1 1 4108 3798 3410 3307 3705 3840 1 1765 1 1 1817 2108 4067 3254 3525 2249 1920 1753 1 2031 2012 2090 1386 1 1 1 1555 1 2075 2243 1 1 1 1665 8646 9150 3254 3413 3777 3674 1 1 2738 2867 1 1 2319 2342 2902 2980 1 1 6249 5997 2561 2440 1 1 448.1702 *448.2455* 448.2455@1.1995656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.2455 *448.3006* 448.3006@0.998019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 1 1 1 1 1 7017 6048 1 1 1 1 1 1 1 1 15148 12978 1 1 1 1 1 1 1 1 9266 11303 18342 17504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2897 4915 1 1 1 1 1 1 1 1 1 1 1 1 15418 15809 1 1 1 1 1 1 448.3006 *448.3112* 448.3112@1.1068606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2432 1 1 1 1 1 1 1359 1839 1 1923 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 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 1 448.3112 *448.3185* 448.3185@1.089129 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 1756 1 1 1 1 2949 1879 1 1 1 1 1 1 1 1 1934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.3185 *448.3277* 448.3277@1.0679111 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 1 1 1 1 1 1 1 1 1 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 1 448.3277 *448.3366* 448.3366@1.0739405 1 1 1 1 1214 1 3373 3466 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 2098 3352 1 1 1 1 1 1247 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 2321 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 1 1 1 1 1 448.3366 *448.953* 448.953@6.8640366 1 1 4737 4653 1 1018 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 2481 1 1 1 1 1 1434 1 1 1 1 1 1122 3280 2769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3116 3567 2142 2030 1 1 1 1 1 1888 1 1 1 1 1 1 1 1 1 1 1 1 448.953 *449.0904* 449.0904@1.6352763 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 449.0904 *449.0908* C28 H11 N5 O2 1 1 2922 2989 2507 2040 3461 3506 2661 2648 4790 5512 2648 2219 3282 3931 1 1754 3907 3473 2078 2750 1453 1 1526 2198 5355 4381 1 1333 2667 5302 5400 5187 2137 3615 3000 3242 2596 2701 3285 3423 3838 4099 1 1553 3481 4118 2951 2910 4191 3656 2285 2283 1 1 1 1872 1 1 10684 8755 3184 2716 5827 6309 2533 2975 5600 4732 5144 5467 4915 4937 3471 3423 9942 6681 4577 4532 3487 4003 6150 5484 12019 16450 8305 7978 2087 2100 449.0908 *449.1396* 449.1396@2.0693069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.1396 *449.2158* 449.2158@1.1247541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 449.2158 *449.2172* 449.2172@1.1067809 1 1 1 1 1 1 1 1 1 1 1 1 4098 1907 1 1 1 1 2697 2696 1 1 3178 1 1 1 1 1 1 1 1 1 4535 2683 2622 1 1 1 1 1480 1 1 1 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2036 1703 1 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3094 1 1 1 3268 1 1 449.2172 *449.22* Arg Glu Glu 6117 5537 3802 4345 4094 1 1 4936 1 1 1 5935 3332 2889 3081 1 1 2729 1805 2268 1 1 3009 2981 4158 1 1 5457 2571 3743 2507 6825 1604 2842 3866 1 4596 4151 4637 5060 3192 1 2399 1785 2221 3896 1039 1827 2955 1 3982 6411 1 3099 7174 8257 6283 3840 1 3009 1 2998 3321 4289 2440 3856 4481 1 1 1 1 2513 3881 1 5002 5019 5188 5966 1 3803 3797 3396 1 2331 3976 6139 1 2043 1 3342 449.22 *449.2238* 449.2238@2.0651798 1 1 1 1 1212 1 1 1 1474 1 1 1 1 1 1 1 1 2593 1 1 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 2168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1697 1 1 1 1027 1 1 1 1 1 1 3434 1 2851 1 1 1 1 1 1 1 1 1 449.2238 *449.2249* 449.2249@1.9751699 1 1 1 1 1 1 1 1 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 449.2249 *449.2267* 449.2267@1.3876786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1 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 1 1 1 1 1 1 2809 1 1 1 1 1 449.2267 *449.2268* 449.2268@2.8215592 1 1 1 1 1 1 3256 1 1 1 1 1 1 1862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.2268 *449.231* 449.231@1.1289368 1 1 1884 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 449.231 *449.281* 449.281@6.86521 1 1 2178 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1417 1141 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.281 *449.283* 449.283@1.2028214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 449.283 *449.298* 449.298@1.0195352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.298 *449.3137* 449.3137@1.0246072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4181 7073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.3137 *450.0939* 450.0939@1.639582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.0939 *450.1403* 450.1403@1.0438573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2621 3197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.1403 *450.1494* 450.1494@3.3973308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1244 1 1 1 1 1837 1 1 1069 1084 1 1 1 1 1 1 1 1 1 450.1494 *450.2059* 450.2059@1.0646981 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2059 *450.2149* 450.2149@1.0650007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2149 *450.2318* 450.2318@1.1954443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1318 1 1 1621 1753 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1192 1 1067 1429 1 2562 1 1 1967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1910 1522 450.2318 *450.2364* 450.2364@1.2043415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.2364 *450.3267* 450.3267@1.2044686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1156 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3267 *450.3387* 450.3387@1.213751 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3387 *450.3551* 450.3551@1.0955944 1 1 1 1360 1 1699 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10279 1 1 1 1 1 1 1 450.3551 *451.1853* 451.1853@3.523962 1 1 1 1 1 1 5831 6401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.1853 *451.1865* 451.1865@3.604456 1 1 1 1 1 1 3384 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.1865 *451.272* 451.272@6.972275 1 1 1992 2088 1677 1231 1 1 1 1 1 1 1 1316 1 1 1267 1 1243 1093 1 1 1 1 1653 1846 1 1 1055 1213 1402 1264 1 1 1 1 1052 1072 1 1 1 1 2251 2407 2246 2207 1360 1774 1 1 1 1 1093 1357 1 1003 1272 1 1305 1 1 1 1 1073 1175 1081 1 1 2687 2343 1563 1381 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1 1 1 1 451.272 *451.3146* C23 H49 N O3 S2 1 1 713000 713767 97525 94663 26685 28714 1 1 1 119688 24542 24813 4302 5003 10216 10682 10716 10294 1457 1 4974 1 1 3313152 18638 19836 1 1 64313 1 1 1 1 1 121157 299061 1 1 9988 10601 390974 389996 21224 24147 13013 12930 3610 2505 1461 1038 1 1 27894 26595 61804 1 554787 561477 10024 10198 11321 11834 4541 4098 1 1 25870 24958 682644 686750 1 1 6880 6563 13917 12717 6597 4128 72977 1 21477 20933 3290 3495 1 1 4132 3312 451.3146 *451.3186* 451.3186@1.1341012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4248791 1112247 1 1 1 1 1 1 1 1 1 1 2749 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.3186 *451.351* 451.351@1.2011304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 451.351 *451.3844* 451.3844@1.1970447 1 1 1614 2313 1184 1 1065 1 1 1 1 1 1 1 1 1 1 1 2236 2263 1 1 1 1 1 1 2099 2622 3458 3058 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1215 1 1 1 1 1149 1048 1 1 451.3844 *451.3856* 451.3856@1.1989172 6134 1 1 1 1 1 1 1 3608 2871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3842 3793 1 1 1 1 1 1 451.3856 *451.5115* 451.5115@2.7645617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 451.5115 *451.6863* 451.6863@1.0476176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 451.6863 *451.7521* 451.7521@1.0528747 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 1 1 1 1 1 1 1 1 1 1 451.7521 *451.7616* 451.7616@1.047784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 43682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.7616 *451.7763* 451.7763@1.0499223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.7763 *451.8587* 451.8587@1.0485995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.8587 *451.8924* 451.8924@1.0577648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7660 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.8924 *451.9037* 451.9037@1.0454227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 451.9037 *451.9552* 451.9552@1.0459186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.9552 *451.9854* 451.9854@1.0710267 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 451.9854 *452.0089* 452.0089@1.0526948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 452.0089 *452.1713* Galbeta1-4GlcNAcbeta-Sp 14068 11793 10412 10363 14655 12713 14453 11801 17620 11820 11950 11908 8918 11751 18266 13895 15265 9768 10009 7855 14175 16817 12219 11580 20937 11760 13746 15274 13446 13007 13380 8562 14137 14924 12836 14201 15950 13019 11655 11942 15092 16821 12811 13329 7945 10462 10163 11271 9636 12906 13610 15096 12115 12980 13726 12832 1 12798 13879 16735 11265 15108 9852 11230 12590 16294 10053 11728 8558 11566 16626 13746 12239 10391 8607 7010 12649 14295 7557 11158 13982 12431 13467 12401 11362 12143 10682 8594 9029 15908 452.1713 *452.1787* Galbeta1-4GlcNAcbeta-Sp + 1.1554335 6322 7972 3855 3920 6899 5562 1 1 1 3666 1965 3395 5723 1 1 6095 1 7090 1 1 7357 1 1 7313 4571 1 1 1 5593 1 1 3575 15424 13015 6317 1 1 1858 9072 5892 7180 1 1 1 3436 1 1 6663 6181 4597 1 5027 4094 1 2934 1 1 1 1 1 1 1 7086 1 8932 1 4435 7680 1 1 1 7374 1 6539 8228 6362 6130 1 5903 1 1 1 4882 4952 7072 5575 6122 1 7142 1 452.1787 *452.1824* 452.1824@1.177657 1 1 1 1 1 2256 1 2218 1 4227 1 1 1 2630 1 1 4425 3452 7269 1 1 5363 1 1 1 1 1 1 1 1 7469 6456 1 1 1 1 1 1 1 5903 1 4605 2859 1 1 1 1 1 2457 1 1 1 1 3822 1 1 3311 1 1 1 10822 6255 1 1 1 5439 1 1 1 4192 1 1 1 1 1 2421 1 5905 1 1 1 2135 1 1601 1 1 1 1 1 1958 452.1824 *452.1871* 452.1871@2.0629458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2312 1 1 1 1 1 1 1 1 1 1 452.1871 *452.1931* 452.1931@1.2053797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1402 1 1 1013 1 1330 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 1 452.1931 *452.2071* 452.2071@1.2027668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.2071 *452.3203* 452.3203@1.1056257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 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 1 452.3203 *452.3252* 452.3252@1.0375497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3740 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.3252 *452.3259* 452.3259@6.7466755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1817 1 1 452.3259 *452.3311* 452.3311@1.0239137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 3003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.3311 *452.3364* C24 H44 N4 O4 57433 56193 55067 55852 58729 58261 57953 55874 2457 59597 58094 58282 58890 58117 55263 57040 59007 58761 58849 59341 58091 58044 59864 60332 58692 58521 64061 65215 58119 58925 57935 58581 59950 59273 57859 57828 58318 57077 56076 59130 57211 59334 53280 56649 58161 56845 65393 65783 58655 57725 52679 52116 57029 53269 59867 3984 58172 58935 58414 60350 57519 58383 62034 61699 60266 61074 60223 58811 59383 59103 53667 53669 59787 57531 54922 55746 53715 53451 71330 72252 56676 55011 57423 56908 57749 54642 58440 12430 47828 54990 452.3364 *452.3368* 452.3368@4.5984745 1 1 1 1 1 1 1 1 55801 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 3426 1 1 1 1 1 1 1 1 1 1 1 1 54169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1187 1 45002 1 1 452.3368 *452.3599* C22 H44 N8 O2 1 3869 9585 9233 4642 5035 3804 3701 1 1 1 8443 2652 2615 2522 2598 4144 4557 1 3746 2765 2683 7244 7291 1 1 1 1 3878 1 3294 4766 4512 4313 6980 5116 8959 8582 2320 2226 5208 5190 4218 4109 11411 9216 1 5791 2941 3598 4560 5332 5001 4494 6006 6574 4538 3999 3331 3471 1 1 5542 5823 4230 4817 1 1 3185 4070 4280 4473 7283 7102 3768 4336 2558 2250 6355 5584 2046 2135 1 1 4348 3901 6901 6203 1712 1 452.3599 *452.3631* 452.3631@1.2076161 1 1 1 1 1 1 1 1 7143 4008 1 1 1 1 1 1 1 1 3882 1 1 1 1 1 1 1 3992 8004 1 3886 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 6010 5817 1 1 1 1 4628 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8309 7853 1 1 1 1 1 2556 452.3631 *452.37* 452.37@1.2037668 5921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.37 *452.7025* 452.7025@1.0488875 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.7025 *452.7561* 452.7561@1.0547361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.7561 *452.8737* 452.8737@1.048782 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.8737 *452.8955* 452.8955@1.0500273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.8955 *452.9895* 452.9895@1.0588958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3876 5054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 452.9895 *453.0391* 453.0391@1.048782 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.0391 *453.1717* 453.1717@1.067694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 453.1717 *453.1761* 453.1761@1.1168895 1 1 1 1 1 1 1 1 1441 1 1 1 1 1 1 1 1 1 2731 1 1 1 1 1 2488 1 1 1 1 1 1 3075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 1 1 1 1 1 1 2966 1 3280 1 1 1 1 1 1 1 3919 1 1 3286 3464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3876 1540 1 453.1761 *453.183* 453.183@2.0624464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5435 1 1 1 1 1 1 1 1 1 1 453.183 *453.1855* 453.1855@1.1416161 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3108 1 1 1 1 1 1 1 1224 1 1 1 1 1 2305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.1855 *453.2814* 453.2814@1.1335036 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.2814 *453.2866* 453.2866@1.0314387 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.2866 *453.2976* 453.2976@1.0347732 2472 1 1 1 1 1 3199 1 2998 3159 1 1 5270 3998 3731 1 2759 1 3008 2644 3851 2605 4255 1 1 1 3327 2370 3385 2894 1 1 1826 2446 1766 2109 1 1 2329 1 2144 1672 1 1 2423 1 2253 2073 1 1 1907 2499 1 1849 1 1 1 1 1 1 2324 2582 1 1 1743 1052 1 1 1 1 1 1 1571 1 1885 1 1 1 1 1 1 1 1 1 1 1 1 1 3017 1664 453.2976 *453.3* 453.3@1.0340235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 453.3 *453.365* 453.365@1.2071439 1 1 1 1 1 1 10002 10012 1 2084 1 1 7117 7174 2060 2165 1 1 3009 5039 2234 2414 1 1 1484 1 2203 1 7167 2524 1 1 1 1 1 1 1 1 1950 3451 5946 6594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6240 5938 1 1 1 1 1 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1228 1558 1 1 1 1 1 1 1 1 453.365 *453.6922* 453.6922@1.0484056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4979 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 1 453.6922 *453.771* 453.771@1.0520272 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.771 *453.8463* 453.8463@1.0510272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.8463 *453.9229* 453.9229@1.0657493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 453.9229 *454.0241* 454.0241@1.0507783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.0241 *454.1538* 454.1538@2.9936123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1779 1 1 1 1 1 1 1 1 1 1 454.1538 *454.1811* 454.1811@3.9877827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1971 1 1 1 1 1 1 1 1 1 1 454.1811 *454.1821* 454.1821@0.6490785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1821 *454.1835* 454.1835@1.9423897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 454.1835 *454.2102* 454.2102@1.1549675 1803 1 1 1 1 1 2794 3108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 454.2102 *454.2177* 454.2177@1.1549802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2948 1 1 1 1 1 1 1 2503 2212 1 1 1 1 1 1 1 1 3074 3095 1 1 1 1 1 1 1 1 1 1 454.2177 *454.2248* 454.2248@1.1520623 1 1 1 1 1 1 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 1 454.2248 *454.2853* 454.2853@1.0442669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 9391 1 1 1 1 1 1 1 1 454.2853 *454.2899* 454.2899@1.0401934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3182 1 5424 1 1 1 1 1 1 1 1930 1 1 1 1 1 1 1 1 2096 1 1 1 1 1 1 1 1 1 1 1 3355 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7474 1 1 1 1 1 1 1 1 1 454.2899 *454.3014* 454.3014@1.0398619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4998 4753 1 1 1 1 1 1 454.3014 *454.3091* 454.3091@1.086605 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3979 1 1 1 1 1 1 454.3091 *454.3272* 454.3272@1.1815643 1 1487 1 1 3384 4217 1184 3684 1070 2344 1 1 3034 1 4345 2388 4060 3858 2670 5620 4070 4248 1077 1977 1814 1 1 1 1 3644 1 1376 2875 3637 2398 2262 1 1 3665 3299 4188 5128 2500 2764 1 1 1 2238 1847 3694 4862 5471 4100 3303 2132 1372 1 1 3508 1612 1 2120 5606 1302 1 4964 1 1 1 1 7609 7699 1 1 1 1 1 1 1 1 1155 1 4398 5169 1 1 2590 3055 2913 2321 454.3272 *454.3323* 454.3323@1.191301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1713 1 1 1 1 1 1 1 1 454.3323 *454.3581* 454.3581@1.2070181 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.3581 *454.3737* 454.3737@1.2094716 1 1 1 1 1 1 1 1 1 1426 1 1 1 1 1061 1431 1 1 1077 1 1 1 1 1 1204 2842 1716 1 1 1934 1 1 1 1 1 1 1 6069 2441 1 1 1 6216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.3737 *454.3767* 454.3767@1.208353 1 1 1 1 1 1 1 1 1 1 1 7412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5230 14851 1 1 1 1 1 1 5670 14304 14768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.3767 *454.5008* 454.5008@1.048782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.5008 *455.1297* C26 H21 N3 O3 S 4066 4259 3143 2983 1 1 1659 1686 4209 3918 2832 2669 4056 4199 5099 4932 3382 3450 3617 3321 3402 3271 4327 4031 3721 3813 4034 3640 3171 3434 2435 2903 1 1 1937 1748 2835 2703 2939 3454 2341 2420 1237 1313 3317 2893 2339 2510 3724 3592 4323 4222 3640 3314 4591 4557 2456 2904 2779 3226 4625 4346 2331 1973 3712 3488 1 2863 3267 3437 4113 4222 1 1409 2102 1911 4557 4902 2593 2456 4810 4616 2361 2394 2985 3065 4129 3638 3092 3232 455.1297 *455.1918* 455.1918@6.2207117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2013 455.1918 *455.1935* 455.1935@6.3647213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2323 455.1935 *455.2919* 455.2919@1.1945584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 455.2919 *455.3114* 455.3114@1.055865 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.3114 *455.3219* 455.3219@1.1975431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1347 1 1 1 1 1 1 1 1 1 1 1 455.3219 *455.3272* 455.3272@1.1897092 1 1 3973 3407 1 1316 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3001 1880 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 1280 1 1 1 1 1 2067 1 1 1 1 1 1 1 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 455.3272 *455.3513* 455.3513@1.1694659 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 2213 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 455.3513 *455.3598* 455.3598@1.1525569 1 1 1 1540 1 1 1 1 1 1 4589 4640 1 1 1 1 1 1 1 1 1 1 1 1308 1706 1 3629 3320 1 1 1 1 1 1 1 1078 3204 4507 1 1 4062 2762 1 1 3771 4092 1 1 1 1 1 1 1 1 2760 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 2009 1982 4566 4377 1 1 1322 2033 1 1 455.3598 *456.127* C16 H29 Cl N4 O5 S2 28354 29913 22297 21564 7486 7573 12754 12442 28758 29086 18199 19271 29716 29702 36617 36727 1 26082 23542 22979 23130 22572 27576 27885 25132 25510 27585 27051 21746 23117 18599 19629 1331 1370 14276 14276 21170 21367 22166 22205 15643 16289 7267 6823 22202 22071 17200 16994 27008 26120 1 29828 25085 24748 32018 32850 18064 18229 20155 21537 30218 30350 13635 12190 23674 24220 20508 20481 23255 24006 29670 28663 9591 9157 13563 14747 31301 31974 14621 15704 33574 34213 15527 16373 19312 20467 1 26088 20530 21908 456.127 *456.1318* 456.1318@2.899348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6468 3766 5554 5712 4339 4015 1 1 1 1434 5141 4563 1 1 4409 4220 2179 2059 1 1 1 1 1 1 2188 2098 1796 1479 1567 1243 1 1 1 1 1 1 1942 1718 6368 5561 456.1318 *456.2463* 456.2463@1.0780944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.2463 *456.2547* 456.2547@1.0755798 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 1352 1 1 1 1 1 1142 1 1 1 1 1805 2304 1 1 1 2333 1 1 1 1 1 1 1 1 1560 1 1 1 1 1 1 1 1141 1 1 1 1452 1 1 1 1 1 1 1 1 1 1 1 1 1 456.2547 *456.2619* 456.2619@1.0752751 1 1 1 1 1 1 1 1 1 1 1 2711 2206 1 1685 2015 1 1 1 1 1862 2005 1 1 1 1 1 2237 1 1783 1 1 1 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1245 1378 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 1411 1 1464 1 1667 1 1 1 1 1 1 1 456.2619 *456.2661* 456.2661@1.0528897 1 1 1 22079 1 3344 1477 2399 1 1 2456 2020 1 1 1 1 1 1 1 1 1 1 1 1 107840 105027 1 1 2532 1 3638 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 2278 2084 1 1 3712 1 1 1 1 1 1 1 1 1 1 2878 1 1 1 1 1 2505 1 1 1 1 1 2424 1 1 2436 1 1 1 456.2661 *456.2673* 456.2673@5.6116347 1 1 1 1 1 1 1675 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 1668 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 1 456.2673 *456.2772* 456.2772@1.0339069 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 456.2772 *456.2852* 456.2852@1.0319067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1445 1133 1 1 1 1900 1 1 1 1 1 1 1 1039 1 2161 2134 1582 2805 1 1 1 1 1712 1 1 1194 1 1 1 1 1 1 1 1 1 1 2086 1 1 456.2852 *456.3016* 456.3016@1.0287673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6117 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2040 1 1 1 1 1 1 1 1 1120 1717 1 1 1 1 1 1 1 1 1 1 456.3016 *456.3111* 456.3111@1.0219829 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 1 2533 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 6532 3857 1 1 1 1 1 1 456.3111 *456.3905* 456.3905@4.361334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.3905 *457.1237* C13 H19 N11 O6 S 78253 1 57682 58782 19438 19966 33151 33486 74758 77124 51007 48932 76543 76777 1 96652 63920 68256 65296 62769 60354 61158 74302 75777 1 66865 71933 1 1 1 50898 50059 2894 3001 37747 36279 54985 55609 58922 57117 40921 42779 19069 18192 56290 57651 45079 46809 1 1 81635 78373 66170 65344 86044 84870 46938 47713 55537 55662 78925 79943 36080 33893 63224 62708 51843 52345 62700 63464 78302 78555 24432 26142 37374 38198 1 1 41208 41699 1 90418 41128 45341 51569 52489 71765 1 57805 56176 457.1237 *457.2087* 457.2087@1.968313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7421 7338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.2087 *457.2217* 457.2217@1.0928059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.2217 *457.2302* 457.2302@1.1125157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.2302 *457.2335* 457.2335@1.1133757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1586 2255 1 1 1 1 1 1116 1 1734 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1258 1 1400 1 1 1 1 1 1 1 1 1 1 1 457.2335 *457.2825* 457.2825@1.0390388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.2825 *457.2989* 457.2989@1.0450203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1912 1935 1 1 1 1 1 1 1 1 457.2989 *457.3038* 457.3038@5.9481134 1 1 1606 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3038 *457.3091* 457.3091@4.840071 1 1 12782 11743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4942 3654 1 1 1 1 4486 4733 1 1 1 1 1 1 1 1 1 1 1 1 4837 4178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6094 5861 4058 4499 1 1 1 1 2954 3048 1 1 1 1 1 1 1 1 1 1 1 1 457.3091 *457.3096* 457.3096@4.7723947 1 1 2996 2793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3096 *457.3128* 457.3128@2.0524988 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 1 2366 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 1 457.3128 *457.3154* 457.3154@3.1202805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2508 1 1 4291 1 1 1 4344 1 1 1 1 1 1 1 1 1 1 1 3733 2255 1 1 1 1 1 1 1688 1 1 457.3154 *457.3158* 457.3158@3.1866539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3158 *457.3161* C24 H39 N7 O2 1 1 44933 43910 6871 4236 4194 5519 5273 5950 1 3747 9667 7058 8216 7434 5649 6146 7558 2016 5273 5560 4746 1 17750 14769 7063 3985 6692 7117 30346 34082 7686 3263 3123 5186 5283 5444 4386 6311 11691 10175 2407 4342 25650 27079 5122 6149 5053 6104 1 1 8260 6278 6394 5149 1 1 4624 5158 3900 4003 12570 5170 9272 8235 5485 1191 35218 37657 10523 19754 5401 5240 2838 3281 12881 1 1593 2141 2462 3263 6608 6975 1 1 2943 1964 4572 1 457.3161 *457.3161* 457.3161@2.0615995 1 1 1 1 1 1 1 1 1 1 1 1 1 3286 1 1 1 1 1 1 1 1 1 1 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 1 457.3161 *457.3177* 457.3177@3.32864 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 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 2420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3177 *457.3179* C24 H39 N7 O2 + 3.410876 1 1 26755 27431 5235 3430 1 1 1 2542 1 1 3845 1 4867 3465 3659 1 2818 3568 1629 2205 2930 1 10275 8370 1 1 2917 5316 1 1 4110 2814 1 1516 1 2107 1 1653 4749 4610 1 1 11078 15879 1843 1979 2659 1 2574 1 3921 1 2978 2422 1 1 1 2154 6276 1 5332 5240 5729 5442 2759 3079 16296 16155 1 10693 1 3355 1 1 1 10933 1 1 2477 1 5425 2347 1 1 2364 1 2311 1 457.3179 *457.3364* 457.3364@5.919646 1 1 1 1 1176 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3364 *457.34* 457.34@1.1443691 1 1 1 1 6200 1782 1 1282 2055 1 1 1 1 1 1 1 1 1 1 1023 1 1141 1 1 1952 1 1 1 1 1 3562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 1 1 1 1823 1 1 1 1 1110 1 1 1 1 1 1106 1389 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 2145 1 1 1 1 1869 1 1 1 1 1 1 1 457.34 *457.3407* C25 H47 N O6 22196 20507 4829 4428 42501 48181 41785 41237 34585 34949 18884 28094 42394 41166 44916 45817 39916 40647 60753 61495 36533 35574 31545 31424 89108 89607 38476 37736 53193 53443 222562 226818 43185 44420 23148 22211 17779 26198 32242 33012 65874 64965 29848 28591 153841 154882 31201 30656 64086 64055 41226 42049 47503 46667 27528 26217 7117 12103 36354 35056 58337 56917 94373 96625 49099 47319 28729 27968 1 208037 82238 82556 16597 23939 20910 19697 2245 111469 40307 40278 53427 55433 51083 54192 12412 12335 28161 28958 36671 39003 457.3407 *457.3422* 457.3422@1.137895 1 1 1 1 1 1 1 1 1 1 1 1 1 1093 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1679 1 1 1 1 1 1 1 1 1 1876 1 1 1 1 1664 1 1 1 1 1 1 1109 1352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.3422 *457.7825* 457.7825@5.8659177 1 1 23807 23912 1 6055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16516 16190 1 1 1 1 1 1 1 1 1 1 1 1 17952 18100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3644 1 1 1 1 1 1 18550 20384 14506 1028 1 1 1 1 1 11114 1 1 1 1 1 1 1 1 1 1 1 1 457.7825 *457.8157* 457.8157@3.2947319 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 1 1 1 1 1 1 1 1 1 1 457.8157 *457.8174* C10 H9 Cl3 O4 S5 1 1 17109 18757 4134 3672 1 2225 2042 1383 1 1 3941 4325 4234 3416 2945 2695 2848 2433 1 1 1 1 7963 3975 1 1896 3036 2330 13998 15942 3188 3480 1 1 1 1 1305 2763 4991 4944 1 1 10596 12360 2774 3317 3027 3019 1 3445 4040 4098 1 3508 1 1 2400 2299 1 1183 5445 4744 4001 4015 1 1 16325 16853 9013 2143 1 1 1 1 8411 1 1017 1 1 1 3271 3083 1 1 1 1 1 1 457.8174 *457.8175* 457.8175@3.397755 1 1 10897 11119 2710 1775 1 1 1 1 1 1 1919 2073 1 1217 1 1 1 1297 1 1 1 1 6045 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2643 2854 1 1 6976 5823 1 1 1 1886 1 1 1928 1829 1 1 1 1 1 1096 1 2107 2626 1 2282 1 1 1 9097 8218 4360 2016 1 1 1 1 4145 4782 1 1 1 1 1713 1 1 1 1 1 1 1 457.8175 *457.9434* 457.9434@5.4899373 1102 1 1 1 1 1119 1 1067 1231 1 1 1052 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 1 1 1 1 1072 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.9434 *457.946* C12 H10 O15 S2 1 1 1011 1 1110 1 1 1 1 1159 1110 1 1195 1 1192 1105 1 1 1 1 1014 1213 1067 1054 1 1 1 1301 1 1 1179 1034 1 1089 1106 1 1 1046 1076 1168 1257 1 1 1 1 1048 1 1 1128 1378 2093 1915 1591 1626 1410 1443 1198 1477 1206 1330 2249 1780 1401 1288 1531 1526 1633 1610 1 1114 2536 2520 1167 1205 1294 1443 2168 2261 2422 1951 2591 2306 2153 2259 2617 2345 2259 2120 1644 1548 457.946 *457.9779* 457.9779@4.843592 1 1 3293 3436 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 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 457.9779 *458.1346* 458.1346@2.8958728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 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 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 5281 5062 1 1 1 1 1 1 1427 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.1346 *458.2728* 458.2728@4.1473207 1 1 4340 4980 1 2317 1 1 1 1 1 1 4034 2610 1 1 19096 20021 1 1 1 1 1 1 1 1 3199 1581 1 1 3648 2189 1 1 1 1 1 1 1 1 1 1 1 2502 3663 3816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1 1 1 1 1 1 1 3989 3914 2982 1 1 1 1 1 1 3099 7349 7647 1 1 1 1 1 1 1 1 1 1 458.2728 *458.2847* 458.2847@4.8958664 1 1 1 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 458.2847 *458.2888* 458.2888@1.0315703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.2888 *458.3067* 458.3067@0.7251652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 458.3067 *458.32* 458.32@3.3817477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.32 *458.3209* 458.3209@3.277017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 458.3209 *458.3446* 458.3446@1.1931465 1 1 1 1 1 1 1 1 1 1 11882 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16522 16192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 458.3446 *458.3582* 458.3582@1.0411217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 458.3582 *458.3772* 458.3772@1.0428675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5904 6442 1 1 5137 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 1 458.3772 *459.2347* 459.2347@6.941013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1698 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.2347 *459.2646* C27 H41 N O S2 4419 4864 3260 5343 4357 3578 4642 4884 4507 3662 3169 3676 4478 3673 5819 4643 5410 5956 5923 6230 7031 7570 5229 2618 3862 3213 6147 5727 5853 6519 7407 6272 6534 5504 5817 5586 7939 6786 6764 7774 5479 6414 7201 6830 5183 6766 9110 9506 6940 8919 8066 8750 7855 8371 7308 7490 9961 9525 7530 8557 8820 9659 10718 10773 11503 11855 8802 11524 13265 11644 10720 10161 10974 10906 11534 11358 13479 13085 12151 11878 10834 11864 8989 8097 11799 12616 9269 9935 11826 11180 459.2646 *459.2676* 459.2676@2.3954883 1 1 4850 4918 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4244 4042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3140 3225 1 1 1 1 1 1 3445 3342 1 1 1 1 1 1 1 1 1 1 1 1 459.2676 *459.2676* 459.2676@1.0798852 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2768 1432 1 1 1265 1 1 1 1047 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1200 1 1 1 1 1 1 1 1 1393 1 1 1 2317 1 1 1 1 1 1 1 459.2676 *459.2817* 459.2817@1.1954309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2582 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 1 1 459.2817 *459.2859* 459.2859@0.93952525 1 1 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 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.2859 *459.3021* 459.3021@2.0521402 1 1691 1 1 1 1 1 1 1334 1620 1 1 1570 1 1715 1590 1 1 1515 1345 1248 1 1386 1 1 1291 1 1596 1 1039 1 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1392 1 1 1 1 2033 1572 1 1 1 1 1 1 1 1 2030 1591 1 1 1 1 1 1564 1 1 1 1 1 1 1609 1 1823 1 1 1 1 1 1 1 1 1 459.3021 *459.3393* 459.3393@1.1974999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.3393 *459.3472* 459.3472@1.1987052 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5471 1 1 1 1 1 1 1 459.3472 *460.1058* 460.1058@2.0570557 1 1 1629 1 1 1 1 1 1 2422 1 1 1966 1855 2012 2138 1743 1770 2064 1732 1640 1 1616 1631 1 1 2174 2144 1433 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1466 1 1 1800 1 1 1 1640 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.1058 *460.1131* 460.1131@2.0786371 1674 1 1 1 1 1 1 1 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1984 2496 1 1 1903 2261 1 1 2472 1653 2026 1 1 1 1 1 1 1532 1 1 2181 2017 1 1 1 1 1 1 1 1 460.1131 *460.1216* 460.1216@2.4430103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1061 1 1 1390 1 1 1 1 1 1 1 460.1216 *460.2357* 460.2357@1.2015196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1549 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.2357 *460.2683* 460.2683@1.1277992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 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 1548 1 1 1 1 1 1 460.2683 *460.2927* 460.2927@1.1983756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2584 1 1 1 1 1 1 4647 2462 460.2927 *460.3058* 460.3058@1.1134223 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 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 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3058 *460.3135* 460.3135@1.0678617 1 1 1 1 1 1 2490 1385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3135 *460.3409* 460.3409@1.2073072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 460.3409 *460.3517* 460.3517@1.190193 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460.3517 *461.0832* C19 H19 N5 O5 S2 9217 8167 7571 7839 3926 3302 5304 5128 8833 8933 6653 6678 9182 9027 10435 10461 1 8099 7955 8421 7927 8309 8514 8429 7374 8089 8514 8955 7669 7285 6883 6308 1668 1 5749 5239 7096 6793 7611 7693 5750 5912 3297 3170 7219 6956 5705 5704 8248 7834 1 7971 7334 6895 8103 8453 5709 5981 6682 6890 7665 7346 4803 4587 7011 7298 5562 5489 7632 7148 6624 6910 4074 3760 5283 5046 7314 7621 4701 4837 8007 7831 5005 4875 5978 5679 7106 7518 5798 5547 461.0832 *461.1183* C20 H15 N9 O5 1 1 1 1 1 1 1621 1653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1117 1708 1983 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1897 2018 1 1 1 1 1 1 1 1 1762 1764 1 1 1157 1 1 1 1 1 1889 1835 1 1 1 1 1629 1896 2887 3187 2370 2276 2092 2004 1910 1864 1782 1 2690 2281 461.1183 *461.1189* C19 H19 N5 O9 1 1 1 1 1 1 1795 1703 1 1 1 1 1 1564 1 1 1 1 1 1 1 1 2178 2056 1 1 1 2173 1883 1766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 3009 3199 2910 1 1 1 1 1 1 1 1 1 1930 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2092 2463 2963 3105 2405 2973 3144 2501 1961 1264 1 2773 3141 2279 461.1189 *461.282* 461.282@3.406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 461.282 *461.2827* 461.2827@3.325991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 2320 1 1 1 1 1 1 1 1 1 1 461.2827 *461.284* 461.284@4.459159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2424 1 1 1 1 1 1 1 1 1 1 461.284 *461.2851* 461.2851@3.239523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1568 1 1 1 1 1 1 1 1 1 1 461.2851 *461.3485* 461.3485@1.0137084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3478 1 1 1 1 1 1 1 1 1 1 1602 2396 1 1 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 1752 6003 4430 1 1 1 1 1 1 461.3485 *461.8575* C17 Cl2 N2 O6 S2 1 1 1230 1 1 1 1 1 1 1017 1 1063 1178 1 1 1 1 1 1 1 1114 1 1066 1 1 1 1 1051 1 1009 1 1 1 1291 1299 1 1072 1 1107 1339 1097 1504 1 1 1117 1 1084 1233 1 1 1306 1376 1253 1177 1181 1 1 1083 1 1178 1087 1490 1 1283 1428 1265 1 1051 1234 1 1477 1697 1 1 1 1387 1454 1645 1229 1618 1725 1555 1629 1402 1656 1387 1855 1446 1216 1 461.8575 *462.0786* cefamandole nafate 23775 22375 20155 20295 8606 9722 13448 13077 23598 24283 17242 17892 23827 23724 26425 27433 21669 20530 20916 21279 19777 19847 22832 22381 20334 19589 22536 23510 19808 18577 18230 17081 4251 4220 13879 12687 19026 18627 18888 20753 15729 14782 8557 8777 17630 18030 1 14395 20733 20114 19263 19620 18382 17986 22135 22337 15241 14882 17436 17992 19472 19636 12377 11018 17514 17664 14202 13870 19520 19038 17727 17788 9844 10089 13112 12490 18420 19781 12493 12261 18924 20246 13220 12104 14495 14197 17868 18394 15370 14985 462.0786 *462.1576* C16 H30 O15 12640 13199 15770 17315 17696 17763 29618 27851 22761 23063 22966 23444 45517 44810 27112 26917 25393 24406 30097 30514 17730 17843 17762 18386 41767 42431 26336 24801 36426 35653 56330 53803 14805 14669 20794 20339 17744 17614 4457 4502 29929 30676 22630 22003 39219 39494 28834 27657 12050 11728 28942 27982 32792 31800 32824 33571 17194 16269 32723 33108 65869 65196 22834 22784 62604 62962 22751 22849 27550 26876 14339 14058 25141 24970 22314 22068 26320 26780 9203 9999 20598 20940 27774 27218 4707 4025 29208 29046 41243 40953 462.1576 *462.2154* 462.2154@1.0365356 1 1 1 1 1 1 1 1 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 1293 1 1 1 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.2154 *462.2221* 462.2221@1.0301591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.2221 *462.2897* 462.2897@1.171359 1 1 1 1 1 2454 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 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 1807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3655 1 1 1 1 1 1 1 2659 462.2897 *462.2984* 462.2984@1.1869977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.2984 *462.3055* 462.3055@1.1698848 1 1 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3219 3335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1845 1 1 1 1 1 1 1 462.3055 *462.3193* 462.3193@1.1333976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1370 1 1 1 1063 1 2836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.3193 *462.3252* 462.3252@1.0687052 1 1 1 1 2404 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.3252 *462.3314* 462.3314@1.0931245 1 1 1 1 1 1 2049 1901 1 1 1370 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 4103 1599 1 1 1 1 1561 2939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1785 1 1 1 1250 1 1 462.3314 *462.3362* 462.3362@3.5625322 1 1 1 1 1 1 1 1 1 1 1831 2838 1 1 1 1413 1 1 1 1 2550 2101 1 1 1 1 2596 1452 4114 4771 1 1 1 1 1 1 1 1 1 1 1 1 3082 8262 1 1 1 1 1 1 1 1 1 1 2360 3066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.3362 *462.3363* 462.3363@3.522316 1 1 1 1 1 1 1 1 1 1 3750 3434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.3363 *462.3431* 462.3431@1.2091324 1 1 1 1 1 1 1 1 1 1 1649 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 2112 1 1 1 1 1 1 1 1 1 1 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 1 462.3431 *462.8386* 462.8386@3.5425348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.8386 *463.1058* 463.1058@1.544901 1 1 1 1 1 1 1 1 1586 1 1732 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1779 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 1557 2944 1 1 1 1 1 1 1 1 1 2728 1 1 1 1 1 1 1 1 1731 1 2638 1 4545 4101 3419 1775 1 1 463.1058 *463.1951* 463.1951@1.0300018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.1951 *463.2216* 463.2216@1.2055376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.2216 *463.2244* 463.2244@3.7746167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 463.2244 *463.2802* 463.2802@1.4495776 1 1 2720 2459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.2802 *463.2947* C27 H37 N5 O2 1 1 9030 9633 2251 1747 1 1311 1 1058 1677 1877 1989 2110 1 1 1 1 1676 1400 1 1 1 1 5275 4660 1117 1 1 1 5360 5175 1 1 1 1 2342 2548 1 1064 1 1071 2563 2824 6069 5632 1425 1465 1 1207 1 1 1821 1418 1 1 1193 1362 1 1 1 1420 1201 1 1602 1834 1 1 6785 6621 4070 3959 1 1 1 1 2885 3433 1410 1374 1 1 1 1 1 1 1 1 1 1 463.2947 *463.3045* 463.3045@1.1966401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2881 1 1 1 1 1 1 1 1 463.3045 *463.3402* 463.3402@1.0628271 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.3402 *463.3501* 463.3501@1.2040197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 2132 1 1 1 1 1 1 1 1 1 1 1 1 2027 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14355 15121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4550 3899 1 1 1 1 1 1 1 1 1 1 463.3501 *463.4201* 463.4201@1.1308616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 463.4201 *463.9627* 463.9627@6.9734983 1 1 2569 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1314 1440 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1297 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1663 1784 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.9627 *464.093* 464.093@5.6456337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2068 2315 1 1 464.093 *464.1626* 464.1626@3.285172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2984 1 1 3043 3101 464.1626 *464.1742* 464.1742@1.1877697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.1742 *464.1865* 464.1865@1.1840792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 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 1 1 1 7029 7760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.1865 *464.2139* 464.2139@1.2005728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.2139 *464.2416* 464.2416@0.93927515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 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 1667 1550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.2416 *464.2957* 464.2957@1.12501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 464.2957 *464.3015* 11alpha-(chloromethyl)-1alpha,25-dihydroxyvitamin D3 / 11alpha-(chloromethyl)-1alpha,25-dihydroxycho 1 2745 2779 2859 3900 1 3643 4199 3348 4791 2615 3533 5831 5769 1221 4279 2694 3976 3934 3539 2617 3500 5399 3362 1 2612 3292 2806 3957 4138 1250 2632 2519 2742 3635 3796 2388 1597 2780 2269 3451 2100 2845 2939 3102 2632 3262 3076 2696 3515 2573 3127 2744 2402 2996 3105 2428 2577 3535 2567 1 1 3963 3851 2614 3002 2690 2318 1 1835 2963 3799 3547 3358 3213 3522 2267 2982 1038 4596 2627 2714 3125 2283 2550 2555 2414 2593 2967 2775 464.3015 *464.3079* 464.3079@1.0384653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 464.3079 *464.3217* 464.3217@1.0202484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 464.3217 *464.3371* 464.3371@1.0962118 1 1 1 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 2609 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 1 1 3337 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.3371 *464.3422* 464.3422@1.0700558 1 1 1 1 1 1 1 1 1 1750 2188 1579 1 1 1 1 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 1 4539 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 1 1 464.3422 *464.3456* 464.3456@1.1033614 1 1 1 1 8014 1 3174 3135 1 1 1 1 1 1 1 1 1 1 1 1 2402 1 1 1014 1 1 1 2351 1 1 1 1 1 1 1 1 1506 2035 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 4886 8919 1 1 2795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 464.3456 *464.3694* 464.3694@1.2028952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 464.3694 *465.1679* 465.1679@3.9193058 4728 4735 1 1 1 7296 1 6451 1 1 1 1 1 6649 1 1 1 1 1 5377 1 7221 7460 6978 6883 1 1 1 1 1 1 7933 1 1 1 1 1 6358 4495 1 1 1 1 1 1 7415 1 6489 5923 6147 1 1 1 1 1 7896 1 5558 1 1 1 1 1 10898 1 1 1 1 1 1 6094 1 4915 5001 5450 5497 6576 6104 5665 5216 5569 5310 1 1 4227 4799 6327 1 1 5446 465.1679 *465.1733* 465.1733@1.0695937 1 1 1 1 2682 1 1 1829 1 1 1 1323 1 1 1 2271 1 1 1 1825 1 1 1 1 1 1 1 1 1 2055 1 1 1 1 1 1 1 2240 1 1 1 1 1862 1 1736 2047 1 1 1 1 1 1655 1 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 1097 1208 1 1 1 1068 1 1709 1 1 465.1733 *465.1787* 465.1787@1.0675695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1394 1 1 1 1 1 1 1 2132 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 1 1 1 1 1 1 1 1 1 1 465.1787 *465.2945* 465.2945@1.0500273 1 1 1 1 1 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 1 465.2945 *465.3516* 465.3516@1.2057656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 465.3516 *465.3976* 465.3976@1.1953496 1 1 1 1 1 1 1 1 2050 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 2742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2093 1 1 1 1 1 1 1 465.3976 *465.4014* 465.4014@1.1965497 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 465.4014 *465.5287* 465.5287@2.7560525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 465.5287 *465.9229* C9 H16 Cl2 O11 S3 1 1 1 1037 1 1 1228 1012 1987 1 1119 1141 1133 1348 1 1 1378 1398 1162 1175 1 1044 1892 1709 1 1 1367 1258 1 1 1659 1467 1137 1183 1657 1526 2229 2048 2452 2579 1 1 1630 1655 1132 1129 1341 1700 1 1 1163 1341 1289 1523 1193 1344 1 1 1263 1678 2442 2740 1848 1886 1 1107 1 1 1908 2054 2356 2263 1219 1245 1539 1348 2172 2486 3064 3122 2246 2214 1627 1753 2969 3385 1 1 2943 3137 465.9229 *466.1513* 466.1513@3.654326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.1513 *466.2366* 466.2366@1.1860713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 466.2366 *466.2933* 466.2933@1.2016466 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2933 *466.2942* 466.2942@5.7332287 1 1 3811 3077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1242 1 1 1 1 1 1755 1 1 1 1 1655 2021 1 1 1 1 1244 1 43312 1405 1 1287 1 1 1 1 1 1 1083 1 1 1345 1 1 1 1 1 1 1 1 1 1 2209 1871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.2942 *466.2951* C23 H46 O7 S 6675 6368 53979 55571 18869 19120 13273 12758 14403 14291 11505 11186 21713 21289 5175 5485 8461 8368 14065 13750 6896 7849 5424 5730 31977 31653 7860 8865 8126 8656 40975 40576 5687 5682 7786 7633 17049 17206 10133 10194 12096 12785 19059 20714 1358 43987 17215 18324 11689 12204 6630 7073 18705 17813 8600 8884 10230 9591 8378 8965 14857 14799 12997 12885 16914 16663 4598 3803 47941 47875 34761 33645 6624 6589 6257 5476 29482 29404 17690 17192 5415 5915 5266 5457 8373 9210 7595 7190 4489 4839 466.2951 *466.3311* 466.3311@1.0031786 1 1 1 1 1 1 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 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 1 466.3311 *466.3397* 466.3397@1.0668265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4169 5445 1 1 2370 1032 1 1 1 1 1 1 2666 2702 1 1 1 1 1 1 1 1 1 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 1 1 466.3397 *466.363* 466.363@1.0660545 1930 1863 1261 1 1898 1485 9685 4672 3685 3649 1827 4902 1 1 1 1 1 1 1 1 1 1 1 1 1 1220 6675 2180 1 1 1 1 1 1 1 1 2951 1 1 1 1 1 1 1 1 1 1 2626 1 1 1 1 2246 2436 1 1 1 1 3208 5085 1188 1 1 1 1 2522 1 1 1 2942 1 2704 1 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 466.363 *466.7737* 466.7737@4.5295014 1 1 1 1255 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 2011 1610 1 1 1 1 4808 4205 1 1 1 1 1 1 1 1 1 1 1 1 1553 2062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2234 1798 1 1 1 1 1 1 5726 5450 1502 1491 1 1 1 1 1116 1308 1 1 1 1 1 1 1 1 1 1 1 1 466.7737 *466.7954* 466.7954@5.6965547 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.7954 *466.7969* 466.7969@5.8746486 2038 2526 22709 22973 7357 8014 5016 5239 5155 6236 4915 4476 8585 8715 2366 2133 2978 3028 5594 5339 3086 2832 1925 2071 12461 13968 3294 3060 3687 2957 16937 16715 1716 1821 3466 3161 6959 6866 4677 4421 4600 4452 7627 8160 17074 18906 7505 7008 4070 5248 2547 2493 7052 6996 3284 3318 3916 4316 3080 3223 5654 6269 5138 4968 6292 6512 1787 1958 20126 20752 13725 14198 2205 2439 2175 2150 11673 12441 6784 6373 2180 2003 2082 2374 3676 3196 2875 2434 1714 1645 466.7969 *467.2749* 467.2749@4.5170755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2107 1746 1 1 1 1 1 1 1 1 1 1 1 1 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 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.2749 *467.3475* 467.3475@1.015843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 467.3475 *467.3493* 467.3493@1.0220675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.3493 *467.3725* 467.3725@1.1050199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 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 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.3725 *467.3732* 467.3732@1.0585854 1 1 1 1 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 467.3732 *467.3809* 467.3809@1.0566038 2400 1 1 1 1 1 1 1 1102 1 1 1130 1 1 1 1 1 1 1026 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 1 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 1 467.3809 *467.3812* C28 H53 N O2 S 2758 1 5320 5337 1257 1 1 1 6573 6596 8953 9519 1 1334 1885 1 1 1 3998 5774 1747 2033 7674 6848 1 1 11619 11855 14451 10879 2744 2499 1180 1 1459 1265 1 1 1 1 1983 2839 8439 8978 6458 6415 1 1 1 1 1 1 1408 1459 1542 1549 1 1601 10103 9942 1 1 1 1 3220 2218 5001 4058 1722 1543 1 1 1 1 1 1 1 1 1 1 5575 5761 1 7136 1 1780 1 2299 2529 2795 467.3812 *468.1821* 468.1821@1.1767224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2173 1 1 1 1 1 1 1 1 1 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 2335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.1821 *468.2318* 468.2318@1.1713772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.2318 *468.2461* 468.2461@1.178236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.2461 *468.2551* 468.2551@1.1923478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 468.2551 *468.3088* 468.3088@1.1966228 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 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 1 468.3088 *468.3365* 468.3365@1.2025551 1 1 1 1 1 1 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 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.3365 *468.3424* 468.3424@1.2061052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1393 1 1 468.3424 *468.3494* 468.3494@1.2056763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.3494 *468.368* 468.368@1.1223197 1 1 1 1 1 1 1 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 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2124 1 1 1 1 1 1 1 1 1 1 1 1 2917 2303 1 1 1 1 1 1 1 1 468.368 *468.3758* 468.3758@1.0644802 4713 3599 3949 2002 11319 7295 11137 8138 5111 7394 2791 2489 1 1 3808 1871 2402 1 1849 3527 5371 5431 1 1 1 1303 10284 11164 3544 3554 3661 1872 1567 1 1 1 1356 1303 1343 2174 3052 1056 1008 2538 1781 2540 1703 3611 1 1 1 1 3118 4652 1397 1216 1 1 2578 7474 4288 4033 1198 1221 10690 11944 1 1 9008 7910 3725 1968 2714 1 1 1 1 1230 3020 1963 1 1 6400 6046 1 1 4836 4900 2658 2457 468.3758 *468.3796* 468.3796@1.2093079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4111 1 1 1 1 1 1 468.3796 *468.7738* 468.7738@5.8653097 1 1 2822 2268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1279 1 1 1 1 1697 1614 1 1 1 1 1 1 1 1 1 1 1 1 2026 1773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 2446 1590 1560 1 1 1 1 1116 1357 1 1 1 1 1 1 1 1 1 1 1 1 468.7738 *468.8091* 468.8091@6.04255 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 468.8091 *469.1906* 469.1906@1.93 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 469.1906 *469.2735* 469.2735@5.872271 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 1 1 1 1 1 469.2735 *469.3428* 469.3428@1.19401 1 1 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3428 *469.3498* 469.3498@3.6432908 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 2948 2601 1496 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 1 1 1 1 1 1 469.3498 *469.397* 469.397@1.0644821 1889 1766 1315 1213 1 1999 1 2021 2029 1 2063 1622 1 1 1 1 1300 1 1 1614 2154 1491 1 1 1 1 1 1 1620 1249 1495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1119 1 1 1 1 1562 1 1268 1 1 1 1 1 1 1 2453 3182 1 1 1 1 1 1 1 1432 1548 1592 1 1 1919 1993 1 1 1715 1 1 1 469.397 *469.4089* 469.4089@2.8300986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2443 1 1901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.4089 *469.4092* 469.4092@1.0624156 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 2960 3856 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 1 1 1 1 1 1 1 1 1 1 1 1222 1 1 1 1557 1 1 1 1 1 1 1 1 1 469.4092 *469.4113* C28 H55 N O4 1 5072 1747 4726 1 1 1 1 2617 4156 4061 1 1 1 3139 4125 1 1630 2368 1 1 3081 1 1 1 1 1 1 1 1 1 2286 3282 1 1511 1 5098 2872 1 1 1568 1 1 2732 1 1 1 1 1 2637 1 1 3818 1 1 1 1 1 1 1 1 4774 4141 3000 1 1 1 1 3843 3903 4668 1 4535 1 3862 1712 1 5093 3389 1135 2513 4208 1361 4370 1 4339 1 3834 1 1 469.4113 *469.4131* 469.4131@2.0522883 2548 1 2056 1 1 1 1 1 1 2025 1 1 1 4171 1 1838 2101 1 1 1 1 1 1 1 1153 1 1 1 3242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 2368 1 1 1 2808 1 1 1 1 2025 1 1 1 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.4131 *470.0589* 470.0589@1.681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 470.0589 *470.1117* C13 H26 O18 4048 3645 5625 5811 3476 3095 4304 4253 3403 3554 6078 5629 4499 4126 4451 4598 5451 5328 4063 4292 3699 4371 2570 2746 4699 4081 4384 4111 4303 4211 5370 5212 5008 4362 4011 3970 2559 2655 3539 3483 4750 4931 3630 3838 3032 2690 3369 3988 3115 3234 5520 5002 5339 5420 4737 4760 4834 4498 3000 2799 6796 6822 5822 5807 9502 9074 4023 3813 5652 6071 5603 5754 6238 6530 6048 5743 6283 6219 3855 4343 5365 5374 7044 7039 5325 4477 10711 11441 5287 4721 470.1117 *470.1247* C26 H14 N8 O2 5631 5666 5186 4828 5058 6840 5483 5467 6262 6342 6155 6793 3297 3668 3360 3692 4820 4835 3985 3374 2822 3062 3097 3476 4932 5216 4404 3941 3414 3531 3949 3923 4128 4890 5778 6328 6176 6716 4127 4007 5175 5639 6249 5462 3693 2989 4479 4601 3293 2542 1 1 2334 2578 3364 2836 4504 4645 3984 3742 1 1 4204 3825 1840 2178 1 2332 6862 6964 1 1 5848 5934 3197 3424 1 1 1 1 1 1 1 1 1 1 1 1 2565 2557 470.1247 *470.1758* 470.1758@3.9802854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2552 1 1 1 1 1 1 1 1 1 1 470.1758 *470.3455* 470.3455@1.2073573 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 470.3455 *470.3713* 470.3713@1.2118036 1 2613 1 1 1 1 1 4674 4411 5331 2591 2194 1 1 1 3060 1 1 1 1 1 3702 1273 1 1 1 1028 1 1653 4168 1 1 1 3836 5112 1 1778 2454 1 1 1 1 1 1 2474 1881 4033 1 1 1 1 1 1 1 1 1 1 1 1 4382 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 1 470.3713 *471.0729* 471.0729@1.6117636 1 1 1 1502 1 1 1 1 1139 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 2189 1763 1 1 1 1290 1 1 1 1 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 1 1 1 1 1 1 1202 1967 2475 2765 2186 2115 1688 1753 1 3705 1 1 2057 2493 2370 3437 4959 1 3291 3147 1322 1 471.0729 *471.1073* 471.1073@0.8420465 1 1 1 1 1 1 5676 5613 1 1 1 1 5027 5558 1 1 14261 13603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26094 27155 1 1 1 1 1 1 1 1 8246 8121 1 1 1 1 1 1 1 1 1 1 18011 18973 471.1073 *471.2815* 471.2815@1.210026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5294 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 1 1 1 471.2815 *471.3184* 471.3184@2.9811578 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.3184 *471.3196* 471.3196@2.9069126 1 1 6074 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 2776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4316 3558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.3196 *471.3233* 471.3233@1.2057204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1012 1 1 1 1 1 1 1 1 1 1 471.3233 *471.334* 471.334@1.0173717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 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 1113 1 2942 1 1 1 1 1 1 1 471.334 *471.345* 471.345@1.1798625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 471.345 *471.3531* 471.3531@1.1774211 1 1 17856 15158 2457 1 1955 1 1095 1 1 1 1 1476 1 1952 1 1 2539 1 1 1 1183 1 4085 4296 1185 1522 1980 1 12274 11995 1 1 1 1 1 1 1 1 1 1 1 1262 9446 9717 1 1 2116 1 1 1 1 1 1 1463 1 1 1 1 4427 2196 1 5442 1683 1 1 1 10512 11405 1 1 1 1 1 1 6335 6788 1 1158 2434 1938 1 1 1 1 1 1438 1567 1443 471.3531 *471.9837* 471.9837@4.9365726 1 1 26465 22098 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7156 6192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5847 6362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10580 9617 8130 7635 1 1 1 1 4865 5704 1 1 1 1 1 1 1 1 1 1 1 1 471.9837 *471.9866* 471.9866@4.88598 1 1 1 3802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7736 8184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 471.9866 *472.0788* 472.0788@1.768547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2357 1 1 1 1 1 1 1 1 1 1 472.0788 *472.0836* 472.0836@5.451406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1076 1205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.0836 *472.1234* Clofazimine 1 1 1501 1285 1 1 1479 1 1 1122 1 1 1521 1 1 1 1 1259 3399 3641 1 1 1 1 1237 1 1308 1374 1 1 2066 2408 1 1 1 1 1 1 1433 1532 1 1 1 1 1 1 1354 1282 1 1 1 1256 1 1 1 1 1709 1559 1 1 1528 1477 1373 1476 1606 1960 2509 2270 1864 1915 1497 1529 1 1 1 1 1807 2057 6637 6176 2489 2561 2111 2224 2044 1919 1845 1775 2906 2710 C06915 472.1234 *472.1521* 472.1521@1.9384897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1316 1 1 1 1 1 1 1 1 1 1 472.1521 *472.1894* 472.1894@6.152082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.1894 *472.2396* 472.2396@1.2106304 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2396 *472.2521* 472.2521@6.2402678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8161 8644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.2521 *472.2585* 472.2585@1.1074415 1 10376 1 1 1 8200 1 1 8214 1 1 1 10707 11176 1754 12823 1 1 1 1 1 1 1 1 1 1 1 1 1 13817 1 1 1 16821 10025 1 1 1 9860 5280 1 10166 1 12502 1 1 1 1 1 11977 1 1 1 5029 1 1 1 1 13015 1 1 8449 1 1 1 1 1 1 1 1 4296 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 472.2585 *472.2631* C32 H32 N4 10290 1 9288 9562 9215 4554 10752 10948 2993 11180 8862 8841 1 1 11791 1 12371 11998 13814 13561 16299 13804 8196 10767 14113 14082 11820 11979 12744 1 12533 12712 16060 1 1 11972 11542 9200 3139 8265 14604 4877 13246 1 8091 6032 10780 11045 13709 1 12329 13679 10998 7976 11228 10975 9303 10687 1 12094 8485 1651 5223 6839 8551 8906 7616 5295 8692 8440 2998 1 6369 6380 5470 4490 7775 5336 8478 7299 6395 7500 4798 5339 1 6722 5694 5724 5903 8108 472.2631 *472.3067* 472.3067@1.081438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 472.3067 *472.3126* C23 H45 Cl N6 S 10938 13551 10642 6118 8064 6390 9072 12351 10014 7759 19317 18286 5522 7566 6777 7018 18511 17267 11714 9539 9239 9966 12333 12314 8602 8887 15046 16538 9470 11834 9574 12706 18149 17677 11616 10920 17862 18364 17803 14030 12045 20973 10221 15422 15287 12450 14764 15509 14246 15392 25388 25637 28107 31091 37639 34138 28680 28014 23998 28834 17622 15506 22813 23738 25084 18897 35724 36815 26306 25447 41137 40887 23379 22705 20234 23792 28561 29091 31058 26020 47907 48027 57092 4167 26195 27257 30380 24707 21430 19832 472.3126 *472.314* 472.314@1.0202484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52931 1 1 1 1 1 1 472.314 *472.318* 472.318@4.867448 1 1 1 2475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.318 *472.3201* 472.3201@3.5924456 1 1 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 472.3201 *472.3208* 472.3208@4.9300795 1 1 18538 17301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5304 6082 1 1 1 1 5639 6493 1 1 1 1 1 1 1 1 1 1 1 1 4938 4909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7159 6624 5626 5604 1 1 1 1 3844 3439 1 1 1 1 1 1 1 1 1 1 1 1 472.3208 *473.1213* 473.1213@2.0731373 1944 2377 3348 3447 1116 1 2339 2618 3187 3057 2584 2211 3374 3164 1585 1515 2278 2111 7590 13949 1794 1777 1655 1808 2203 7561 2711 3046 1 1 8893 9087 1 1 1988 1801 2019 6240 8744 3411 2635 2289 1352 1 1581 1635 2780 2689 1496 1793 2582 2510 2756 3473 1858 1614 7685 3248 2234 2431 3721 3757 4189 5714 4597 4673 11255 11300 4530 4651 3896 3430 1560 1679 2267 2205 4177 4329 19731 20357 14237 14454 8115 6287 9416 9884 4051 3699 10139 11040 473.1213 *473.148* 473.148@1.9409885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2590 1 1 1 1 1 1 1 1 1 1 473.148 *473.2628* 473.2628@1.0815078 1 1 1 1 3969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1490 3530 1 1 1 1 1 1 1 1 1 1 1 1180 1187 1 3415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 1 1 1 1 1 1 1 1 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.2628 *473.2628* 473.2628@1.1119548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.2628 *473.2837* 473.2837@4.483 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 473.2837 *473.2843* 473.2843@2.6017504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10266 10437 1 1 1 1 1 1 1 1 1 1 473.2843 *473.2859* 473.2859@7.0528593 1 1 1698 2247 1240 1422 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1791 2044 1 1 1 1 1077 1359 1 1 1 1 1 1081 1 1 1 1 1441 1561 1 1 1662 1489 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1118 1 1 1 1 1 2740 2648 1408 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.2859 *473.3252* 473.3252@1.2044868 1 1 1 1 2333 3820 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 1955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 2189 1 1 1 1 1 1 2529 1151 2239 1 1 1 1 1 1 1 1 1 1 473.3252 *473.3394* 473.3394@1.2038496 1 1 5282 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2927 1 1 1 1 2569 1 1 1 1 1 1 3368 1 1 1 1 1 1 1 1 1 3298 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 1 1 1 1 1778 1 1 1 1 1685 1 1 1 1 1 1 1 1 1 1 1 1 1 473.3394 *473.3722* C30 H51 N O S 1 1 1 2668 1 1 1573 1677 1 1 7221 6935 1 1 1 1 1 1 1 1 1 1 1945 2182 2207 2419 3981 4334 1823 1 1 1 1 1 1828 1967 5049 4706 1550 1268 3688 3636 1 1 6571 6047 1 1 1 1 1 1 1592 1679 4864 4128 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1268 1 1 1 1 1 1 1 2560 2263 4976 5555 1 1 2065 1844 1 1 473.3722 *473.7869* 473.7869@7.046641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 473.7869 *474.1316* C28 H18 N4 O4 2241 2306 2112 2200 1427 1 1947 1692 2989 2687 2279 2356 2558 3049 2723 2511 1814 2141 3737 1 1605 1425 1949 2049 2019 1 2847 2774 1553 1509 1 1 1 1 1504 1499 1777 1 1 2582 2156 2216 1 1 1742 1612 2371 2512 2023 2208 2500 2724 2719 2871 2325 2087 1 2347 1 1 3572 3487 1 1 4157 4051 1 1 4177 3995 3734 3782 1 1089 1699 1746 3453 3617 1 1 1 1 1 1 1 1 3271 2887 1 1 474.1316 *474.1445* 474.1445@1.9429879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2957 2712 1 1 1 1 1 1 1 1 1 1 474.1445 *474.2985* 474.2985@1.0517918 1 1 1 4672 3807 5882 1 1 1 1 1 1 3310 1 3883 1 1 1 1 2020 7690 8590 1 1 1 1 1 1 7634 6164 1 6937 1 1 1723 2245 1 1 1 3576 7751 6591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2878 1 6015 5256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3419 1 1 1 1 1 1 1 3686 1 1 474.2985 *474.3025* 474.3025@3.7599683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 2265 1 1 1 1 1 1 1 1 1 1 1 1 2208 1376 1960 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 2562 1631 1 1615 1 1 2280 1 1 1 1 1 1 1 1 1 2025 1952 1 1 1 1 2181 1 1 1 474.3025 *474.3052* 474.3052@1.0413336 1 1 1 1 1 1 5231 1 1 1 5145 3322 1 1 1 2036 1 1494 1 1 1 1 1 1 3231 1 1 1 1 1 4331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6385 1 1 1 1 1 1 5554 1 1 1 1 1 1 1 1 6611 1 1 1 9169 1 1 4946 6795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3131 1 1 474.3052 *474.3078* 474.3078@1.0039873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3078 *474.3187* 474.3187@4.555012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5918 1 474.3187 *474.3354* 474.3354@1.206674 1 1 1 1 1 1 1 1 1 1 1360 1406 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 2930 1 1 1 1 1 1 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 1 474.3354 *474.3551* 474.3551@1.1531891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3551 *474.3577* 474.3577@3.3566499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21415 21313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 474.3577 *475.1328* C32 H17 N3 O2 3561 3618 2519 2610 1 1 1500 1406 3215 3721 2323 2729 3523 3249 4718 4110 2164 2444 3405 1 2410 2470 3469 2946 2697 1 3976 3890 2135 2215 1 1 1 1 1 1437 2260 1 1 2610 1662 1792 1 1 2324 2228 1917 1962 3486 2850 4765 3143 2788 3146 3852 4378 1 1962 2075 2189 5054 5036 1448 1 3776 3639 1 1 3572 3270 5122 5183 1 1 1500 1 5002 4242 1 1 1 1 1 2191 1 1 4130 3951 1 1 475.1328 *475.2996* Netilmicin 30628 29891 188426 190528 108580 107974 80110 80962 77426 77448 67298 69157 182264 184630 29379 29155 694310 695517 73133 74488 24580 24633 28047 28395 96784 102627 146651 144830 93668 95047 149222 150846 8532 8312 45564 44390 72516 73763 51937 54620 56832 56671 118572 120781 162593 162827 73773 75278 49583 50642 14022 13627 74791 73697 33648 31792 43829 42867 48106 46366 122421 124815 59046 58054 81600 84904 8838 9550 162720 167429 132134 133484 42452 41183 31969 31004 126534 126630 301447 298556 37591 36066 21128 20270 54922 54669 33147 35900 34024 32348 475.2996 *475.3004* 475.3004@3.8124633 1 1 6510 7122 1 1 1 1 1 1 4446 4160 1728 2160 1 1 1 1 1 1 1 1 1 1 3901 3254 1 1 1 2177 6268 5927 1 1 1 1 2620 2595 1 1 1 1 4766 5715 3639 3037 4001 2898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3400 1 1 2685 1 1 7346 7820 2862 5044 1 1 1 1 3393 1 3868 1 1 1 1 1 1 1 1 1 1 1 475.3004 *475.3008* 475.3008@4.202766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3008 *475.3071* 475.3071@1.0489091 1 1 1748 2945 1 1 1 1 1 1 1 1 1 1 2593 1 1 1 1 2711 1 1 1 1 1256 1 1 2977 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1 4523 1 1 1 1 5664 1 1 4335 1 1869 1 1 1 1911 1 1 1 1181 1 1 1 1 1 3073 1 1 3160 4134 6571 1 1 1 10313 3386 3292 1 1 1 1 475.3071 *475.3119* 475.3119@1.0577596 2025 1 1 2003 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 2821 1 1 1 1 1 1 1 1 1 1 2205 1 1 1 1 1 1 1 1 1 1 1 1897 1 1 1 1 1 1 1 4769 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1 1986 3919 3021 2474 2637 1 1 1 1 1 1 1 1 1 1 1 1 3820 3325 1 1 475.3119 *475.3348* 475.3348@1.0117118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1734 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 1773 1 2178 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 475.3348 *475.3431* 475.3431@1.0033995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3431 *475.3803* 475.3803@1.0066043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 475.3803 *475.4783* 475.4783@4.1634946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.4783 *475.5578* 475.5578@4.150705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.5578 *475.8002* 475.8002@4.1429186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.8002 *475.9767* 475.9767@4.1439176 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.9767 *476.1311* C15 H28 N2 O13 S 9077 8913 9195 9262 8268 8504 8979 9402 10317 10290 8688 8862 8744 9224 10282 9579 8174 8176 9579 9572 8276 8802 8389 8719 8625 8031 8408 8138 7318 7107 8998 9061 10092 10122 8945 8475 7556 7672 9364 9080 8995 8743 9540 8891 8612 8626 7573 7929 6418 6743 9174 9835 8989 9484 10904 10411 9620 10013 7619 7866 13742 13318 10546 10419 11606 11913 12548 12055 9012 8923 12901 12338 9392 9637 11123 10821 11856 12429 12372 12074 12184 12534 11285 11508 12216 12686 12467 12263 12320 12401 476.1311 *476.2144* 476.2144@1.1515298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2144 *476.2199* 476.2199@1.1562669 1149 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 2349 1 1 1 1 1 1 1624 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2199 *476.2575* 476.2575@1.8342409 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2575 *476.2579* 476.2579@1.9160839 1 1 1 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 1 2096 1 1 1 1 10649 6104 1 1 1 1 1 1 1 1 1 1 1 1 2973 2947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11853 12436 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2579 *476.2586* C28 H44 S3 1 1 4410 4410 1 1 2830 2488 1 1 3980 3567 2226 2577 1 1 1 1 5227 6368 1 1 1 1917 9833 9149 1 1 1 1 22105 21479 1 1 1864 1280 1 1 5123 5679 2961 2794 4888 5127 10059 10586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12554 13156 2309 1 3666 3637 1 1 24314 26344 7346 6995 1 1 1 1 5888 6591 1 1 1 1 1 1 1 1 1 1 1 1 476.2586 *476.2923* 476.2923@1.0483165 1 1 1 1 1 1 1 1 1 1 1 1 3054 3918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.2923 *476.3034* 476.3034@4.20567 1 1819 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.3034 *476.3093* 476.3093@1.0534558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 476.3093 *476.3221* 476.3221@1.0520456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.3221 *476.3445* 476.3445@1.1783943 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 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 1301 1524 1 1076 1 1 1 1 1 1 1 1 476.3445 *476.3491* 476.3491@1.2063075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1004 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 476.3491 *476.3577* C28 H54 Cl2 O 1 1 3425 3775 1714 1614 1736 2400 1680 2689 4878 1 2410 2569 1164 2539 2065 1073 1568 3077 1 1 3112 3230 2433 1 3469 2202 2059 2746 1759 1 2339 1355 3390 1 1 7303 1 1679 3134 3561 1 1 1 1 2287 2645 1 1 1211 2551 1670 1736 2623 2144 1 1 1299 1636 1 1 1454 1399 1097 1 1154 1 1410 1 1 1543 3002 3228 1 1 1 1286 1 1 1 1 4372 3681 1 1 1905 1546 1 1 476.3577 *477.0777* 477.0777@2.0588956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1930 1 1 1 1 1 1 1 1 1 1 1 477.0777 *477.0958* 477.0958@1.9454869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3291 1 1 1 1 1 1 1 1 1 1 477.0958 *477.199* 477.199@6.792707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2708 2357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.199 *477.2159* 477.2159@1.1170484 1 1 1 1 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 1328 2576 2903 1 1066 1295 1445 1 1 1692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1843 1 1 1 1 1 1 3241 3350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.2159 *477.9686* 477.9686@7.0760317 1 1 9222 9614 2002 1 1 1231 1 1 1858 1959 1921 1979 1 1 1 1 1362 1317 1 1332 1 1 4981 5208 1 1 1 1300 5094 4923 1 1 1 1 2563 2586 1144 1 1 1 2834 2682 5576 6385 1482 1880 1 1 1 1 2038 1750 1 1 1221 1382 1 1 1 1 1400 1 1392 1681 1 1 6920 6525 4109 4211 1 1 1 1 3666 3489 1453 1312 1 1 1 1 1121 1003 1 1 1 1 477.9686 *478.073* 478.073@2.053247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5359 4451 1 1 1381 1 1 1 1 1 1 1491 478.073 *478.0907* 478.0907@1.9459865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5641 5401 1 1 1 1 1 1 1 1 1 1 478.0907 *478.1367* 478.1367@1.0303155 1 1 1 1 1 1 3073 2687 1 1 1 1 6177 6525 5172 1 1 2957 5227 3999 1 3983 1 1 1 3708 1 1 4207 4274 6797 6422 1 1 1 1 1 1 1 1 1 1 4853 4853 1 1 2532 1 1 1 1 1 1 1 1 1 1 1 1 2580 1 7166 2715 1 5988 1 1 1 4320 4268 1 1 1 1 1 1 4435 1 1 1 1 1 1 1 1 1 3523 2920 1 2010 478.1367 *478.2324* 478.2324@1.1840734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 478.2324 *478.3057* 478.3057@7.076307 1 1 6655 6578 1268 1 1 1 1 1 1451 1361 1550 1509 1 1 1 1 1106 1133 1 1 1 1 3638 3517 1 1 1 1 3578 3663 1 1 1 1 1392 1864 1 1 1 1 1919 1 4196 4167 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1148 1136 1 1 4613 4477 3072 3164 1 1 1 1 2590 2592 1 1 1 1 1 1 1 1 1 1 1 1 478.3057 *478.3078* 478.3078@1.0374049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4141 1 1 1 1 1 1 1 1 1 2020 2022 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 1246 1814 1478 10494 10663 1 1 1 1 1 1 478.3078 *478.3088* 478.3088@1.0356048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 1 1 1 1 1 1 1 1 1 1 2556 1858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 1608 1 1 1 1 1 1 1 1 1 1 1 478.3088 *478.3334* 478.3334@1.2089908 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.3334 *478.3404* 478.3404@1.2015022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 478.3404 *479.1832* 479.1832@1.1357299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11183 11011 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.1832 *479.1911* 479.1911@1.2055664 1 1 1 1 1 1 1 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 1336 1 1 1 1 1 1 1 1 1 1 1463 1046 1 1 1 1009 1 1290 1 1 1280 1 1 1 1 1362 1339 4979 4123 1 1 3878 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.1911 *479.3* 479.3@1.0713035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 479.3 *479.3101* 479.3101@1.0737956 1 1 1 1 1 1 1 1 1 1 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 1527 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3101 *479.3149* 479.3149@2.0952106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3149 *479.3171* 479.3171@1.0690739 1 1 1 1 2029 1311 1 1 1 1 1 1 1 1 1 1 1 1493 1 1 1 1 1744 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1437 1 1 1 1 1 1 1 1 1 1578 1 1 1 1 1 1 1 1 1 1366 1049 1 1 1 1 1 1 1 1 1 1 1186 1076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3171 *479.3205* 479.3205@6.123311 1 1 2603 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3205 *479.3278* 479.3278@3.1825511 1 1 5000 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 4154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3278 *479.3281* 479.3281@3.2678704 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3281 *479.3284* C18 H45 N11 S2 1 1919 41420 43660 8273 8287 4328 4445 3956 3589 2314 1 10293 8628 5686 7512 6222 6292 6702 6801 5536 4815 2942 2805 18809 19071 5539 4567 4618 7162 37080 32395 4918 5707 3481 3018 2965 3079 4691 4188 8253 8264 3307 3347 24481 21384 3968 3849 5613 3765 5408 6980 7218 6645 5979 4230 2591 1 4103 4941 9120 9301 9557 9501 5654 7914 4861 3590 25268 36719 24114 21287 3594 3753 4779 1 25086 21162 5831 4797 3441 4747 7678 5704 1 1 2571 1616 2437 2696 479.3284 *479.3284* 479.3284@3.5460644 1 1 2677 73497 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 47106 1 1 1 1 1 1 1 1 1 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 56759 1 1 1 1 1 1 1 1 1 4715 1 1 1 1 1 1 1 1 2291 1314 1203 479.3284 *479.3288* C17 H41 N11 O5 1 4458 75492 6095 14926 15096 7784 8491 7295 6965 5411 6175 15495 17221 13302 13379 10686 8916 10430 13333 8694 8277 4134 6701 32627 33971 7557 7371 8380 8737 1453 46584 11030 9698 6849 7567 6479 6810 9115 8706 14768 14457 6695 9610 42268 44806 8973 9255 8983 8740 10299 13066 13822 13443 9197 9697 1 1 7406 7742 15787 16820 16035 17593 15467 13887 7299 8029 1490 56915 40643 44000 7681 6620 1 4307 38040 38319 5296 11268 9584 7400 11582 12209 1 1 6354 5165 6772 5765 479.3288 *479.3302* 479.3302@1.2095807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3302 *479.3563* 479.3563@1.2057506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.3563 *479.5647* 479.5647@6.120289 1 1 2305 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.5647 *479.7928* 479.7928@5.979704 1 1 1430 20314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12686 1 1 1 1 1 1 1 1 1 1 1 1 1 13821 1 5260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14840 14188 1 1 1 1 1 1 8306 1 1 1 1 1 1 1 1 1 1 1 1 1 479.7928 *479.8201* 479.8201@6.1199 1 1 1 1397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.8201 *479.8277* 479.8277@3.1511786 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.8277 *479.8296* C11 H7 Cl3 N2 O5 S4 1 2712 34852 36149 7177 7658 3779 4489 4140 4266 1 3041 6671 7127 6337 5629 4483 5743 5963 1 3743 3652 2383 1950 15757 16024 4968 4476 5606 5293 24846 21890 5279 5356 3270 2105 1 3604 4493 1 6376 8219 1 4336 20162 19287 4268 4391 4556 4727 6021 5617 7564 7009 5160 4440 1 1 3854 4127 7002 8270 8817 8548 6651 6336 4183 3061 27905 29420 18770 16398 3584 3382 1 2351 20242 17385 5934 5812 4060 1506 6668 6373 1 1 2703 3420 4107 3394 479.8296 *479.8297* C10 H3 Cl3 N2 O10 S2 1 1 22123 21308 5339 3718 2563 3000 2247 1 3313 2671 4642 5084 3217 4451 3915 2437 3975 1 3277 2570 1 1 6966 8248 2989 1680 1866 3058 17176 15840 3548 3748 2039 1 1 2767 2992 6344 4113 3064 3218 2245 10589 12708 1 1 2395 2598 2492 3202 2733 3117 3722 2604 1 1 2279 1811 5569 4028 4116 4718 2001 4184 1747 1 17908 17316 10757 11204 2425 2548 2391 1 10854 11794 3455 3023 2111 1 3110 3268 1 1 1876 1962 1594 1 479.8297 *479.8306* 479.8306@3.617682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 479.8306 *480.1804* 480.1804@1.192331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1109 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.1804 *480.1904* 480.1904@1.1905622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 480.1904 *480.2546* 480.2546@4.1428504 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 1393 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 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2546 *480.2974* 480.2974@5.0164804 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2974 *480.3175* 480.3175@1.0508864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4131 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.3175 *480.3221* 480.3221@1.0549468 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 1 1 1 1734 1 1 1 1 1 1 1 480.3221 *480.3253* EB 1213 1 1 2322 2268 5578 5714 1024 1 5291 5599 4673 4965 3834 3052 5681 5456 4808 5060 3280 2587 6772 6010 19898 22566 5920 5702 4647 5110 8332 9734 32065 31752 20014 20604 5564 6212 7943 8168 16674 18106 18815 17137 11546 12379 8582 9969 9816 9809 3152 4459 17112 15505 24431 25134 5922 8215 10254 10100 4447 4862 21090 19389 19940 19290 29262 26963 9830 9456 10663 11699 7196 8102 8208 7723 2512 3077 4147 4292 5701 5860 14519 13295 15193 22818 3495 3595 14968 14723 7645 7572 480.3253 *480.3301* 480.3301@3.569064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1803 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 1 480.3301 *480.333* 480.333@1.0841074 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.333 *480.348* 480.348@1.2058121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.348 *480.9851* 480.9851@5.012604 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.9851 *481.2009* 481.2009@1.1831467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5756 5143 1 1 3295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.2009 *481.2228* 481.2228@1.0814676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.2228 *481.3194* 481.3194@5.023586 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.3194 *481.3325* 481.3325@1.066133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 481.3325 *481.3831* 481.3831@1.2084359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.3831 *481.3951* C32 H51 N O2 4718 1 12455 12880 1405 1351 1 1272 4505 4190 9558 9273 1080 2350 3217 3290 1 1 1336 1354 2496 2661 4352 5017 6912 6032 13885 1 19712 11431 2593 2626 1183 1 1301 2022 3103 2744 1472 1200 1 1 10333 10414 4801 4779 1 1 1 1 1 1 3563 3369 1518 1 1388 1469 17066 17771 2732 2210 1222 1084 1007 1 3274 2311 4012 4601 3462 1 1 1 1 1 1071 2044 1179 1022 1 6594 11166 11152 1 1 2180 1531 1115 1276 481.3951 *481.3988* 481.3988@1.2061967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 5457 1 1 1 1 1 1 1 1 1 481.3988 *482.1789* 482.1789@3.437679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2142 2106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1253 1 1 1 1 1093 1457 1083 1245 1 1 1 1 1050 1 1 1 1 1 482.1789 *482.2015* 482.2015@1.3190496 1 1 1 1 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 3658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.2015 *482.3336* 482.3336@1.0369395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 482.3336 *482.3406* 482.3406@1.0174783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6843 1 1 1 1 1 1 1 482.3406 *482.3553* 482.3553@1.0763808 1 1 1 1 1484 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3553 *482.3716* 482.3716@1.2127113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 482.3716 *482.3807* 482.3807@1.204209 1 1 1 1 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 1885 1136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1472 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 482.3807 *483.3442* 483.3442@1.0192482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1 1 483.3442 *483.3707* 483.3707@1.2051196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 483.3707 *483.3777* 483.3777@1.130775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7454 7184 3004 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 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.3777 *484.0364* 484.0364@2.0766532 1 1 1286 1 1 1 1 1 1 1032 1 1 1 1269 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1531 1 1 1 1 1254 1 1 1 1 1052 1182 1 1 1240 1 1 1 1 1 1567 1329 1 1 1 1 1236 1 1 1 484.0364 *484.1418* 484.1418@2.0859394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2233 2011 1 1 1 1 1 1 1 1 1 1 484.1418 *484.2449* 484.2449@1.185973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2286 2383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5750 6002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.2449 *484.2662* 484.2662@1.0679936 1 1 1 1 1 1 1 1 1 1 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 1236 1 1 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.2662 *484.2763* 484.2763@1.0699407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 1 1 1 1 1 1 1 1 1 1 1837 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 1 1 1 1 1 1 1 1 1 1 1 484.2763 *484.2874* 484.2874@1.0731232 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 484.2874 *484.3056* 484.3056@1.066288 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 484.3056 *484.3398* 484.3398@1.2030656 1 1 12122 11138 1 1 1 1 1 1 1 1 2257 1 1 1 2522 1 1 1763 1 1 1 1 3407 2172 1 1 1 1 7729 8039 1 1 1 1 1 31572 1 1 1 1 1 1 1 1838 1 1 1 1626 1 1 1318 1730 1 1 1 1 1 1 3400 4905 1772 2506 1 1 1 1 6218 7068 2763 2655 1 1 1 1 6282 5667 1 1 1 1 1 1 1 1 1 1 1 1 484.3398 *484.3483* 484.3483@3.792131 1 1 1 1 1 1 1 1 1 1 6283 5579 1 1 1 1 1 1 1 1 3814 3671 1 1 1 1 3605 2314 4000 3394 1 1 1 1 1 1 1 1 1 1 1 1 3247 7598 1814 1264 1 1 1 1 1 1 1 1 1038 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 2429 1 1 1 1 1 1 1 1 1 484.3483 *484.3494* 484.3494@3.7642107 1 1 1 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 1 1 6238 1 1 1 1 1 1 1 1 1 1 1 1096 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 1 484.3494 *484.3496* 484.3496@1.2005166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 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 1946 1 1 1 1 1 1 484.3496 *484.3505* 484.3505@6.947529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 484.3505 *484.3518* 484.3518@5.7094655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11104 1 1 1 1 1 1 1 1 1 1 1 1 1683 1 1 1 1 1 1 1 1 1 484.3518 *484.8501* 484.8501@3.778106 1 1 1 1 1 1 1 1 1 1 2729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3267 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 1 1 1 1 1 1 1 1 1 1 1 1 484.8501 *485.0306* 485.0306@2.0743403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2977 2318 1 1 2364 2191 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 1 1 1 1 1 2413 1 1 1 1 1 1 2253 1 2533 1 3054 1 2409 1 1 1 2813 2953 1 3460 2807 2944 2528 1 2291 2473 1 1 3392 3252 1955 1 3289 2890 1 3223 1616 1 2999 3159 1 2176 1 1 1 1 1 2270 485.0306 *485.032* C29 H11 N O5 S 3696 3840 2654 2689 1347 1394 1776 1713 3386 3163 2731 3025 1930 2400 3432 3297 1 1 2034 2216 1 1 2393 2234 3495 3084 2460 3045 1838 2019 2737 3097 1 1 2469 1 3403 2854 2404 2917 1861 1 1 1 2404 2742 2958 2220 1 2676 1 2395 1 3301 1 3249 2757 2615 1 1 3550 1 1 1 1 3022 1 1 2694 2391 1 1 1 1700 1 1 3817 1 1 1 1 1 1658 1 2389 3298 2867 2649 2581 1 485.032 *485.0877* 485.0877@1.5393392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1204 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 1650 1 1 485.0877 *485.1382* 485.1382@2.0834396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4098 3003 1 1 1 1 1 1 1 1 1 1 485.1382 *485.3345* 485.3345@1.0731357 1 1 6863 6934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1499 1286 1 1 1 1 4060 7634 1 1 1 1 1 1 1 1 1 1 1 1 5648 6430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4324 4645 1 1 1 1 1 1 5943 5483 1 1 1 1 1 1 1 1 1 1 1 1 485.3345 *485.3537* 485.3537@1.1999818 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9205 8105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 485.3537 *486.0855* C33 H14 N2 O S 1088 1170 1311 1430 1 1 1 1 1 1 1356 1550 1 1 1152 1202 1888 1373 1 1 1 1 1 1 1 1 1240 1086 1 1087 1452 1347 1127 1015 1239 1063 1 1 1061 1016 1239 1395 1037 1 1 1 1 1 1 1 1139 1347 1282 1358 1282 1117 1418 1 1 1 1794 1580 1590 1 2673 2378 1157 1 1354 1503 1383 1456 1513 1482 1619 1636 1654 1835 1358 1 1588 1219 1988 1669 1250 1517 4047 3409 1312 1140 486.0855 *486.1601* 486.1601@1.1835792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.1601 *486.1712* 486.1712@3.9538245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1344 1 1 1 1 486.1712 *486.3252* 486.3252@1.0524324 1 1 1 1 1 1 1 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 2382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4360 1 1 1 1 1 1 486.3252 *486.3274* 486.3274@1.0429105 1 1 1 1 1 4468 2394 7026 1 1 2819 1707 1 1 1 1 1 1 1 1 2161 5150 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1155 1 1 1 1 1 1 1233 1 1 1 1850 1473 4269 3584 3339 1 1 1 1613 1 1 2123 1 3678 1 1 1 2536 7196 3668 4998 1 1 1 1 1848 1 2334 3240 4458 3855 7337 1 2449 1 1 3509 2465 1 486.3274 *486.3342* 486.3342@3.5659695 1 1 1928 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 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 1 1 3092 1668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3342 *486.3351* 486.3351@3.4800394 1 1 4765 4462 1 1 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 1859 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 1863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3351 *486.3373* 486.3373@1.0766644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3373 *486.3389* 486.3389@1.0210965 1 1 1 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 1 1 1 1 1 1 1 1 1 9697 1 1 3215 2151 1 1 1 1 1 3249 1 1222 3361 3705 1434 2279 1 1 3369 1851 1 1 1 1259 1 1 1 1 1 1 1 3350 4273 1 1 1 486.3389 *486.3544* 486.3544@1.0064847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.3544 *486.3708* 486.3708@0.99970424 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 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 1 1 1 1 1 486.3708 *486.6617* 486.6617@5.0073786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15592 1 1 1 1 1 1 1 1 1 1 1 1 11348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18532 13840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.6617 *486.8358* 486.8358@3.4973412 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 486.8358 *486.9957* 486.9957@5.018621 1 1 32707 31767 1569 1331 1 1 1 1 1 1 1676 1 1 1 1 1 1 1 1 1 1 1 9572 11338 1 1 1 1 10090 11002 1 1 1 1 1 1 1 1 1 1 1 1 8047 8308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12573 13920 9642 9753 1 1 1 1 6376 6717 1 1 1 1 1 1 1 1 1 1 1 1 486.9957 *487.0144* C9 H20 Cl3 N9 O4 S2 1605 1724 1668 1403 1456 1507 1 1565 1601 1 1387 1307 1662 1574 1480 1 1452 1243 1703 1687 1427 1 1764 1999 1399 1510 1513 1298 1 1708 1852 1474 1 1728 1391 1434 1670 1 1756 1695 1350 1597 1687 1 1372 1509 1275 1457 1399 1290 2009 2218 1838 1642 2062 1941 1 2005 1 1302 2699 2417 1998 1729 2061 1899 2348 2186 1764 1615 2585 2783 1676 1789 2175 2107 2259 2399 2154 2271 2766 2385 2514 2172 2648 2547 2018 2085 2202 2216 487.0144 *487.3299* 487.3299@5.0154014 1 1 13529 14269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4873 5469 1 1 1 1 5061 5531 1 1 1 1 1 1 1 1 1 1 1 1 5403 5355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5816 7879 4542 4771 1 1 1 1 3012 3216 1 1 1 1 1 1 1 1 1 1 1 1 487.3299 *487.3352* 487.3352@1.0352529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 487.3352 *487.3505* C23 H49 N7 S2 1 1 17528 16440 5890 4008 5472 4879 2532 3515 3882 7578 1 4955 5204 4223 2875 2727 5842 1 2797 4233 4141 4716 6111 1 8507 5305 1 1 9365 10211 4070 5558 4514 5145 4028 6361 1976 2383 4699 6816 1 1 1 1 1 3606 1 1 1 1 4203 3249 1 4155 2947 1 9094 10086 2981 2285 4211 4889 2571 4268 2210 2514 9250 9028 4440 4517 2399 3351 1494 2861 5377 6602 4629 5019 4564 3243 12527 10940 1390 2208 3682 3269 2772 2756 487.3505 *488.1154* 488.1154@2.423124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4649 1647 3988 1 2039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3237 1 1 1 1 1 1 5262 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 2108 1 1 1 3738 1 1 1 1 1 1 488.1154 *488.1165* C26 H24 N4 S3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2279 2973 1 1 1 1 1448 1059 1 1 1498 1377 1 1 1 1 1542 1710 1 1 1 1 1 1 1 1 2660 3380 2587 2465 2054 2302 3786 3647 1884 2349 2372 2717 1355 1333 1908 1706 1541 1346 1487 1639 1 1 1 1 1 1 1627 1505 1049 1853 1 1 1 1 1 1 1 1 1412 1 4046 3398 488.1165 *488.1167* 488.1167@2.327217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 3272 1 1 1 5948 5210 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 2468 1 1 2576 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 1 1 1 1750 1 1 1 1 1 6883 5048 1 1 1 1 1 1 1 2297 1 1344 488.1167 *488.117* C26 H16 N8 O S 3811 2270 5321 4448 6716 6190 8959 9407 4886 5387 4288 4396 4734 4392 1 1 1 3556 1 1 8585 1 3972 1 6793 5276 1 10008 5433 5239 1 1 1 1 4574 4533 1 1 1 2444 3101 1488 3802 3942 1 1 4591 2255 1 4966 6504 9207 1 1 5505 5785 1 3685 3900 3780 5078 1804 1 1 6440 6692 7027 2527 2571 4200 5511 5352 5656 6731 3806 3673 7562 7632 6906 8290 7203 8016 10953 6537 6557 6407 9349 7165 9117 7851 488.117 *488.122* 488.122@1.0392648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34814 34528 1 1 1 1 1 1 1 1 1 1 488.122 *488.1312* 488.1312@2.9559824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 488.1312 *488.1377* 488.1377@2.9639015 1 1 1 1 1 1 1 1 1 1 1651 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1584 1 1 2823 2749 1 1 1 1 1848 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.1377 *488.3082* C13 H40 N14 O4 S 7394 7485 61220 62912 21193 19897 15254 14941 16171 14733 13627 13772 24032 25202 6963 7222 9042 10174 16233 15570 8602 8747 7286 7515 36738 36599 11041 9856 10884 9369 43888 44469 6526 6562 9733 9572 19094 19912 12529 12052 13660 13557 23206 22728 49456 47415 20477 20174 13800 13772 7825 7912 21454 21382 10620 10343 12736 12782 10643 9328 14383 14834 15355 14580 17937 18892 5498 6445 51319 53397 40384 38856 7759 7538 7630 7403 32071 32790 19036 18928 6472 7270 6829 6460 11110 11965 8072 8348 6077 6387 488.3082 *488.3108* 488.3108@5.761451 1 1 2674 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 1102 1100 1 1 1 1 1423 1529 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3108 *488.3109* 488.3109@1.028844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3109 *488.3131* 488.3131@5.0125523 1 1 3750 4486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1465 1260 1 1 1 1 1220 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 1 1 1 1 1 1 1 1367 1 1 1347 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3131 *488.3198* 488.3198@1.0185648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 488.3198 *488.3272* 488.3272@1.0511022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1192 1 1 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 1908 7693 1 1 1 1 1 1 1 2214 1229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8536 8686 1 1 1 1 1 1 488.3272 *488.3304* 488.3304@0.99848473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 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 1 488.3304 *488.3398* 488.3398@1.0681474 1 1 1252 3334 1 3073 1 1 1 1 3227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3906 1 1373 1 1 1 1 1 1 1 1480 1 1 1 1 1027 1 1 1 1616 1 1 1 1 1 1 1 1 1023 1 1 5991 1 1 1 1 1 2330 1 1 1 4701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1372 1 1 1 488.3398 *488.3429* 488.3429@1.2064004 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3429 *488.357* 488.357@1.2024748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.357 *488.7879* 488.7879@4.661755 1 1 1 1074 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1343 1385 1 1 1 1 3835 4743 1 1 1 1 1 1 1 1 1 1 1 1 1733 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 5380 5553 1084 1518 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 488.7879 *488.8091* 488.8091@5.763865 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.8091 *488.8099* C12 H5 Cl2 N O6 S5 3111 3190 28132 27203 9466 7984 6470 6680 6737 6426 5809 5436 11114 10831 2984 3170 3675 4074 5928 6232 3714 3959 2909 3171 16815 16948 4175 4135 4185 4098 20071 19583 2829 2804 4048 3725 8135 8492 4952 5025 5295 5100 9203 9832 22349 20806 8646 8179 5291 5084 3424 3479 8193 9016 3901 3855 4383 4714 4168 4138 5853 6340 6777 6386 7093 7476 2167 2329 23220 23639 16980 16380 3224 3135 3253 3048 14662 15248 8451 8306 2806 2712 2686 2376 4094 4411 3426 3446 2743 2172 488.8099 *488.9801* 488.9801@5.013605 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.9801 *489.1126* 489.1126@2.4235687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 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 1 489.1126 *489.1128* 489.1128@2.7878313 1 1 1 1 1 1 1 1 1 1 1 1 1601 1613 1 1295 1 1 1 1380 1 1292 1 1 1 1 1006 1 3346 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.1128 *489.113* C20 H19 N5 O10 1 3534 1 1 2337 7638 1 1 6188 1 3442 3783 1 1887 1 1374 1 1 1758 1 1 7045 1 1 1 5073 1 5765 5379 1 4588 4784 1 2377 1 4585 1 1 2916 1 1 1 1 2039 2030 1 3539 1 1 7976 1 1 2366 1 1 1 4120 1 1 5941 4065 1 1 1 5796 4913 1 8175 3568 2564 1 1 1 1 3808 1 1 1 11668 1 6042 1 9184 8071 1 1 1 1 1 10345 489.113 *489.1135* C21 H31 N O4 S4 3548 4996 11890 9783 13748 7804 22319 23037 5537 6919 5960 5718 10285 3936 5986 4533 10516 10601 3966 4792 20213 10681 12892 12157 16441 11558 25666 20066 6648 10884 8861 8566 4995 2500 9539 5344 4684 4625 4565 8072 9504 10409 8097 6161 1321 4598 6489 7389 11696 4143 22176 24154 6249 7239 5202 12823 4308 9608 9042 3254 12511 15327 4466 4753 8825 8836 10872 6033 6168 5927 11472 10954 14712 16555 4844 7851 18134 19263 13552 34184 9780 17397 17870 12503 15704 12370 24749 22228 6913 8086 489.1135 *489.1138* C22 H27 N5 S4 1009 2086 2026 1 1 1 1 1 1 1082 1 1 1645 1650 2843 1004 1 1 3119 1572 3637 1643 4617 6892 1 1 1486 2711 2203 2462 1 1 3348 3250 1 1 1 1 3065 4443 2879 3207 1 1 1 1 1 1 6043 7657 6415 5854 5510 6274 8894 9950 4062 5331 6129 7370 3048 2996 3315 4317 4281 4240 4432 4682 1 1 1 1254 1353 1 3642 3488 2593 2576 1626 1741 1773 1655 2348 3165 1296 1443 2504 2129 8970 9384 489.1138 *489.1258* 489.1258@2.091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 489.1258 *489.1703* C35 H23 N O2 1505 1515 1321 1139 1756 1891 2225 1761 1590 1554 1163 1344 1922 1866 2055 1897 1799 2465 1911 1854 1659 1549 1465 1345 1426 1889 1476 1361 2021 2217 1006 1 1308 1473 1101 1283 1589 1361 1994 1643 1420 1256 1492 1714 1566 1414 1540 1473 1599 1519 1305 1349 1605 1295 1136 1357 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1237 1 1 1380 1452 1445 1445 1305 1 1 1 1 1664 1200 1 1 1460 1514 1555 1937 489.1703 *489.2495* 489.2495@1.2013236 1 1 1 1 1190 1 1 1 1 1 1 1 1125 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 2508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 489.2495 *489.2784* C24 H44 Cl N3 O3 S 2350 2522 3639 3766 3754 4397 3453 3110 2924 3032 3907 3468 12965 14186 1870 2199 115809 114714 4953 4867 2471 2331 2067 2485 2979 3116 3767 4205 6826 7229 2506 2638 1415 2069 2298 2883 2757 2798 2326 2123 2161 1945 5483 6290 4861 5661 3980 4943 3937 3651 2490 2141 3544 2863 2874 3236 3634 4175 3149 3956 9302 9115 2642 2187 2641 2226 1439 1294 3526 3849 2602 3065 2628 2016 1758 1923 2360 2365 7809 8065 2023 1999 1656 1570 2290 2759 1704 1871 4176 3889 489.2784 *489.2916* 489.2916@4.6482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1702 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2048 2226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.2916 *489.3143* 489.3143@3.3821502 1 1 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 3581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.3143 *489.3323* 489.3323@1.1100484 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 2122 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 1772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.3323 *489.342* 489.342@1.0649383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.342 *489.3452* 489.3452@1.0585353 1 1 1 1 1 1 1 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6355 1 1 1 1878 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 2188 2736 1 1 1 1 1 1053 1 1 489.3452 *489.3644* 489.3644@1.1251938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 489.3644 *489.377* 489.377@1.189497 1356 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 7091 3759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.377 *489.877* 489.877@1.1869428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1167 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.877 *490.1158* 490.1158@2.376162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6622 1 3091 1 1 5041 1 1 1 1 4151 3576 490.1158 *490.2315* 490.2315@1.1712116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2315 *490.2347* 490.2347@1.1748933 1855 2049 1 1 1 1 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 1532 1567 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 5132 5439 1 1 1 1 1 1 3577 3595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2347 *490.2474* 490.2474@1.1596581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.2474 *490.325* 490.325@6.2051816 1 1 1810 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.325 *490.3325* 490.3325@3.3104694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528650 522715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2512 1 1 1 1 1 1 490.3325 *490.3343* 490.3343@1.2064396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 1 1 490.3343 *490.3431* 490.3431@1.2077419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3431 *490.3546* 490.3546@1.0642707 1 1 1 1 1 1 1 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 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 1304 1 1 1327 1 1 1718 1 1 1 1 1 1 1 1 1 1 490.3546 *490.3612* 490.3612@1.1216743 1 1 1 1 1 1 1 1 1 1 3594 3660 1 1 1 1 1 1 1 1 1 1 1 1 1696 1681 1 1 1 1 1 1 1 1678 1 1 1 1877 1 1 1 1 1254 1 1 1 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 490.3612 *490.3622* 490.3622@1.1197445 1 1 1 1 1 1 1 1 1 1 2390 1 1 1 1 1674 1 1 1431 1 1 1 1 1 1520 1 1 1 1 1 1 1 1 1 1 1 1861 1 1 1 1 1 1393 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 2289 1 1 1 1 1 1025 1 1 1 1 1619 2356 1 1 1 1 1 1 490.3622 *490.3652* 490.3652@3.9090781 1 1 1 1 1 1 1 1 2931 1 2162 1 1 1 1 1 1 1 1 1 1161 1 3178 1 1 1 1 1 1 1 1 1 6112 1 1 1 1 3340 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 1328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1 1 1 1062 490.3652 *490.3658* 490.3658@3.8184419 1 1 1 1 1 1 1 1 1406 1 2209 2313 1 1839 1 2029 1 1 1 1 2387 2324 1247 1 1498 1 1 1 1 1 1 1 2232 1 1 1 1 1078 1 1 1551 1 1 1 1756 2191 2086 2566 1 1278 1 1 1480 1 1 1 2122 1678 1871 1736 1 1 1 1 1 1290 1 1 1 2070 1 1980 1 1 1777 4398 1 1 1 1 1 2037 1 2728 1 2377 1 1 1 1769 490.3658 *490.3689* 490.3689@3.768482 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3689 *490.3753* 490.3753@1.2041162 1 1 1 1 1 1 1 1 1 1 1 3208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3475 1 1 1 1 1 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3753 *490.5722* 490.5722@6.2016563 1 1 2589 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.5722 *490.785* 490.785@5.9775786 1 1 1707 2055 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 1377 1146 1 1 1 1 1 1 1 1 1 1 1 1 1423 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1744 1792 1 1 1 1 1 1 1 1072 1 1 1 1 1 1 1 1 1 1 1 1 490.785 *490.827* 490.827@6.2016582 1 1 1264 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.827 *490.8676* 490.8676@3.855978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1301 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.8676 *490.8682* 490.8682@3.8336463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.8682 *491.3111* 491.3111@3.3244352 1 1 1 1 4111 1 3025 2735 1 2660 1673 1 1 1 1 1 1 1394 1 1 4365 4478 1 1397 1 2030 2754 1 1 1 1 1 1 1 2454 1989 2186 2476 1 1 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3923 2048 1 1 2832 2943 1 1 1 1 4597 3802 1534 1 2923 2995 3654 2855 2806 1 3013 1 3095 1 1 3899 2157 2405 4249 1 491.3111 *491.3184* 491.3184@3.3462477 1 1 1 1 1 1 1 1 1 1 1 2284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3184 *491.3208* 491.3208@3.3580637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3208 *491.3212* C32 H45 N O S 1644 1 3868 9687 3885 10051 3324 1 1 1 3359 1 3120 2654 1 2582 3199 2610 2886 2474 1 6427 3056 3289 1 1472 1 3229 7726 5086 5745 1 3938 3144 2386 2257 2476 2616 1584 1 6509 6667 2682 3719 2991 2438 2203 1965 2320 1987 5124 3932 4384 4531 5155 5227 1 1 5898 4512 3664 3477 4998 5050 4097 4212 3071 3233 4254 4526 3710 3529 2854 2485 2162 2162 3779 4651 6522 4801 12307 8615 10547 10887 3016 3505 4079 5838 2984 2947 491.3212 *491.3268* 491.3268@1.0548259 1 1226 1 1 1 1 1 3168 2382 1999 1 2959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3268 *491.3325* 491.3325@4.981581 1 1 1816 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 491.3325 *491.3658* 491.3658@3.8367653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1101 1 1 1 1 1 1 1 1 1 1 1 1 2395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3658 *491.3668* 491.3668@3.9687889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3668 *491.3931* 491.3931@1.423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 491.3931 *491.6658* 491.6658@4.9910765 1 1 1858 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.6658 *491.8575* 491.8575@3.8201215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.8575 *491.8587* 491.8587@3.8732371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 491.8587 *492.1057* C26 H20 O10 2477 2251 2507 2650 1956 1862 2483 2528 2613 2679 2252 1 2522 2314 2604 2513 2377 2533 2903 2932 2587 2630 2501 2567 2395 2190 2032 2437 2019 1736 2740 2712 2577 2787 2556 2108 2310 2205 2609 2817 2440 2749 2599 2758 2639 2403 2128 2256 1921 1921 2971 3013 2472 2394 2973 2855 2416 2997 2169 2293 3961 3781 2789 2877 3601 3644 3641 3607 2539 2596 3798 3885 2683 2897 3189 3306 3435 3845 3795 3755 3692 3581 3625 4134 4248 3785 3865 4147 3130 3134 492.1057 *492.1889* 492.1889@1.1877213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 492.1889 *492.2073* 492.2073@1.163212 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 1 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 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 1 492.2073 *492.2395* 492.2395@0.94027746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.2395 *492.3256* 492.3256@1.1254035 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.3256 *492.3329* C27 H48 N4 S2 4355 3245 5624 1 1 1 1 1 5071 5200 3882 6693 8245 8306 5582 5864 5049 5754 5006 4493 5357 1 5337 6385 1 1 1 1 2196 4235 4171 5469 4189 3462 2858 3733 3550 3296 3188 3279 3276 3204 6001 4213 4008 4536 3262 3412 3772 3321 4729 4898 7560 6818 1233 3240 1918 1 3871 4898 5917 5659 5281 6092 1 1 4712 4652 1 1 6100 4735 5759 6401 4704 5031 6192 7501 4731 7328 1 6179 4637 5115 1 1 5638 1447 3867 4173 492.3329 *492.3367* 492.3367@1.0849508 1 1 1 1 1 1 6363 5575 1 1 2457 1 1 1 1 1 1 1 1 1 1 2260 1 1 5959 5069 5641 5797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 1 1 1 1 3316 4868 1 1 6695 4364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.3367 *492.344* 492.344@1.0810678 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.344 *492.354* C19 H45 Cl N12 O 1583 1 5491 4747 2983 2998 3565 1 1 1 5805 6287 3545 2027 2900 1 2492 2826 1 4246 3473 1 4105 3844 3557 3036 3182 3874 2930 1 2267 1 3330 1 1 3963 6866 6931 2964 2784 5225 5464 3479 3379 8245 7997 1 2654 1953 1639 2679 2990 2403 2641 3942 3728 2057 1858 3482 1 2398 1829 3620 3053 2335 2796 2732 2967 2151 1704 2462 2203 3286 3310 2040 2278 2363 2145 2697 2978 2652 2089 4009 4181 2023 2108 3801 5048 2364 1969 492.354 *492.9794* 492.9794@7.1804414 1 1 6086 6124 1326 1136 1 1 1 1 1394 1437 1 1243 1 1 1 1 1 1 1 1 1 1 3564 3520 1 1 1 1 3252 3486 1 1 1 1 1798 1780 1 1 1 1 2363 2396 3717 3559 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 4731 4422 2920 3213 1 1 1 1 2312 2104 1 1 1 1 1 1 1 1 1 1 1 1 492.9794 *493.0722* C22 H24 Cl N3 O2 S3 3395 3076 3834 3511 3767 3683 5045 3971 3403 3578 3668 3835 5650 5297 3679 3768 4354 4203 5895 5141 4505 4711 4970 5112 4974 5335 5529 5754 8558 8380 3539 3238 2785 2737 3366 3625 2852 2615 3059 2657 3182 3295 3064 4478 4436 4147 4566 4161 5966 5419 2288 2223 2249 2711 3330 3272 3398 3143 3869 3426 1 1 2374 2138 1188 1391 1226 1519 3001 3221 1 1 3300 3696 1105 1404 1 1 1 1 1 1 1 1 1 1 1 1 2789 3205 493.0722 *493.3129* 493.3129@1.1115348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3129 *493.3145* 493.3145@7.1803956 1 1 2541 2841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1710 1 1 1 1 1 1615 1 1 1 1 1 1 1 1 1 1 1 1 1601 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1946 1 1059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3145 *493.3174* 493.3174@6.5455375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2755 1 1 1768 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3174 *493.3244* 493.3244@1.0332564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1570 1 2143 1778 1 1 1 1 1 1 493.3244 *493.349* 493.349@4.184251 1 1 1 1 1 1 1 1 1478 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 2381 1 1547 1 1 1 1 1 1 2068 1820 1 1 1 3246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.349 *493.5565* 493.5565@2.7373264 1192 1 1 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1142 1 1 1 1 1 1 1965 2024 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1886 1224 1694 1742 1878 1895 1954 1593 1420 1417 2020 1851 2368 2853 1772 1954 1 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1060 1 1174 1356 1035 1 1262 1 1 1 493.5565 *494.0677* 494.0677@2.8030655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.0677 *494.0686* C18 H18 N6 O7 S2 8438 8552 8866 9105 8712 9262 13252 13032 8698 8310 8864 8823 14335 14458 9436 9553 11172 10982 14518 13937 11690 11455 13488 12729 12733 12709 14289 14459 21330 20539 8535 8000 6864 6563 7819 8185 7169 7183 6843 6998 8102 8482 9288 10283 11161 10389 9608 11161 15259 14476 5326 4732 5584 6841 8954 8791 8617 8328 9610 9998 3052 3428 6080 5841 3257 3555 3677 3049 6940 7342 1 1 8103 7757 3555 3017 1875 1 1 1 1 1060 1 1782 1 1 1684 1883 7933 7690 494.0686 *494.1383* 494.1383@3.008979 1 1 2027 1943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2073 1618 1 1 1 1 1 1 1 1 1 1 1 1 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 2826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1383 *494.1498* 494.1498@1.0908961 1 1 1 1 1 1 1 1 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 1651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 494.1498 *494.1837* C22 H30 N4 O7 S 14325 13923 22250 21448 18658 17743 39896 39496 25085 25952 35907 35481 51351 33458 30581 29288 27763 22726 38884 39743 23332 23806 9462 19925 82482 84071 47676 48660 40388 42148 60000 57918 11407 7531 24105 23529 31483 30882 14065 14036 45357 45466 18937 18750 83594 82228 29532 27533 8348 7846 24916 24068 36605 35596 59642 60295 22663 22400 30387 30871 6065 100161 22111 22709 91711 92124 21151 32309 26102 27006 8241 8175 32656 31942 29987 30373 32142 32090 4702 5690 24514 24633 25348 39947 1879 2833 32339 32204 41861 41566 494.1837 *494.1844* 494.1844@1.1637813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 97823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.1844 *494.3071* 494.3071@1.0904322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 494.3071 *494.3073* 494.3073@1.0254734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 494.3073 *494.3341* 494.3341@3.8181021 1 1 3784 3242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3341 *494.3355* 494.3355@1.2076279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.3355 *494.3874* 494.3874@1.0718457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 494.3874 *495.1626* 495.1626@1.0318865 1 1 1558 1492 1 1 1 1 1984 1839 1 1 1 1 1 4161 2498 1 1 1 3302 1 1 1 3096 1 1 1 1 1 1 1 1290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1748 1636 1 1605 1737 2962 2441 1 1 1 1 2010 1 6006 1 1 2829 1 5001 1 1 1 1 1 1170 1315 1287 1410 1498 1 3357 1349 1 1 1 1 1 1 1 1 1 1940 1 495.1626 *495.2971* 495.2971@7.133786 1 1 1 1609 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1033 1 1 1 1 1494 1820 1 1 1 1 1346 1162 1 1 1 1 1 1 1 1 1 1 1800 1521 1516 1706 1304 1587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2106 2352 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.2971 *495.3309* 495.3309@6.516365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3637 1 1 1777 2241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 495.3309 *495.3853* 495.3853@1.2035074 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 2850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2038 1 1 5009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.3853 *495.4098* 495.4098@1.2049432 5901 1 2524 1769 1 1 1 1 3576 4288 1 1 1 1 1 1 1 1 5552 2965 1 1 1 1 1 1 2335 2068 4332 5335 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 2467 2790 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 4972 5052 1 1 1451 1417 1 1 495.4098 *495.4147* 495.4147@1.0492315 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.4147 *495.6608* 495.6608@5.1171875 1 1 1469 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.6608 *495.9926* 495.9926@5.12061 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 495.9926 *496.1943* 496.1943@1.1766127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 496.1943 *496.2097* 496.2097@1.2013193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 496.2097 *496.3009* 496.3009@1.0552591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 496.3009 *496.3099* 496.3099@1.0370613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1520 1 1 1 1 1 1 2002 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 2472 1 1 1 1 1 1 1 496.3099 *496.3237* 496.3237@1.0418215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.3237 *496.3307* 496.3307@1.0250126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.3307 *496.3477* 496.3477@1.4438318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 3557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2959 1741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.3477 *496.6642* 496.6642@5.1418147 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 496.6642 *497.0666* 497.0666@1.4411291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1505 1 1 1 1 497.0666 *497.1066* 497.1066@3.6347353 1 1 1 1 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.1066 *497.3514* 497.3514@1.2075566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 497.3514 *497.3757* 497.3757@1.202679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.3757 *497.3835* 497.3835@1.2077786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1485 2436 1 1 1 3282 1726 1 1 1 1 1 2458 3760 1 1 1 1 1 1 1 1 1 1 2209 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 1 497.3835 *497.3921* 497.3921@1.207454 1 1 1 1 1 1 6546 6803 1 1 1 1 6082 6670 1 1 1 1 1 1 1 2146 1 1 1 1 1 1 6094 1 1 1 1 1 1 1 1 1 1 1 3457 3770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5534 4545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.3921 *497.8934* 497.8934@5.8049493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 497.8934 *497.9033* C16 H2 O17 S 51180 51414 51767 51045 52072 51235 51631 50655 52358 52968 51881 52191 52201 51561 51082 51413 49124 49275 50732 51455 54166 53881 52616 52772 49997 50408 52480 51297 48730 47674 52074 51099 54719 55587 51584 50688 50106 51006 54659 54695 54866 54254 51076 50272 52515 52109 50662 50241 54131 53293 72022 72948 62101 64437 60308 60404 56071 56295 55294 54757 71135 70467 54825 55285 63503 64932 63362 64460 53375 52854 80854 80835 54987 52653 57880 58837 75106 76495 72424 73856 79679 76190 72724 74447 76769 77583 72669 73360 63346 62105 497.9033 *498.0654* 498.0654@1.4455684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2469 1 1 1 1 1 1 1 1 1 1652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6561 6681 1 1 1 1 498.0654 *498.1001* 498.1001@3.2831361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2467 1 1 1 1 1 1 1 1 1 1594 498.1001 *498.2344* 498.2344@1.0633693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 498.2344 *498.3331* 1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)c 1 1 1 1 1076 1432 1 1 1 1 1 1355 1 1 1633 1756 1 1323 1 1 1085 1346 2957 3535 1 1 1 1 1791 3288 4854 4956 2084 1739 1 1 1 1 2007 2721 3034 2251 2161 2415 1765 3092 1108 1973 1 1 2312 2589 4595 2566 2159 2215 1 1 1971 1605 5015 4658 2358 4322 4840 4553 1 1038 2158 1518 1 1 1 1 1 1 1 1 1 1 1089 1281 1860 3501 1 1 2818 2934 1508 1798 498.3331 *498.3547* 498.3547@1.2023746 1 1 1 26142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 498.3547 *498.3674* 498.3674@1.20381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 498.3674 *499.2692* 499.2692@1.1941934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.2692 *499.3533* 499.3533@1.2042621 1 1 5121 5179 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3654 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 1800 1 1 1 1 1 1 1 1 1 1 1 1 499.3533 *499.3679* 499.3679@1.1893996 1 1 2457 3785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2659 2388 1395 1 1 1 1 9218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1520 1 1 1 1 1 1004 2113 2577 1 1 1 1 1 1 1864 1 1 1 1 1 1562 1 2837 2186 1187 1 1 1 1 1 1 1 1 1 499.3679 *499.3848* 499.3848@1.1615996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.3848 *500.1244* 500.1244@2.0732946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 2760 1 1 1 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 1 500.1244 *500.1314* EPICATECHIN PENTAACETATE 1490 1569 1 1 1 1 1 1 1464 1479 1 1 2402 1942 2004 1732 1419 1638 1 1800 1 1 2110 2037 1459 1553 1959 2020 2009 1869 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1856 2230 2766 2648 1 1629 1 1 1 1 1 1 1 1380 1 1 1 1346 1 1360 1 1 1 1 1 1 1 1 1 1818 1 1 2521 2541 1243 1 1 1 2102 2074 1502 1713 500.1314 *500.3778* 500.3778@1.0471214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 500.3778 *500.3907* C32 H53 Cl N2 4043 2256 1441 1330 2208 2681 2967 3289 2025 3152 3885 4295 1316 1520 2156 1491 4896 4253 3594 2549 1959 2122 3349 2087 2410 2029 3003 2676 3893 2245 3867 2623 4545 6969 3903 4457 3170 4485 5058 4602 4188 4095 3375 2257 2954 4263 3341 4559 4636 3998 4359 5059 4990 5836 5568 6060 6137 5801 3691 2851 5080 5074 4746 6359 5216 7073 6305 8067 7032 8921 6983 6885 7014 5818 4377 4427 6899 6395 5715 5932 7374 5365 6991 7687 5373 5505 6885 6507 5187 5891 500.3907 *501.0265* 501.0265@2.367594 1 1 1 1 1 1 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 2544 3373 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 2901 1 1 1 1 1 1 1 501.0265 *501.1319* C33 H24 Cl N S 1738 2490 1 1647 1 1 1 1024 2075 1875 1 1 3813 3492 3247 2808 1761 1732 3306 2366 3770 3721 4586 4779 2628 1 3277 3246 3350 3136 1 1207 1 1 1 1 1 1 1 1272 1118 1 1 1 1289 1 1 1 3297 3084 3919 3467 2000 2282 3180 3173 1 1 1517 1709 1 2089 1 1 1520 1340 1740 1 1441 1619 1 1488 1 1 1 1 2421 1 2014 2212 3286 3816 1462 1 1771 1 3410 3000 2139 2206 501.1319 *501.294* 501.294@4.1626315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6834 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 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 501.294 *501.3353* 501.3353@6.285054 1 1 2570 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.3353 *501.3369* 501.3369@5.120164 1 1 72846 73160 4457 4168 1 1 1 1 1 1 3778 3540 1 1 1 1 1919 1 1 1 1 1 27533 27049 1 1 1 1 27142 27251 1 1 1 1 2151 2500 1 1 1 1 1860 1 21221 22813 1 1 1 1 1 1 2385 1 1 1 1 1 1 1 1 1 1859 1834 2357 2928 1 1 32565 30354 24994 25580 1 1 1 1 16207 18499 1 1 1 1 1 1 1 1 1 1 1 1 501.3369 *501.338* 501.338@5.0672846 1 1 5180 1656 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 1 1 1 1674 1751 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 2046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.338 *501.3418* 501.3418@3.8482857 1 1 51615 68168 1 1 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 1 1 1 1 31979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.3418 *501.3425* C18 H47 N9 O5 S 1 1 63214 45462 10472 13259 7657 11389 5660 4125 5558 5424 16180 11783 9258 12186 14797 7984 9155 9342 9870 10632 5760 4829 3069 28975 5688 8550 6728 11480 52801 41059 10160 7141 5024 5257 5755 1 4642 1 9889 10248 7125 8908 1506 39548 7172 6152 6784 7940 6213 7986 11431 9876 6961 6045 1 1 3341 5186 12186 10456 13839 13886 12879 12100 5103 5039 88898 61493 25519 36383 2270 3788 1 1 32989 36613 9702 7670 4750 4996 7748 7410 1 1 4143 1 4747 3885 501.3425 *501.3433* 501.3433@3.4951 1 1 4570 5156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2775 1854 2702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.3433 *501.3443* C26 H43 N7 O3 3762 3690 5293 4940 9534 8958 4376 1 1 1 2859 2964 9043 8253 1 1 1 6754 8023 1 1 1 1731 2742 17928 20228 5451 1 4510 1 26847 25633 1632 1 3036 2735 4626 1 2502 10679 6669 4850 1 1 64439 27968 5022 5917 2821 4604 4228 4485 8041 8074 3616 4132 3132 1486 5159 1 8174 5908 1 6353 6720 6888 3195 3237 4392 4124 35814 26279 3826 2678 3660 2845 26289 23363 4627 5282 2701 1 5034 3844 1878 1 1 4715 1 2228 501.3443 *501.3652* C31 H51 N O2 S 1 1 25760 19218 3212 3316 1 2466 2524 1 1 1 1 1 2564 3109 1 1 4946 3265 1 2213 1 1 6306 5652 2497 1 2306 2128 19198 16465 2736 2590 1038 1 1 1 1 1 3415 5056 1 1 11447 8120 1 1 3244 3876 2333 1322 2483 2570 1613 1 1 1 1 1 3537 3646 4852 5418 3519 3106 1 1 17045 17299 6058 4655 1 1 1 1 9788 9276 2865 2807 3064 2701 3097 3418 1 1 2069 1717 2361 1 501.3652 *501.3665* C27 H51 N O7 25263 24601 521075 515380 72519 72472 48815 52617 43359 45252 33471 33094 55029 56047 55581 57084 48404 51038 77620 76649 44819 43578 39878 40218 139805 137915 47144 45103 64257 63877 356865 351830 56601 55458 28377 27707 30982 1 40158 40331 80518 83074 34356 33924 235664 240429 39798 40275 81605 82034 52794 53149 63990 64213 48297 49137 11829 11615 44678 43395 74921 71990 106719 104772 65216 64705 32429 33361 324706 323408 131777 135898 29201 28510 25549 24821 186746 185789 55172 57532 60819 63136 60962 61799 14717 15417 34408 35453 47232 45856 501.3665 *501.5824* 501.5824@6.2890687 1 1 2110 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 1 1 1 1 501.5824 *501.6716* 501.6716@5.1186137 1 1 51423 51373 2412 2682 1 1 1 1 1 1 2125 2132 1 1 1 1 1 1 1 1 1 1 19019 18109 1 1 1 1 17776 16740 1 1 1 1 1 1170 1 1 1 1 1248 1 13260 14067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 1498 1808 1783 1 1 21570 20205 17192 17570 1 1 1 1 12853 11927 1 1 1 1 1 1 1 1 1 1 1 1 501.6716 *501.6718* 501.6718@5.0389667 1 1 1 1082 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 501.6718 *501.8052* 501.8052@1.2085514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 501.8052 *501.808* 501.808@6.0907073 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.808 *501.8243* 501.8243@1.1962214 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.8243 *501.8326* 501.8326@6.289567 1 1 1318 1213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.8326 *501.833* 501.833@1.2023363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.833 *501.841* 501.841@3.4695997 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.841 *501.8427* C15 H2 O12 S4 1 1 20042 19587 3768 1 2615 5900 1 1 4169 1 3859 3961 1849 2418 5987 1 2156 8601 1 1 1 1898 9018 9702 1 1799 3949 4334 16361 1 2493 1 1 1 1 5693 2828 4899 4239 3348 1 4737 1 1 5473 4989 1 1 1623 2221 2188 3040 1847 1 1 1 1 1704 3765 3842 4858 5127 4076 3727 1 1501 18352 1 13677 13125 2105 4285 3125 1 11623 12412 3132 2754 1561 2431 2877 2495 1 1 1972 1980 1 2292 501.8427 *501.8429* 501.8429@3.6979492 1 1 3711 39563 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.8429 *501.8434* C12 H13 Cl3 O5 S5 1 1 36257 1639 1 9116 3494 1 1 1378 1 1722 6815 6923 1798 4558 1 6687 4195 1 1 1 1 1 16046 14923 3138 2849 2336 1 25000 38425 4212 5755 2069 2336 3175 1 1 1 1 5457 5945 1 1 32791 1 1 1 1 3824 4036 5739 5990 3124 2473 1 1 2582 2767 6691 6319 1 6234 6373 6954 4734 2935 23186 45139 17433 19476 2618 1 1 1507 18426 17488 4829 5112 2945 3184 4123 5300 1 1 2706 2880 4989 2675 501.8434 *501.976* 501.976@1.2045723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.976 *502.0046* 502.0046@5.1155777 1 1 23499 22955 1302 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8326 8065 1 1 1 1 7685 7804 1 1 1 1 1 1 1 1 1 1 1 1 5622 7339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9604 9327 8134 8056 1 1 1 1 5055 5451 1 1 1 1 1 1 1 1 1 1 1 1 502.0046 *502.1576* 502.1576@1.9429142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1439 1657 1 1 1 1 1 1 1 1 1034 1270 502.1576 *502.3001* 502.3001@4.418681 1 1 1361 1 1 2149 1 1 1 1 1 1 2916 3960 1 1 11770 12576 1 1 1 1 1 1 1 1 2434 2448 1 1 1 3265 1 1 1 1 1 1 1 1 1 1 1 2160 1 3787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 1935 1 1 1 1 1 1 1 3461 2479 2537 1 1 1 1 1 1851 5188 5224 1 1 1 1 1 1 1 1 1 1 502.3001 *502.3216* 502.3216@3.6311028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1605 1 1 2791 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3216 *502.3283* 502.3283@1.0264107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1881 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3283 *502.3285* 502.3285@5.1573315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3285 *502.3457* 502.3457@3.7794127 1 1 1 1 1 1 1 1 1 1 1 1 1 4603 1 1216 1585 1 1 2810 1 1 1 1 1 1 1 1045 1 1 1 12722 1 1 1 1 1 1 1 1 2323 3019 1 1483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2446 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.3457 *502.5562* 502.5562@1.2045723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.5562 *502.8473* 502.8473@3.7967267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.8473 *502.9904* 502.9904@5.1120615 1 1 6262 6611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1846 1 1 1 1 1604 1999 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 2021 2352 1655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 502.9904 *503.1498* 503.1498@1.9401913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1122 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 1621 1511 503.1498 *503.1586* 503.1586@1.9449868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2935 1 1 1 1 1 1 1 1 1 1 503.1586 *503.2202* 503.2202@1.2050419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.2202 *503.2556* 503.2556@7.011038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1425 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.2556 *503.294* 503.294@2.8730593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.294 *503.2953* 503.2953@2.8096037 1 1 6584 4343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2239 1478 1 1 1 1 3909 3075 1 1 1 1 1 1 1 1 1 1 1 1 4781 7049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 1 1 1 1 1 1 1 1887 1266 1 1 1 1 1 1 1 1 1 1 1 1 503.2953 *503.2958* 503.2958@2.939368 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 2513 1623 1 1 1 1 1 1 1 1 1 1 1 1 2679 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 1 503.2958 *503.2976* 503.2976@1.0893929 1 1 1 1 1 1 1 1 1 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 1 503.2976 *503.3142* 503.3142@1.0645791 1 1 1 1 1698 1 1 1 1560 2923 1 1 1 1 1 1 2205 2036 2427 1791 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1022 1936 2217 1 1 1 1 1 1 1 1 1 1 1732 1 1 1 1 1 1 1 1 1 1 1 4854 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.3142 *503.3165* C33 H45 N O S 1665 1 1 1749 1 1438 1921 1570 1 1 1 1 1385 1106 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 3128 4530 1 1 1 1 1 1 2481 2642 1509 3046 1 1 1 2068 1 1 1 1 3213 3006 2403 2995 1 1 1 1 1 1471 1 3877 2249 2338 4299 2760 1 1 1725 1586 1268 1443 1 1 1 1 1037 1560 1 1 1 1 2558 3966 1 1 2559 1558 1 1 503.3165 *503.3276* 503.3276@5.087718 1 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.3276 *503.3633* 503.3633@4.903649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.3633 *503.3918* 503.3918@0.9901564 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 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 1 503.3918 *503.4* 2-hexacosanamidoethanesulfonic acid 1 2041 1 1 1 1 1 1 1 1 1803 2471 1 1 1 1 1596 1 1780 1 1084 1 1 1013 1 1 1188 1448 1644 1897 1 1271 2839 1785 1730 2037 2345 2570 2635 2585 2138 1734 2094 1538 2041 1739 1 1 1759 1843 1888 1805 2168 1921 4022 2130 3086 2686 1 1779 2394 1597 2652 3174 2873 1 3861 3678 1 2686 3978 3185 2901 2975 1966 1806 2628 2419 3046 3214 2923 3236 2503 2194 2907 1962 2636 3432 2379 2190 503.4 *503.6559* 503.6559@5.112761 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.6559 *504.1618* 504.1618@1.9449873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3488 1 1 1 1 1 1 1 1 1 1 504.1618 *504.2039* 504.2039@1.0708967 1 1 1 1 1 1 1 1 1 1 1 1 1 29619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.2039 *504.3233* 504.3233@1.0667194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 504.3233 *504.3336* 504.3336@1.06245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 504.3336 *504.3432* 504.3432@1.0775551 1 1 1 1 1584 1 1 2933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 504.3432 *504.3606* 504.3606@1.212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 504.3606 *504.3655* 504.3655@0.99692327 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6622 1 1 1 1 1 1 1 1 1 1 7890 6405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5886 2505 1 1 1 1 1 1 504.3655 *504.3714* 504.3714@0.9957555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 504.3714 *504.3794* 504.3794@1.2110585 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 2306 1 1 1 2286 1 1748 1 1 1 1 1 1800 1 1790 1 1 1 1715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3794 *504.3814* 504.3814@3.7611518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3814 *504.3818* 504.3818@3.8694706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3818 *504.3823* 504.3823@3.6287038 1 1 1 1 1 2471 1692 1 1 1 1 1 1 1 1 1 1403 1 1 1 1 2537 1 1 1 1 1 2602 1 1 1879 1 1 1 2457 1 1 1 1 1 1 1 1 1 2080 1 1 1 1 1 2801 4990 1 1 1 1 1 1 1166 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.3823 *504.3833* 504.3833@3.806965 1 1 3481 1 5345 1022 1 1 1 1603 1 1 1 3214 1 1 2873 2142 1 1 1600 1 3412 2192 1 1 1 1035 1197 1822 3160 2353 1 1 3238 1836 1 1158 1932 1 2611 1 1 5411 2416 2853 3864 1 1 1 1465 2541 2975 1 2192 1 4410 1 1417 5264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1433 1 1 1 1 1 504.3833 *504.3842* 504.3842@3.7320287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3545 1 1 1 1 1 1145 2186 1 1 1 1 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 1 504.3842 *504.8828* 504.8828@3.8217132 1 1 1 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 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 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 1 504.8828 *504.8868* 504.8868@3.7971716 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504.8868 *505.3106* 505.3106@4.7301016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1084 1 1 1 1 1 1 1 1 1 1 505.3106 *505.3114* 505.3114@3.682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 505.3114 *505.3124* 505.3124@3.7198687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2190 1 1 1 1 1 1 1 1 1 1 505.3124 *505.3585* 505.3585@1.1398716 1 1 1422 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 505.3585 *505.3628* C27 H55 N O3 S2 26437 27309 20920 19759 20263 20484 24750 26133 24634 25404 20868 22438 23628 25779 18339 18035 18516 19992 19460 22541 6679 15752 22362 23532 15071 15391 20189 19874 17627 18932 20503 20748 16265 18637 21691 21227 19006 18356 23664 23278 15379 16103 20943 22495 18795 19304 23356 21215 17907 18007 16467 11770 16871 17261 17089 17595 24178 23901 19928 19574 16230 16070 19962 17854 16747 17458 19271 21031 17008 16121 18105 16247 21745 21234 28763 26984 17064 16544 18087 19796 18877 16286 18722 10835 25924 23889 20906 21091 19861 21291 505.3628 *505.3628* 505.3628@1.1001433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 505.3628 *506.0053* 506.0053@5.0757627 1 1 3681 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 1234 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.0053 *506.11* C18 H22 N10 O2 S3 1054 1 1 1 1 1 1119 1296 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1462 1 1 1497 1552 1641 1741 1711 1726 1315 1505 1 1 1 1 1745 1539 1 1 1 1 1272 1396 1 1 1090 1068 1756 1771 1960 1696 1982 1403 2357 2157 1 1 1 1090 2635 2409 1524 1243 1906 2063 1053 1315 1934 1636 1 1097 1 1053 1810 1617 1 1 1880 1958 506.11 *506.2286* C27 H26 N10 O 52733 51780 48614 48362 51567 50947 47156 47182 56416 56447 35870 35986 61188 61589 71496 71544 52512 51123 54864 55046 46236 45814 58184 57366 30790 31641 38509 39758 52250 54383 56579 57521 59379 58165 55604 55342 36161 36229 48108 48928 47518 46620 50427 52270 30732 30791 61744 62153 55953 56080 46457 47342 49094 50246 47158 48640 51780 51151 49520 47690 64067 61929 53942 49760 44404 44358 40413 39174 41233 41123 42341 43849 53317 55169 49402 48862 54962 52489 46715 48495 33511 32949 35755 35529 38569 38876 40419 41283 48441 49703 506.2286 *506.2331* 506.2331@1.216439 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.2331 *506.321* 506.321@1.2029632 1 1 1 1 1 3147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.321 *506.3234* 506.3234@1.2023454 1 1 1 1 2421 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1733 1 1 1 1 1 1 1209 1606 1 1 1 1 1 1 1 1 1 1 1 4058 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1338 1380 1 1 1 1 1 1 1 1 1 1 1 1 5651 5588 1 1 1 1 1 1 2624 2870 506.3234 *506.3371* 506.3371@1.204365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 506.3371 *506.3416* 506.3416@5.091919 1 1 3662 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 1 1 1 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 1251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.3416 *506.348* 506.348@1.2040668 1 1 1 1 1 1 1 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 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.348 *506.3597* 506.3597@3.94638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1986 1627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.3597 *506.3598* 506.3598@1.1512761 1 1 1 1985 1 1 1 1 1 1 1 1 1 1 1 1 1588 1 1919 1 1 1 1 1 1 1 1 1 1512 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5128 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5278 1 1922 1 1 1 1 506.3598 *506.3619* 506.3619@3.9755735 1 1 1 1 1 1 1 1 1 1 4873 4448 1 1 1869 1 1 1 1 1 3086 2879 1 1 1 1 2991 2869 3442 1870 1 1 1 1 1 1 1 1 1 1 1 1 7144 7183 1878 1 1 1 1 1 1 1 1 1 1026 1343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1 1 1 1 1 1 1 1 1 506.3619 *506.676* 506.676@5.087718 1 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 1 506.676 *506.8662* 506.8662@3.9714215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1 1 1 1 1 1 1 1 1 1 1 1 1 2852 3651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 506.8662 *507.1054* C20 H29 N O8 S3 4279 4497 2858 3079 3671 3825 4925 5004 3984 3794 1881 1693 1 1 1234 1024 1903 2078 1504 1319 2843 2963 1936 2025 2600 2169 2193 2098 1 1 4976 4951 3308 3347 6310 6464 8221 7881 7679 7944 5274 5046 3996 3991 2188 2136 6522 6546 1 1 2453 2203 5873 5804 2877 3030 4531 4782 6327 6412 8946 8657 6784 6384 9200 9493 2159 2290 4275 4206 9614 10009 6267 6204 7902 7681 5307 5217 6352 6515 5004 4559 3685 4109 7344 7397 2598 2557 7066 7805 507.1054 *507.3035* 507.3035@1.7253861 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.3035 *507.3184* 507.3184@7.283013 1 1 8204 7646 1609 1108 1 1327 1 1 1678 1886 1556 1423 1 1 1 1 1082 1 1 1 1 1 4506 4413 1 1 1 1 5009 4736 1 1 1 1 2633 2209 1 1 1 1 2815 2608 5433 5182 1376 1676 1 1 1 1 1 1737 1 1 1 1272 1 1195 1 1 1 1630 1480 1676 1 1 5850 5606 3502 3536 1 1 1 1 2636 3139 1 1 1 1 1 1 1183 1 1 1 1 1 507.3184 *507.3511* 507.3511@1.1997621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2065 1 507.3511 *507.3576* 507.3576@1.1370089 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1908 507.3576 *507.3761* 507.3761@1.2056404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 1634 1 1 1 1 1 1 1 1 1 1 1 1 2003 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17074 16710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2781 4737 1 1 1 1 1 1 1 1 1 1 507.3761 *507.4465* 507.4465@1.1858898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1048 1 1 1 1 1 1 507.4465 *507.6542* 507.6542@7.2849545 1 1 5121 6533 1 1051 1 1 1 1 1386 1179 1 1 1 1 1 1 1 1 1 1 1 1 2829 3168 1 1 1 1 2801 2837 1 1 1 1 1935 1891 1 1 1 1 1960 1770 3496 3304 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3915 4403 2315 2568 1 1 1 1 2086 1983 1 1 1 1 1 1 1 1 1 1 1 1 507.6542 *507.9869* 507.9869@7.2868824 1 1 3013 2432 1 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 1144 1433 1 1 1 1 1 1 1 1 1 1 1 1 1548 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 507.9869 *508.1027* Fluorescein monoglucuronide 7684 7764 4917 5031 6890 6358 9391 9575 6660 7343 3208 3583 1 1 1824 1873 3613 3861 2047 1726 4787 5109 3651 3522 4366 4826 3963 4418 1 1 9055 9328 5950 5593 12537 12630 14859 14360 13900 14248 9174 10461 7152 7465 3605 3595 11977 12872 1089 1263 4021 3721 11139 11012 5078 5169 8597 8999 11495 11680 15869 15468 13202 12437 17021 17317 3634 3904 7836 7002 18314 17919 10436 11942 14811 14575 8814 9078 11521 11571 9140 8871 6207 6826 13495 12555 4281 4240 13578 15120 508.1027 *508.1522* 508.1522@3.9505877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 508.1522 *508.1672* 508.1672@1.2896124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.1672 *508.1704* 508.1704@1.206499 1042 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.1704 *508.1908* 508.1908@1.1943414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.1908 *508.1989* 508.1989@1.2007675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 508.1989 *508.2122* 508.2122@1.7910787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 508.2122 *508.3388* 508.3388@1.2052265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3388 *508.3476* 508.3476@3.7001379 1 1 4820 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 1 1 2502 3096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2164 1 1 1 1 1 1627 1 1 1 1 1 1 1 1 1 1 1 1 508.3476 *508.3491* 508.3491@3.7531145 1 1 2832 3229 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 1706 1772 1 1 1 1 1 1 1 1 1 1 1 1 3218 1999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6046 5756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3491 *508.3556* 508.3556@1.2033583 1 1 1 1738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2258 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3556 *508.3567* 508.3567@1.2049522 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 1 1 1 1 1 1 1 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 1924 1 1 1 1 1 1 1 1 1 1 1 508.3567 *508.3686* 508.3686@1.0859414 1 1 1 1 1 1 1145 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2920 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3686 *508.8493* 508.8493@3.7255738 1 1 1 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.8493 *508.8502* 508.8502@3.7667522 1 1 2904 1540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.8502 *509.2123* 509.2123@1.7900393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2868 1 1 1 1 1 1 1 1 1 1 509.2123 *509.395* 509.395@1.2053331 1 1 25921 26698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.395 *509.4151* 509.4151@1.2046362 1 1 1 1 1 1 1 1 1240 5451 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 1 1 1 1 1 1 1 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 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 2502 1 1 1 1 1 1 509.4151 *509.4274* 509.4274@1.2014935 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 5895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 509.4274 *510.1191* 510.1191@1.6481724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 510.1191 *510.1205* 510.1205@1.6271628 1 1 1 1 1 1 1 1 1606 1659 1 1 1005 1 2060 1712 1 1 1 1 1 1638 1 1 1 1 1159 1 1 1 2262 2394 1305 1326 1122 1 1 1 1 1 2008 1938 2397 1582 1 1017 1 1 1 1 1424 1 1 1 1 1 1692 1630 1 1 1404 1319 1 1047 1 1 1 3946 4180 1597 1490 1251 2388 1 2541 2079 1863 1613 1057 1857 1 1 1508 1382 1 1 1 1 1 3312 510.1205 *510.1628* C23 H26 N8 O2 S2 2970 2861 6470 6084 3941 3184 11547 11965 6047 6244 5579 5576 17744 17749 16615 15120 9552 9608 14219 14206 10303 10176 2962 2824 19899 20756 5316 4750 16182 15951 24378 23971 7333 7693 4995 4969 3702 4175 6552 7013 9181 9055 16464 16335 5773 5814 10973 11248 6941 5888 10687 10328 14239 14520 4675 4412 2428 2555 8948 9095 35767 35868 13926 14590 35445 35113 7158 6982 15064 15499 6305 6082 11097 9958 8488 8433 15821 15716 4068 3784 3352 3740 6327 6670 1950 1414 14771 14989 15047 15700 510.1628 *510.3208* C26 H54 O3 S3 7582 8363 15115 14417 9151 9188 10374 9358 9001 9783 6969 7153 12665 12295 11906 11950 6629 6730 8229 8685 8666 8533 9826 9971 8000 7307 8333 8307 8636 8168 7771 7857 6509 6046 6943 6685 6892 6452 6273 5873 6815 7294 9010 8867 7499 8137 7551 7390 6560 5888 5108 5596 6418 6473 4266 4054 5591 5487 6402 6425 5737 4420 5386 5679 5748 5701 3527 3573 4766 5607 2429 3124 5354 4953 5646 5439 3963 4167 4572 4281 4969 4746 4545 4515 3377 4104 5081 5595 6232 5696 510.3208 *510.3208* 510.3208@5.8992333 1 1 2339 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3103 2537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 1042 1 1 1 1 1 1 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 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.3208 *510.3213* C15 H34 N20 O 7629 6955 66611 64885 20882 20613 14388 14715 14223 15105 14025 14036 22950 23875 6284 7975 9911 9065 14774 12030 5838 7895 7720 6830 37825 36582 10314 10157 10639 9509 43683 43539 6228 6971 8829 9518 20120 18960 11283 11635 13783 13935 22373 23480 47806 46127 18854 18964 13336 13372 8795 8128 20132 19531 10198 9662 10943 11947 10000 9440 14584 14562 14535 14528 17469 18514 5734 5766 53656 52804 36891 38006 7821 7248 6966 7228 31454 31247 17642 17816 7169 6934 7735 5992 10671 9612 7793 7512 6347 5890 510.3213 *510.3377* 510.3377@5.2183084 1 1 1861 2173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.3377 *510.3886* 510.3886@4.5704107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1113 1 1 1500 1 1574 1024 1 1529 1119 1 1 1046 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.3886 *510.6691* 510.6691@5.219306 1 1 1287 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.6691 *510.8018* 510.8018@4.766002 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 1407 1 1 1 1 4019 3761 1 1 1 1 1 1 1 1 1 1 1 1 1566 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1647 1710 1 1 1 1 1 1 5136 5177 1109 1 1 1 1 1 1083 1098 1 1 1 1 1 1 1 1 1 1 1 1 510.8018 *510.823* C13 H3 Cl2 N3 O7 S4 2915 3346 29134 29360 9471 9090 5884 6041 6368 5811 5931 5350 10916 10772 2419 3120 3948 4337 6550 6274 3985 3549 3020 3000 16351 16634 3625 4095 4145 3962 20946 19873 2932 2549 3900 4084 8663 8968 4710 4693 5949 5383 9910 9599 23086 22390 8068 8333 5575 5538 3963 3383 8906 8457 4196 4349 5332 4927 3803 4182 6403 6402 5828 6678 8339 8225 2341 2695 24747 24300 17774 18426 3255 3545 3420 3120 14463 15129 8110 8010 2794 3057 2384 2828 4444 4403 3764 3528 2127 2415 510.823 *510.8232* 510.8232@5.824177 1 1 1041 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.8232 *511.1768* 511.1768@1.7960753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 511.1768 *511.2096* 511.2096@1.160077 1 1 1 1 1 1 1 1 1 1 1 1 1 17161 1 1 1 1 1 1 1 1 6346 1 1 1 1 1 1 1 1 1 1 3591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13185 1 1408 1 1 1 1 1 511.2096 *511.3015* 511.3015@4.7521734 1 1 1 1 1 1 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 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2260 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.3015 *511.3406* 511.3406@5.2558584 1 1 2552 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.3406 *511.3418* 511.3418@1.0112457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 511.3418 *511.4009* 511.4009@1.0796642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.4009 *511.4075* C19 H45 N17 3645 1 5171 1 1 1 1118 1014 5130 5449 1093 10308 1386 2199 3566 3693 1 1 5215 1722 1101 3585 8627 8822 1 1050 14627 4134 12722 13143 2506 3559 1 1174 1303 1532 1 1 1 1522 2809 3072 8975 10121 1 5173 1 1 1 1 1119 1090 1511 2371 1763 1 2980 3175 10331 10609 1081 2341 1 1 2661 2789 3991 1 2024 3180 1808 1081 1182 1013 1 1 1 1 1 1028 6876 7189 10214 9778 1132 1782 3177 1 1686 1 511.4075 *511.4096* 511.4096@1.1555666 1123 1 1 4735 1 1 1128 1 1 1 10540 1 1 1 1 1 1 1 1539 5384 3282 1 1 1 1 1 4602 14076 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 5094 1 1 1 1 1 1 1 1 1 1 3133 1 1 1 1 2478 1 1 1 2837 2730 1 2896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1906 1 2921 511.4096 *511.6766* 511.6766@5.261669 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 511.6766 *511.9157* C17 H4 O17 S 5286 5278 4988 4959 5164 4898 5385 5306 5371 5004 5140 5060 5108 5068 5235 5453 4918 5156 5052 5113 5590 5620 5287 5565 5175 4902 4978 5521 4839 4832 4842 5134 5322 5702 4823 5000 4823 5342 5490 5535 5572 5175 4486 5056 5187 5332 5183 5319 5127 5757 8998 9078 7394 7822 7038 6032 5618 5625 6030 5601 9161 8966 5553 5989 7013 7525 7891 7463 5409 5663 10422 10908 5201 5608 6359 6586 9264 10057 9414 9340 10404 9844 9716 9596 9727 10441 9325 9657 7012 7229 511.9157 *512.1635* 512.1635@1.7980366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3738 3253 1 1 1 1 1 1 1 1 1 1 512.1635 *512.1798* 512.1798@1.7550509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1613 2011 1 1 1 1 1 1 1 1 1 1 512.1798 *512.1958* 512.1958@1.1609113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10209 10272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.1958 *512.3366* 512.3366@6.374508 1 1 2136 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.3366 *512.342* 512.342@1.1554695 1 1 1 1 1 1533 3771 2973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.342 *512.3576* 512.3576@1.0720673 1 1 1 1 1727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.3576 *512.3756* 512.3756@1.004678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2638 1 1 1 1 1 1 1 512.3756 *512.38* C24 H48 N8 O4 2795 4515 1 3099 2510 2531 1 1965 1 1 1515 1 1 1 1498 2089 1 1144 1 1 1840 2760 1 1 1 1356 1 1312 1 2614 2766 1108 3168 1 2000 3420 2418 1 1 1 2338 3028 1 1 1754 1593 1 2987 1209 2519 2082 1932 1 1940 1 2106 2181 2553 2727 1540 1612 2324 1 2329 1 2212 1 1 1 1705 1048 1 1 1 1 1289 1 3005 1 3436 3107 1498 1 2331 1 1921 6417 3043 1 2043 512.38 *512.3805* C25 H44 N12 2122 2878 1 2498 2020 1 1 3060 2412 3218 1888 1 2996 2978 1 1 3904 2460 1 3572 4642 1285 4164 2575 3387 1490 1 1 1 5013 1906 1318 1 2387 2844 1 2866 3004 1 1148 1790 2148 2324 1 1939 1 1 3463 1 1600 6179 4515 1 3234 2266 1 4357 4117 5013 4613 1 1713 1 1 1 1843 1 1 1 1 2111 1 1 1 2229 1 1 1608 1 2411 3404 1206 1 3068 1 3257 1 1 1 1 512.3805 *512.3805* 512.3805@3.9147232 1 2652 1 1 1 1 1 1555 1 1 1844 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1422 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1770 1 1 1931 1 1 1 1 1397 2613 1 1 1 1 1 1234 2518 1712 3340 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 1 1377 1 1 1 1 1 1 512.3805 *512.3807* 512.3807@3.8344672 1 1 1 1 1 1 1 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1053 1 1 1 1 1 1 2539 1572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2534 1 2124 1 1 1 1 1 1 512.3807 *512.3812* 512.3812@4.062254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.3812 *512.3904* 512.3904@1.0002321 1 1 1 1 1 1 1 1 1 1 2015 1 1 1 1 1 1 1869 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 2325 1 1 1 1 2251 1933 1 1437 1 1 1 1707 1 2803 1 6379 1 1671 2829 3364 1495 1 2894 2026 1 1 1542 2100 1900 2536 1576 1061 1 2922 8895 3381 3780 1984 1 1892 1 1 1 1485 1864 1537 3361 3610 1 1 2120 2341 3056 2069 1 1 512.3904 *512.4011* 512.4011@1.2105225 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.4011 *512.5872* 512.5872@6.3730073 1 1 2173 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 1 1 1 1 512.5872 *512.8* 512.8@6.0901713 1 1 1662 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 1332 1 1 1 1 1 1 1 1 1 1 1 1 1276 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.8 *512.8807* 512.8807@3.9684377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1842 1 1 2014 1798 1 1 1 2551 1 1 1807 1 1 1 3956 1 1 1273 1 1 1 1 1 2637 1 1419 2984 1 1 1 1114 1 2858 1 2325 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.8807 *512.8822* 512.8822@3.7620592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 512.8822 *512.8824* 512.8824@3.9323695 1 1532 1524 1 1 2878 1 1 1 1897 1 1275 1 1 1911 1 4194 2078 1 1 1 1 1377 3698 1 1 1 1 1 1554 1985 1 1 1 1 1 1 1 1 1 1981 1 1 1846 1194 1 1 1684 1071 1 2445 1 1237 1978 1 1 1 1 2494 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 512.8824 *513.155* 513.155@1.7885389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7488 10229 1 1 1 1 1 1 1 1 1 1 513.155 *513.164* 513.164@1.7551025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 513.164 *513.3147* 513.3147@4.9745655 1 1 1175 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3147 *513.3435* 513.3435@3.2962494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3435 *513.3665* 513.3665@1.2048293 1 1 1653 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3665 *513.3752* 513.3752@4.0372634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1203 1 1 1 1 1 1 1 1 1 1337 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 513.3752 *513.3864* 513.3864@1.2913579 1 1 1 1 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 1 1 1 513.3864 *513.8716* C29 Cl2 O2 S2 1042 1 1105 1 1 1 1 1 1021 1154 1 1 1025 1137 1 1 1162 1 1 1125 1018 1 1076 1 1 1 1083 1 1 1 1 1 1020 1196 1 1 1 1016 1 1002 1116 1031 1050 1086 1234 1069 1 1123 1280 1 1467 1420 1207 1264 1415 1167 1174 1129 1 1106 1293 1320 1071 1080 1273 1189 1387 1071 1080 1113 1488 1290 1024 1 1051 1075 1500 1378 1430 1341 1430 1520 1316 1263 1571 1606 1401 1368 1092 1195 513.8716 *514.1363* 514.1363@5.654205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 514.1363 *514.2023* 514.2023@3.4504962 1 1 1158 1 1 1 1 1 1 1392 1 1 1415 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 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 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 1 1 1135 1 1012 1 1 1 1 1 1 514.2023 *514.2234* 514.2234@1.4371767 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 7972 8241 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 514.2234 *514.2318* 514.2318@1.058712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.2318 *514.259* 514.259@5.43401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3398 2898 1 1 5497 5716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.259 *514.4008* 514.4008@2.1527443 1 1 1 1 1 1 1 1 1 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 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 1 1 514.4008 *514.402* 514.402@2.836485 1 1 1 1 1 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.402 *514.4026* C33 H54 O4 12233 9755 3901 2963 3349 8927 1 1 2972 1 3309 4389 7186 2633 9800 10249 11504 4211 3367 8378 4491 8300 9092 10155 1 8213 1 3950 12065 1 6958 11327 1 1 1743 4007 13510 14959 7513 14944 9583 3399 1289 1 1691 1 1 1 1 1 1 1 2125 1 1 3467 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 2244 2448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.4026 *514.4029* 514.4029@2.831126 1 3262 2548 3105 3062 1619 1 1 9334 3546 1 1 1 1452 3316 1 10635 1 2629 1637 1 2939 1 2867 2640 1 2462 1 10745 3739 2756 3205 2894 1 10870 3333 1 3322 1 1956 2593 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.4029 *514.4046* C19 H46 N16 O 1 1 1 1 1 137156 3722 1 1 107772 1 1 1 1 1 1 1 1 1 10257 168190 1 1 65989 1 1 1 4122 1 1 8931 20146 1 11490 3079 1 1 1 1692 1 14332 24944 1 1 1 1 14578 1 1 1 1 1 1 12947 194056 1 1 1 328342 2260 3912 9671 10059 1 20257 1 2947 11552 1 12866 314159 270400 1 1 1 14091 21255 1 1 1 3615 2459 37719 34380 26766 13809 30867 1 1099 1259 514.4046 *514.406* 514.406@1.1704423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 133380 1 1 1 1 1 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 1 1 1 6140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3302 1 1 1 1 1 514.406 *514.4062* 514.4062@1.0574753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80520 1 1 1 1 1 1 1 1 1 1 1 1 1 626674 61111 1 1 1 76668 1 43865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13717 1 1.23E+07 87092 1 1 1 193971 141510 1 1 1 1 1 1 1 328330 26411 1 1 1 42241 100248 1 1 1 1 113187 1 1 1 514.4062 *514.4105* C28 H58 N4 S2 9532432 9341723 6100765 6117867 8093352 7867973 8217396 8302824 7523949 7653776 1.28E+07 1.24E+07 6149309 6339604 6512106 6603371 1.10E+07 1.13E+07 8590162 8554090 6962091 7058303 8462180 8234893 8754672 8721057 9737775 9655075 9224652 9242591 9489732 9460582 1.24E+07 1.16E+07 1.04E+07 1.05E+07 1.22E+07 1.20E+07 1.19E+07 1.25E+07 1.17E+07 1.17E+07 9206322 9331067 1.14E+07 1.14E+07 1.08E+07 1.08E+07 1.19E+07 1.18E+07 1.15E+07 1.16E+07 1.43E+07 1.42E+07 1.45E+07 1.47E+07 1.67E+07 1.66E+07 9979658 9325562 1.19E+07 156414 1.50E+07 1.48E+07 1.44E+07 1.47E+07 1.85E+07 1.84E+07 1.68E+07 1.68E+07 1.81E+07 1.82E+07 1.47E+07 1.42E+07 1.19E+07 1.07E+07 1.39E+07 1.37E+07 1.35E+07 1.33E+07 1.35E+07 1.41E+07 1.45E+07 1.44E+07 1.38E+07 1.36E+07 1.51E+07 1.51E+07 1.14E+07 1.15E+07 514.4105 *514.5933* 514.5933@1.0634549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 514.5933 *514.7215* 514.7215@1.0366771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 514.7215 *514.7399* 514.7399@1.0216527 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 1 514.7399 *514.755* 514.755@1.0260336 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.755 *514.7662* 514.7662@1.0208058 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 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.7662 *514.7793* 514.7793@1.032245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.7793 *514.7912* 514.7912@1.0264049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2989 1 1 1 1 1 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 1 514.7912 *514.8172* 514.8172@1.0237702 4373 1 1 5000 1303 1 1784 1 1 1 1 1 1 1 1 1 1 1 1399 1 1 1 1292 1 1 1 1 6362 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 5022 1 1 1 1 1 1 1 1691 1 1 1 1 1 1 2559 1 1 1 1 3268 6361 1 2770 1 1 1 3188 1 5687 1 1 1 1 1 1 2079 1 1 1 1 1 514.8172 *514.8211* 514.8211@1.0162401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4772 1 1 1 1 1 1 1 1 1436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 514.8211 *514.8305* 514.8305@1.0291879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2166 1 1 1 1 1 1 514.8305 *514.8803* 514.8803@0.99202985 18444 1 6652 1 1 1 1 1 1 8436 1 22559 1 1 1 8431 1 1 13176 12833 1 1 1 1 1 11708 1 1 1 17742 14444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22031 1 21497 1 1 28374 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 1 514.8803 *514.8917* 514.8917@0.9875171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24116 1 1 1 1 1 1 1 1 1 1 1 1 25122 1 1 1 1 1 14319 1 1 1 1 1 1 1 1 1 51452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.8917 *514.9035* 514.9035@1.0334651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.9035 *514.9154* 514.9154@1.0365388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 514.9154 *514.9286* 514.9286@1.019933 1 1 1 5739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2579 1 1 2619 1 1 2737 1 1 1 514.9286 *514.9375* 514.9375@1.0221958 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 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 3565 1 1 1 1 1 1 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1242 2400 1 1 1 1 1 1 1 1 1 1 1 514.9375 *514.9513* 514.9513@1.0061224 1 1 1 1 1 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 1 5208 1 1 1 1 1 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 8100 1 514.9513 *514.9593* 514.9593@1.0103567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 13183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5826 1 1 1 16812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2472 514.9593 *514.9837* 514.9837@1.0096585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6170 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 4331 1 1 1 1 1 1 514.9837 *514.9951* 514.9951@1.0046421 1 1 1 7293 1139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5419 1 1 1 1 1 1 8430 1 1 1 1 1 1 1 1678 1 1 1 1 1 8822 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 514.9951 *515.0005* 515.0005@1.0021685 3958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12750 1 1 1 1 1 1 1 2966 1 1 1 1 1 1 1 1 1 1 1 1 1 6837 1 9965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2114 1 1 1 1 1 1 13328 1 1 1 1 1 1 1 1 13755 1 515.0005 *515.0178* 515.0178@1.0018955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7163 1 1 1 1 1 515.0178 *515.0308* 515.0308@1.0173988 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2059 1 1 1 1 3742 1 1 1 1895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5791 1 1 1 1 1 1 1 1 2467 1 1 1 1 1 1 1 1 1 515.0308 *515.0422* 515.0422@1.006296 1 1 1 1 1 1 1 1 1 5010 1 5146 1 1 1 1 1 1 1 1 1 1759 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 7529 1 1 1 1 7492 1 515.0422 *515.0442* 515.0442@1.0097075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 12016 1 1 1 1 1 1 1 1 7126 1 1 1 1 1 1 4186 1 1 1 515.0442 *515.0614* 515.0614@1.0049508 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.0614 *515.0744* 515.0744@0.9849597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.0744 *515.0838* 515.0838@0.9980174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9919 1 1 1 13118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19151 1705 9736 1 24989 1 1 1 1 1 1 1 12888 1 1 1 18787 1 9007 1 1 1 1 1 3375 515.0838 *515.0965* 515.0965@0.99637336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2786 1 1 1 1 1 11952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16491 1 1 1 1 1 1 1 1 1 1 1 1 1 515.0965 *515.1037* 515.1037@1.009533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.1037 *515.1073* 515.1073@1.7640233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.1073 *515.1211* 515.1211@0.9921582 1 1 1 1 1 1 1 6056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.1211 *515.1285* 515.1285@0.9984167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.1285 *515.1362* 515.1362@0.99959975 1 1 1 1 1 1 1 1 1 6392 1 9558 1 1 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 6919 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 1780 1 1 1 1 1 1 1 515.1362 *515.144* 515.144@0.99036014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.144 *515.1552* 515.1552@0.9990405 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 1 1 1 1 1 1 1 1 2029 1 1 1 1 1 1 1 1 1 9533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42424 1 1 26253 1 1 1 1 1 1 1 1 1 1 1 1 1 24215 1 9970 1 1 1 1 1 1 515.1552 *515.1672* 515.1672@0.99936515 1 1 1 1 1 1 1 1 7251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4541 1 1 1 1 1 1 1 14906 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 21771 1 1 1 1 23238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.1672 *515.1962* 515.1962@0.99724877 1 1 1 1 1 1 1 1 1 1 1 3194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13155 1 1 1 1 1 12562 1 1 1 1 1 1 1 8704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8377 1 1 1 1 1 17280 1 1 6469 4308 1 1 1 515.1962 *515.2054* 515.2054@1.0015826 1 1 1 1 1 1 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 4736 1 1 1 1 1 1 1 1 1 1 1 1 515.2054 *515.2201* 515.2201@1.0060625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 5705 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.2201 *515.2329* 515.2329@0.99662656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.2329 *515.3438* 515.3438@3.6502037 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.3438 *515.3442* 515.3442@3.6302402 1 1 6393 1536 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 3267 3957 1 1 1 1 1 1 1 1 1 1 1 1 4854 3334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3924 5755 3699 1979 1 1 1 1 3862 4747 1 1 1 1 1 1 1 1 1 1 1 1 515.3442 *515.3821* C24 H50 Cl N9 O 1375 1508 25950 1 4352 5130 3593 3610 2245 2679 3450 1879 3024 3032 2068 2827 2687 2795 3981 4357 1 1935 1980 2392 7287 5605 3375 3571 3182 3436 18323 18327 3489 1 1 1 3149 2787 1 2807 4909 5171 2030 1468 12664 13769 2699 2640 4053 3957 3122 3566 4648 4057 2737 1684 1 1 2678 1 5202 5481 6090 7902 5108 3759 1 1 18712 16274 11424 7506 1 1 1 1 10847 12054 4439 2715 3545 3926 4508 4164 1 1 3293 1 1 2319 515.3821 *515.3898* 515.3898@1.2015501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2240 1 1 1 1 1 1 1 1 1 1 1 1 3333 1385 1999 1 1 2527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2951 1 1 1 1 1 1 2734 1 1 1 1 1 2339 1 1865 2363 1 1 1 1 1 1 1 1 1 1 1 1 4173 1 515.3898 *515.4041* 515.4041@1.163208 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 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2450 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 1050 1 1 1 1 515.4041 *515.4083* 515.4083@1.0798447 4764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10838 1 1 1 1 1 3255 1 1 1 1 1 1 1 1 1 1 1 1 9378 1 31806 1 1 1 1 1 1 1 1 9637 8939 1757 1 102468 1 1 1 1 1 18543 7591 1 1 1 1 1 1 63408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54720 1 1 1 1 1 515.4083 *515.6044* 515.6044@1.0434883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 515.6044 *515.6809* 515.6809@1.0027516 1 1 7234 6731 1 12347 10661 1 7930 12187 1 1 1 1 1 7235 1 1 1 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 1254 1 1549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.6809 *515.6895* 515.6895@0.9953979 1 1 1 1 12164 1 1 11217 1 1 1 1 5439 1 1 1 1 1 1 11858 9839 9128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17484 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 515.6895 *515.702* 515.702@1.0386688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 515.702 *515.722* 515.722@1.0170629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.722 *515.7299* 515.7299@1.0290394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1036 1 1 1 1 1 1 1 515.7299 *515.7426* 515.7426@1.0286661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1755 1148 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 1 1 1 515.7426 *515.7508* 515.7508@1.0283194 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 515.7508 *515.7598* 515.7598@1.0116729 1 1 1 4146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.7598 *515.7758* 515.7758@1.0107867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.7758 *515.7838* 515.7838@1.0239469 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 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2437 1 1 1 1 1 1 1889 1 1 1396 1 1 1 1 1748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.7838 *515.7965* 515.7965@1.012076 1 1 1 1 1 1 1 1 4912 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1654 1 1 1 1 1 1 515.7965 *515.8182* 515.8182@1.0021718 1 1 1 1 1 1 1 6095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 5979 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 1 1 1 1 1 1 8818 1 1 1 1 1 1 1 515.8182 *515.8285* 515.8285@1.0087681 1 1 1 1 1 6892 1 1 1 4224 2851 1 1 1 1 5030 1 1 3599 1 7386 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 7549 9048 1 2406 1480 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1590 1 1 2432 3017 1 1 1 3315 1 1 1 1 1 515.8285 *515.8393* 515.8393@1.0138386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.8393 *515.8617* 515.8617@1.0220923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.8617 *515.8752* 515.8752@0.9937751 1 1 1 2776 1 1 1 1 1 1 1 1 4590 1 1 1 1 1 1 1 1 6970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5210 1 1 1 1 1 1 1 1 1 1 1 1 9040 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 8534 7381 1 1 1 1 1 3711 12299 1 1 9869 515.8752 *515.8842* 515.8842@0.99372876 1 1 1 1 1 1 1 8423 1640 1 1 1 1 2072 1 1 1 1 1 1 1 1 1 1 1 1 1 5600 1 1 1 1 1 1 9663 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9822 13103 1 28421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4827 10523 1 1 1 1 1 1 1 515.8842 *515.8973* 515.8973@0.9984262 1 1 1 1 1 1001 13965 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 10113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5133 1 1 1 1 1 515.8973 *515.914* 515.914@0.98671514 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.914 *515.9199* 515.9199@0.9990506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3241 1 1 1 1160 1 1 1 7662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4662 1 1 1 1 3715 1 1 1 1 1 1 1 1 1 1 515.9199 *515.9365* 515.9365@0.99692357 1 1 1 1 1 5279 1 1 1 1 3979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.9365 *515.9445* 515.9445@0.98228896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.9445 *515.954* 515.954@1.0026679 1 1 1 1 1 1 1 1 1 1 1 8575 3559 1 1 1 1 1416 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3324 1 1 1 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 8794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.954 *515.9718* 515.9718@0.9981172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4007 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.9718 *515.9795* 515.9795@0.9940747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4478 1 1 2412 1 1 1 1 1 1 1 7787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4368 1 8328 1 1 1 1 1 1 1 1 1 1 1 1 1 2156 1 10613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6400 515.9795 *515.9918* 515.9918@0.9891889 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515.9918 *515.9926* 515.9926@1.0211501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 515.9926 *515.9973* 515.9973@1.011193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 515.9973 *516.0115* 516.0115@5.1336102 1 1 10466 10916 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 1 2086 2372 1 1 1 1 1713 1625 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 3781 3456 2288 1952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.0115 *516.0129* C22 H16 N2 O7 S3 1 1 101384 101549 6029 6076 1049 1 1 1 1 1 4286 3540 1 1 1 1 1254 2038 1 1 1 1 38674 39479 1 1 1 1 32503 34948 1 1 1 1 2845 2688 1 1 1 1 1960 2297 28915 29420 1 1 1 1 1 1 1860 2297 1 1 1 1 1 1 1 1 2446 2800 2714 3166 1 1 6588 38585 32337 34848 1 1 1 1 24769 24208 1 1 1 1 1 1 1 1 1 1 1 1 516.0129 *516.0132* 516.0132@5.2272654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.0132 *516.0153* 516.0153@0.9963975 1 1 1 1 1 1 3835 5353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4968 1 1 1 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5240 1 1 1 1 1 1 1 1 1 1 1 516.0153 *516.019* 516.019@1.0046093 1 1 1 1 1 1 1 1 4451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 516.019 *516.0274* 516.0274@0.9941734 1 1 1 1 1 6284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3976 1 1 1 1 1 1 1 1 1 1 1 1 1 7748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.0274 *516.0359* 516.0359@0.99753845 1 1 1 1 1 1 1 1 1 1 1 1 1 4119 1 1 1 1 1 1 1 1 1 1 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 3077 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.0359 *516.0477* 516.0477@1.0003378 1 1 3139 1 1 1 1 1 1 1 1 1 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7301 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3209 3805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8499 516.0477 *516.0552* 516.0552@1.0047097 1 1 1 1 4967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2572 4826 1 1 1 1 2070 1 2704 1 1 1 1 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 3739 1 1 1 1 1 516.0552 *516.073* 516.073@0.9941012 1 1 1 1 1 1 1 1 2346 1 1 1 1612 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11167 1 1 1 1 1 1 1 1 1 1 1 516.073 *516.0837* 516.0837@0.99916387 1 1 1 1 1 1 1358 1 1 3233 5458 1 1 1 1 1 1 1 1 3655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.0837 *516.0929* 516.0929@0.9999574 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1133 1 1 1 1 5086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.0929 *516.1011* 516.1011@1.7651021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3806 3932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1011 *516.1021* 516.1021@0.99414647 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1021 *516.1184* 516.1184@0.99573743 1 1 1 1 1 5439 1 1 1 1 1 1030 1 1 1 1 1 1 4130 1 1 1 1 1 6134 1 1 1 1 1 1 1 1 8382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1184 *516.1204* 516.1204@1.770544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2592 1 1 1 1 1 1 1 1 1 1 516.1204 *516.1261* 516.1261@0.9922706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1261 *516.1402* 516.1402@0.99465513 6306 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 2176 1 1 1 1 1 1 1 1 1 1 1 1 5343 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1402 *516.1511* 516.1511@0.9909253 1 1 1 1 1 1 1 1 1 1 1 1 4436 1 1 1 1 1 1 1 1 1 3636 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 5378 1 2964 1 1 1 1 10184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1511 *516.1566* 516.1566@0.9895095 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 4642 3737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7236 1 516.1566 *516.1664* 516.1664@1.0755423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5010 1 1 1 1 1418 1 1 1 1 1 1 1 1 1 19673 11405 1 1 1 1 1 1 1 1 1 1 1 1 1 5226 1 1 1 1 1 1 1 1 1 1 1 1 1 4496 1 1 1 1 1 1 1 1 7308 1 1 1 1 1 1 1 1 1 5878 5854 1 1 1 1 1 1 11837 11023 516.1664 *516.1669* 516.1669@1.1560191 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.1669 *516.1843* 516.1843@0.9910336 1 1 1 1 5389 1 1 1 1 1 1 5838 1 1 1 1 1 1 1 1 1 1 1 1 1 4834 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6464 1 1 1 1 1 1 1 1 1 7213 516.1843 *516.1966* 516.1966@3.0441864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1132 1 1 1 1 1 1 1 1 1728 1476 1 1 1 1 1 1 1 1 516.1966 *516.1999* 516.1999@0.99164903 1 1 1 1 1 1 2055 1 1 1 1 1 1 1 1 1 6257 1 1 1 1 1 1 1 1 1 1 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 7252 1 1 1 1 1 1 1 1 1 1 1 1 1 7318 6651 1 1 1 1 1 5030 1 1 1 1 1 1 1 1 1 7095 1 1 1 1 516.1999 *516.2089* 516.2089@0.986487 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 4596 1 1 1 1 1 1 31373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2089 *516.2228* 516.2228@0.99494326 1 1 1 1406 3630 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 1 1 1 1 1 6903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6437 1 1 1 1 1 1 1 1 1 516.2228 *516.2427* 516.2427@0.997559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 6709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 6553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2427 *516.2455* 516.2455@0.98627096 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 1 516.2455 *516.2786* 516.2786@6.320669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4065 3819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.2786 *516.3462* 516.3462@5.2167783 1 1 77682 72837 4577 4880 1 1 1 1 1 1 3400 3541 1 1 1 1 1 1 1 1 1 1 30083 28060 1 1 1 1 26708 25671 1 1 1 1 2752 2506 1 1 1 1 1591 1589 22350 21141 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1126 1 1997 2489 2629 1 1 2844 3464 23779 27647 1 1 1 1 17861 18651 1 1 1 1 1 1 1 1 1 1 1 1 516.3462 *516.3464* 516.3464@3.640761 1 1 1 3259 1 1 1 1 2234 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 516.3464 *516.3472* 516.3472@5.1663957 1 1 1 1 1 1 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 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31653 28689 1 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.3472 *516.3501* 516.3501@4.0080285 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.3501 *516.3672* 516.3672@1.203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 516.3672 *516.4106* 516.4106@1.0937996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9350 1 1 1 1 1 1473 1 1 1 1 1 1 1 1565 1 1 1 1 1 1 1 2703 3393 1 1 6022 1699 1 1 3855 1 1 1 10193 1 1 4775 1 1 3706 1 1 1 1 1 1 1 48487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.4106 *516.4114* 516.4114@1.0197741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 81706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.4114 *516.5927* 516.5927@1.0218371 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.5927 *516.5999* 516.5999@1.012017 1 1 1 1 1 4287 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 7907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.5999 *516.6691* 516.6691@0.99644595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.6691 *516.6763* 516.6763@0.9888166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6182 1 1 1 26422 1 6010 1 1 5050 1 1 1 1 1 8528 1 1 1 1 1 5651 1 1 1 1 1 1 1 1 1 1 7712 1 1 1 1 1 1 1 6816 1 5669 1 1 1 1 1 1 516.6763 *516.6767* 516.6767@1.0178193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 516.6767 *516.6802* 516.6802@5.220143 1 1 40171 33799 1762 2151 1 1 1 1 1 1 1724 1210 1 1 1 1 1 1 1 1 1 1 15965 15716 1 1 1 1 14555 14572 1 1 1 1 1250 1 1 1 1 1 1 1 11337 10153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 13740 14034 13570 10991 1 1 1 1 7789 9840 1 1 1 1 1 1 1 1 1 1 1 1 516.6802 *516.681* 516.681@5.1392927 1 1 3902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.681 *516.6848* 516.6848@0.991678 15846 1 1 1 1 1 1 1 1 1 1 3908 1 1 1 1 1 1 1 1 1 1 1 12495 1 1 1 14052 1 3332 4616 13762 1 1 1 1 1 1 16369 1 24239 1 16821 1 1 1 1 1 2487 5698 1 1 1 1 1 8266 1 1 26244 1 1 1 1 26330 1 8573 12384 1 1 1 1 1 7124 1 1 1 7222 1 1 2432 1 1 1 1 6329 3522 6325 1 4001 1 516.6848 *516.6971* 516.6971@0.9912876 1 1 1 1807 1 1 1 1 1 1 1 1 1 1 1 3069 1 1 1 1 1 1 1075 1 1 3728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 516.6971 *516.7068* 516.7068@1.0158328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.7068 *516.714* 516.714@0.9825876 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.714 *516.7381* 516.7381@0.99695796 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 3079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1770 1 1 1 6553 1 1 1 1 1 1 3911 516.7381 *516.7466* 516.7466@1.0018442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.7466 *516.7562* 516.7562@1.0005023 3518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3341 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 5076 1 1 1 1 1 1 1 1 1 2140 4198 1668 1 1 1 1 6844 1 1 1 1 1 1 1 1 1 4157 1 1 1 4160 1 1 1 1 1 1 516.7562 *516.7738* 516.7738@1.0000395 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 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 5545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.7738 *516.7885* 516.7885@0.99080676 1 1 1 1 1 1 1 1 1 1 1 5530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4659 1 1 3003 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 4192 1 1 1 1 1 1 1 1 1 1 7506 6220 1 1 1 1 516.7885 *516.8031* 516.8031@0.9870268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3385 1 1 1 1 1 1 1 1 516.8031 *516.8131* 516.8131@0.9970814 1 1 1822 1 1 1 2199 1 1 1 1 1 1 1 1 1 1 1 1 2732 1 1 1 1 3979 1 1 1 1 1 1 1 1 1 1 4524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5227 1 3614 1 1 1 5285 5098 1 1 1 1 1 3668 1 1 1 2368 1 1 1 3369 1 1 1 1 1 1 1 1 5165 1 1 1 1 1 1123 5335 1 1 516.8131 *516.8329* 516.8329@0.9916465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 11010 1 1 1 1 1 3340 12167 1 1 1 1 1 1 1 1 5205 1 1 1 1 1 1 516.8329 *516.845* 516.845@0.9950773 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.845 *516.8571* 516.8571@0.98958206 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 1 1 1 1 1 5765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.8571 *516.8705* 516.8705@0.99376994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2623 2997 1 1 1 1 1 1 1 1 1 4045 1 1 1 1 1 1 1 1 1 1 5116 1 1 1 1 1 5868 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 5140 1 1 1 1 1 1 1 1 1 516.8705 *516.881* 516.881@0.99572104 1 1 1 1 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 4450 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 7824 1 1 1 1 1684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.881 *516.8945* 516.8945@1.0006752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5943 1 1 1 1 1 1 1 1 1 5292 1 1 1 1 1 1 1129 1 516.8945 *516.9006* 516.9006@0.99015754 1 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 11974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 516.9006 *516.9159* 516.9159@0.98895663 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 1 1 1 1 1 1 1 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 1 516.9159 *516.9234* 516.9234@0.9957053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4801 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.9234 *516.9348* 516.9348@0.99306715 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9100 1 1 1 1 1 2367 1 1 1 1 1 1 1 1 1 1 1 1 1 6338 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 1 516.9348 *516.9462* 516.9462@0.9907294 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 2532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 516.9462 *516.9544* 516.9544@0.9915439 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3563 1 1 1 1 1 1 1 2434 1 1 1 1 1 1 1 2029 2518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6610 1 1 1 6744 1 1 1 1 1 1 1 4134 1 1 1 1 1 1 1 1 1 1 1 1 516.9544 *516.9644* 516.9644@0.9930579 1 1 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 1 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 1 516.9644 *516.9782* 516.9782@0.9980769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3774 7323 1 6783 1 1 1 1 1 1 2830 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 516.9782 *516.9855* 516.9855@0.99915546 1 1 1 1 1742 1 1 1 1 1331 1471 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 9495 1 1 1 1 1 1 1 1 1 1 4187 1 1 1 1 1 1 1 1 516.9855 *516.9966* 516.9966@0.9955058 3015 1 1 1 1 1 1 1 1 1 1 1 3647 1 1418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1 1 1 1 1 1 1 1 1 2326 1 1 1 1 1 1 2576 1 1 3089 1 1 516.9966 *517.0079* 517.0079@0.9935336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1455 1 1 1 1 1 1 1129 1 1 1 1 3347 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9310 1 1 1 1 4272 1 1 1 1 1 5445 1 1 1 14471 1 2632 1 1 1 1 1 1 3710 1 1 1 1 1 1 1 1 1 3500 3416 1 1 1 517.0079 *517.0198* 517.0198@0.99335265 1 1 1 1 1 1 1 1 1 1 1 4507 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.0198 *517.0282* 517.0282@0.99653864 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 2364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 517.0282 *517.0383* 517.0383@0.9919936 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1 2313 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 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 2995 1 1 1 1 1 1 1 1 1 2717 1 1 1 1 1 1 1 1 1 1 5820 1 1 3617 1 1 1 1 517.0383 *517.0508* 517.0508@0.9906522 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 2678 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 3939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.0508 *517.0602* 517.0602@0.9921045 1 1 1 1 1 1 1 1 1 1 2686 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 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 4827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2360 1 1 1 1 1 1 3806 1 1 517.0602 *517.0704* 517.0704@0.99947906 1 1 1 1 1 1 1 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 3843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 517.0704 *517.0855* 517.0855@0.9914185 1 1 1 1105 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 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 4464 1 1722 1 1 1 1 517.0855 *517.0903* 517.0903@0.99266285 1 1 1 1 1 1 1 6490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3833 1 1 1 1 1 1 1 1 2499 1 1 3909 1 1 1 1 1 2054 1 1 4442 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.0903 *517.1078* 517.1078@0.99719316 1 1 1 1 1 1 1 1 1 1 1 3363 1 1641 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 4376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4705 1459 1 1 1 1 1 1098 1 1 1 4483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.1078 *517.1089* 517.1089@1.7690463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5260 5754 1 1 1 1 1 1 1 1 1 1 517.1089 *517.1169* 517.1169@0.98590016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 517.1169 *517.1256* 517.1256@0.9909804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.1256 *517.1421* 517.1421@0.9867066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4125 1 1 1 1 2179 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 3919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.1421 *517.1568* 517.1568@0.9925763 1 1 1 1 1 1 1 1 1 1505 1 1 1 1 1 1 1 6978 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3346 5191 1 5939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5045 1 1 1 517.1568 *517.1626* 517.1626@0.9958851 1 1 1 1 1 1 1 1 1 1 5065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3315 3655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.1626 *517.185* 517.185@1.0040401 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 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 1 517.185 *517.1947* 517.1947@0.98992276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3635 1 1 1 1 1 1 1 1 1 2626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3334 1 1 4321 1 1 1 1 1 517.1947 *517.2035* 517.2035@0.98666936 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 1 1 1 1 1 1 1 1993 1 1 1 1 1 1 1 1 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3190 7628 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 2456 1 1 517.2035 *517.2205* 517.2205@0.9937887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 7301 1 1 1 1 5306 1 1 3109 1 1 1728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.2205 *517.2324* 517.2324@0.99067456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.2324 *517.2399* 517.2399@0.98808706 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.2399 *517.248* 517.248@0.9927956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 517.248 *517.2596* 517.2596@0.9905028 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.2596 *517.281* 517.281@1.0872532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2664 1 1 1 1 1 1 1 1 517.281 *517.3108* 517.3108@3.0765972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11368 4322 1 1 1 1 1 1 1 1 1 1 517.3108 *517.3112* 517.3112@7.212355 1 1 1434 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1364 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1493 1410 1305 1123 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2100 2117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.3112 *517.3448* 517.3448@1.209219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2448 1 1 1 1 1 1 1 1 1 1 517.3448 *517.3579* 517.3579@1.2090755 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.3579 *517.3635* 517.3635@1.2081608 1 1 1 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 1 1 1 1 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1602 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.3635 *517.4081* 517.4081@1.0589343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 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 6017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.4081 *517.5902* 517.5902@0.99210143 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.5902 *517.5998* 517.5998@0.99396795 1 1 1 1 1 1 1 1 1 1 1 1 2188 1 1565 1 1 2200 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 7214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.5998 *517.6056* 517.6056@0.993224 1 5735 1 1 1 1 1 1 1 1 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 3345 1 3545 1 1 1 1 3263 4634 1 1 1 1 1 1 1 1 1 1 4584 1 1 1 1 1 1 1 2255 1794 1 1 1 1 1 1 1 1 1 1 1 1 517.6056 *517.6546* 517.6546@0.9945702 1 1 1 1 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 1311 1 1 1 1 1 1 1 1 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 1 517.6546 *517.6653* 517.6653@5.2241707 1 1 1 8579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3275 2797 1 2707 1 1 1 1 1749 1 1 1 1 1 1 1 1 1 1 1 1 1 517.6653 *517.67* 517.67@0.9928243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1884 1 517.67 *517.678* 517.678@0.99342585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3612 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 1 1 1 1 1 1 1 1 1 1 1 1 1 517.678 *517.6959* 517.6959@0.9925979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.6959 *517.7098* 517.7098@0.9957385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 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 1 517.7098 *517.7212* 517.7212@0.9931367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 517.7212 *517.7302* 517.7302@0.9992671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2396 1 1 1 1 1 1 1 1 1 1 1 1 1 517.7302 *517.7385* 517.7385@0.9914772 1 1 1 1 1 1 1 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 2281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2949 1 1 1 1 1 1 1 1 1 1 1 1 517.7385 *517.7488* 517.7488@0.99097604 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.7488 *517.7597* 517.7597@0.99085194 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 3848 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 2842 1 1 1 1 2893 1 1 1 1 1 2644 1 1 1 1 1 1 1 1 3701 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 1 1 517.7597 *517.769* 517.769@0.98907727 1 1 1 1 1 1 1 1 1384 1 1 1 1 1 1 1 1 1280 2977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.769 *517.7789* 517.7789@0.99484956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3277 1 4184 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.7789 *517.7896* 517.7896@0.9876515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 517.7896 *517.8033* 517.8033@0.9887333 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 2694 1 517.8033 *517.8064* 517.8064@0.98568934 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.8064 *517.8254* 517.8254@0.9896528 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7520 1 1 1 1 1 1 1 1 517.8254 *517.8357* 517.8357@0.991025 1 1394 1 1 1 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 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 1 1 4154 2413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2624 1 1 1 517.8357 *517.8471* 517.8471@0.99052674 1 1 1 1 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 1820 1 1 1 5441 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 2449 1 1 2049 1 1 1 1 1 1 1 8847 1 1 517.8471 *517.8628* 517.8628@0.9896387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.8628 *517.8756* 517.8756@0.98533875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 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 2391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.8756 *517.8859* 517.8859@0.9917661 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1766 1 1 3721 1 1 1 1 1 1 1 1 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 1730 1 1 1 1 1 1 1 1 1 1 9094 3748 1 1 1 1 517.8859 *517.9053* 517.9053@0.9931486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7536 1 1 1 1 1 1 1 1 1 1 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 1 1 2474 1 1 1 1 1 1660 1 1 1 1 1 1 1 1 6280 1 1 517.9053 *517.917* 517.917@0.9946488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 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 1 517.917 *517.933* 517.933@0.9869399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.933 *517.9424* 517.9424@0.9917765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1346 1 1 1869 1 1 1 1 1 1353 1 517.9424 *517.9603* 517.9603@0.99300957 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 1330 1 1 1 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 2721 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 1 517.9603 *517.9719* 517.9719@0.9895925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.9719 *517.9852* 517.9852@0.99027455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 1 1 1 517.9852 *517.9987* 517.9987@5.209996 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2348 2227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.9987 *518.0044* 518.0044@0.9922697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1290 1 1 1530 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 2180 2548 1 1 1 1 1 1 1 1 1 1 1 1 3022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.0044 *518.0218* 518.0218@0.98932034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 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 1383 1 1 518.0218 *518.039* 518.039@4.985953 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 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 1 518.039 *518.0405* 518.0405@4.984002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.0405 *518.0475* 518.0475@0.9969267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1052 1873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.0475 *518.0588* 518.0588@0.9925836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 518.0588 *518.1053* 518.1053@1.770546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8570 8089 1 1 1 1 1 1 1 1 1 1 518.1053 *518.1058* 518.1058@0.998195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2319 1 1 1 1 1 1 1 518.1058 *518.107* C37 H14 N2 O2 1 1 1405 1462 1 1 1 1 1878 1653 1 1 1059 1345 1983 1852 1 1 1 1204 1 1 1285 1152 1 1 2667 2966 1 1 1713 1918 1 1 1 1 1 1 1 1 1879 2173 1677 1767 1270 1 1 1 1 1 3596 3178 1554 1199 1 1185 2164 2287 1 1 1254 1 1129 1 1 1 1589 1691 1271 1341 1 1 2948 2634 1924 1699 2011 1778 2182 2241 1 1 1843 1797 3716 2935 3137 3914 1 1384 518.107 *518.111* 518.111@0.9917868 1 1 1 1 1 1 1 1 1 1 1 1 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 1349 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 2108 1 1 1 1 1 1 1246 1 1 1 1790 1 1 1 1 1 518.111 *518.1233* 518.1233@0.9919263 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 1381 1 1 1 1 1 1 1 1 1 1 1 1443 1 1 1 1 1222 1 1 1669 1 1804 1 1 1 1 1 3490 1 1 1 2316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1233 *518.1321* 518.1321@0.99807596 1 26601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28438 1 1 1 1 1 1 1 1 1 1 1 1 518.1321 *518.1335* 518.1335@0.992431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20297 1 1 1 1 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 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1335 *518.1697* 518.1697@1.0084012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1697 *518.1857* C39 H22 N2 1612 1 1273 1314 1 1 1245 1193 1 1291 1212 1379 1 1 1417 1 1 1 1167 1 1034 1 1 1 1 1 1 1845 1 1 1473 1755 1 1793 1 1 1 1 1 1 1 1 1 1 2384 2688 2140 4281 3465 2232 1491 1633 1769 1838 2094 3566 2541 8164 2055 2063 1955 1753 1631 1484 1 1276 1779 1197 1 1 1360 1024 1371 1 1 1541 1 1748 1788 2003 1 1 1 1 1 1 1365 1 1266 1203 518.1857 *518.1879* 518.1879@1.0862565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1879 *518.1942* 518.1942@0.9886036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.1942 *518.2298* 518.2298@0.9935212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2992 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 518.2298 *518.285* 518.285@0.9921487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 518.285 *518.3336* 518.3336@5.220808 1 1 3795 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 1 1 1 1 1 1 1 1 518.3336 *518.3734* 518.3734@4.9988246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.3734 *518.3958* 518.3958@1.0835985 2893 2047 1374 1 11827 5880 2870 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1179 1 1 1 1193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 2621 1 1 1 1 1 1 1 1 1 1 2764 2328 1 1 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.3958 *518.3965* 518.3965@1.0994223 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 6475 6289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1 1 1 3298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1 1 1 518.3965 *518.4055* 518.4055@1.0547875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 518.4055 *518.556* 518.556@0.9872153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.556 *518.5737* 518.5737@0.99359524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.5737 *518.5871* 518.5871@0.9912479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1523 2153 1 1 2988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.5871 *518.6015* 518.6015@0.9956001 1 1 1 1 1 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 1 1 1 1 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 1 518.6015 *518.6136* 518.6136@0.9928402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 518.6136 *518.6542* 518.6542@1.0048629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 518.6542 *518.6624* 518.6624@0.9889937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2694 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 1 518.6624 *518.6826* 518.6826@0.99492705 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 518.6826 *518.6961* 518.6961@0.99224895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.6961 *518.7076* 518.7076@0.9996412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 518.7076 *518.7219* 518.7219@0.99261487 1 1 1 1 1 1 1 1 1 1 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 1431 1 1 1 1 1 1 1070 1042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.7219 *518.73* 518.73@0.9852069 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 518.73 *518.7394* 518.7394@0.99079925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1067 1 1 1 518.7394 *518.749* 518.749@0.99681973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1045 1 1 518.749 *518.7809* 518.7809@0.9961358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1372 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 518.7809 *518.8156* 518.8156@0.9869228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.8156 *518.8259* 518.8259@0.9965517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3667 1 1 1 1 1 1 1 1 1 1 1 518.8259 *518.8497* 518.8497@0.9951765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 518.8497 *518.8755* 518.8755@0.9934935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 518.8755 *518.8844* 518.8844@0.9941854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 518.8844 *518.9003* 518.9003@1.1879007 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2598 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 1 1 1 1 1 1 518.9003 *518.922* 518.922@0.99275357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 518.922 *518.957* 518.957@0.99463326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 518.957 *519.0155* 519.0155@0.99449563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1 1 1 1 1 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 1 519.0155 *519.057* 519.057@0.99492687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.057 *519.0785* 519.0785@0.99125296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.0785 *519.0919* 519.0919@0.9961832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 519.0919 *519.1556* 519.1556@0.9907521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 519.1556 *519.1653* 519.1653@0.9906417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 519.1653 *519.3255* 519.3255@4.1662517 1 1 4440 3562 1 1 1 1 1 1 2216 3472 1 1 1 1 1 1 1 2408 1 1 1 1 1 3711 1 1 2860 1 2520 2583 1 1 1 1 1884 1843 1 1 1 1 2183 2893 2570 2724 1798 2326 1 1 1 1 1 1 1 1 1 1 1 1 1950 1 1 1 1 1 1 1 5097 5789 2627 3194 1 1 1 1 1917 1 2729 1 1 1 1 1 1 1 1 1 1 1 519.3255 *519.326* C23 H45 N5 O8 21032 22029 146311 148056 78704 79458 60187 60660 58796 57555 54365 54188 123750 123877 19683 20263 387327 388329 54193 55689 19175 20177 21307 21018 81730 82832 99684 99040 62413 59283 118895 118589 7544 6585 33322 32112 56710 56721 43313 44664 42848 44759 87422 90011 126564 123486 57400 58058 38593 38583 10231 10109 57067 57152 23953 23539 34453 34294 40314 39660 89400 88464 46668 46750 66492 69227 7252 6859 131580 135549 106228 105615 31961 32078 24643 24345 99034 104321 183853 193135 28728 28085 16412 17416 39759 40642 27372 27797 21928 19508 519.326 *519.3271* 519.3271@4.4761553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11862 1 1 1 1 1 1 1 1 1 1 1 519.3271 *519.3316* 519.3316@6.499513 1 1 1 1 1 1 1 1030 1 1 1 1 1749 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2729 2943 1 1 1 1 1 1 1 1 1 1 1 1 4234 4193 1 1 1 1 1 1 2861 3273 1 1 1 1 1575 1599 11242 12302 1 1 7654 7648 1 1 1088 1475 1 1 1699 1781 1 1 1734 1317 1 1 1 1 1 1 1 1 1309 1669 4347 4414 519.3316 *519.347* 519.347@1.2488258 1 1 2406 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 519.347 *519.3854* 519.3854@1.2055677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.3854 *519.3934* 519.3934@1.0735215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.3934 *519.4142* C22 H53 N11 O S 1 2730 1786 1658 2268 2311 2360 1 2375 1 3966 3077 1949 1705 1742 1628 2904 1 2478 2302 1899 2076 2455 1980 2414 2228 2926 1 1 2491 1 2584 3616 1 2935 1 3186 3128 3356 3395 3622 2747 1 2477 3273 2846 2824 3457 3410 3348 2809 2982 3367 3786 1 4141 4397 4369 2500 3630 3002 1 3636 4230 5068 1 5344 4604 4878 5327 1 4366 4545 3472 1 3000 4276 3989 1 3577 1 3545 1 3373 1 1 4658 4559 1 3355 519.4142 *519.4185* 519.4185@0.9957283 1 1 1 1 1 1 1 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.4185 *519.5972* 519.5972@4.418726 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 1 1 1 1 1 1 1 1 1 1 1 519.5972 *519.6456* 519.6456@0.98886514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 519.6456 *519.8264* 519.8264@1.0011157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 519.8264 *519.9992* 519.9992@0.98562604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2825 1 1 519.9992 *520.156* C16 H34 Cl2 N8 O3 S2 1 1143 1127 1 1096 1174 1179 1080 1134 1 1 1 1 1 1036 1 1075 1 1198 1062 1 1078 1006 1 1 1 1312 1 1 1 1 1 1061 1188 1 1229 1 1 1274 1 1 1 1041 1047 1 1 1 1 1 1 1 1052 1 1 1009 1153 1227 1344 1089 1 1408 1 1042 1114 1525 1420 1177 1135 1 1077 1 1 1052 1083 1248 1147 1158 1141 1228 1 1 1 1117 1027 1139 1049 1305 1417 1 1571 520.156 *520.2835* 520.2835@2.1373112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6483 1595 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3814 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 1 520.2835 *520.2848* 520.2848@1.9332085 1 1 1972 1786 1 1 1115 1 1 1 2533 2033 1242 1 1 1 1 1 3296 1861 1 1 1 1 6469 6009 1 1 1 1 8059 18443 1 1 1 1 1 1 2874 3925 1 1 2955 1 4129 4097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9388 8010 1 1 2390 2029 1 1 17985 24607 6011 5064 1 1 1 1 5152 4336 1 1 1 1 1 1 1 1 1 1 1 1 520.2848 *520.2853* 520.2853@2.0932503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2434 1673 1 1 1 1 1 1 1 1 1 1 1 1 2120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.2853 *520.3243* 520.3243@4.425691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.3243 *520.3646* 520.3646@1.064337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7434 7299 1 1 1 1 1 1 9908 10487 1 1 1 1 1 1 1 1 1 1 1 1 1113 1745 1 1 1 1 1 1 1 10323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.3646 *520.3751* 520.3751@1.0143375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9286 7734 1 1 1 1 1 1 1 1 1 1 8716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9211 7845 1 1 1 1 1 1 520.3751 *520.3828* 520.3828@1.0159765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4893 1 1 1 1 1 1 1 1 520.3828 *520.3888* 520.3888@1.0222602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6145 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 5607 1 1 1 1 1 1 1 1 1 520.3888 *520.4019* 520.4019@1.0374795 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 2870 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 1454 1741 2562 1 7804 1759 1 1 1 1 1 1 2073 1 1 1 1 1 1 1950 1 1506 3443 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2463 1 1 1 1 1 1 520.4019 *520.41* 520.41@1.043798 1 1 1 1 1 1 1 5209 1 1 2168 1 1 1 1 1 1 1 1956 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 520.41 *520.4103* C28 H52 N6 O3 2440 2561 1121 1 1 8599 7890 3389 1 3291 6132 3465 1 1 1165 2114 1 1 2199 3443 5348 7277 1 1 2174 1123 7331 7645 4439 3135 1 1 1 1 1 2811 3601 5643 1 3734 1 1 1 1 1 2583 3165 2991 1 1 1 1 4712 5203 1 1375 1 4003 5607 5453 6138 5222 1 1 8658 9131 4022 1 7403 8672 3779 1 1504 1 1682 1422 3405 3666 1808 1780 1 1 6073 5631 1 1 3285 4102 1 1 520.4103 *520.4144* C33 H60 S2 5499 5940 4442 5062 3156 3723 4493 2335 3107 3459 3486 3979 3119 4259 1670 3129 3433 1999 2919 3973 1 1 2090 2636 3883 5084 4473 4336 2264 2644 1 1764 2368 1 5047 3377 5944 4274 2938 5286 1896 2096 5629 7094 1 3847 5579 6044 5270 6394 1 1 1542 2332 7077 5844 8093 4600 3916 5161 4491 3575 7771 8178 4692 6322 6181 10017 6330 6900 7170 7759 7240 9408 5505 4829 4695 4968 6495 7102 2773 3255 2318 1 7807 7343 7734 7796 6824 7514 520.4144 *520.684* 520.684@5.185642 1 1 5652 5355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1803 1825 1 1 1 1 1689 1978 1 1 1 1 1 1 1 1 1 1 1 1 1520 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1905 1709 1573 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 520.684 *520.7013* 520.7013@0.9926316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3312 1 1 520.7013 *521.0178* 521.0178@5.1890283 1 1 4486 4577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1658 1795 1 1 1 1 1 1332 1 1 1 1 1 1 1 1 1 1 1 1 1149 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1993 2013 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.0178 *521.2311* C19 H39 N O15 23074 22911 21202 21924 26787 25651 22815 25457 23988 23391 19025 18792 28646 1 25263 24467 27848 26619 26493 25908 21865 22206 22652 23362 19165 19558 20153 20575 24254 24230 16971 17691 18238 17760 17907 17458 20403 20370 24254 24704 19624 21059 22905 21970 21738 21904 20813 20845 23553 23293 18451 18524 18932 18940 17531 17151 15951 16473 13747 13171 7905 7843 7717 7776 6245 6448 5709 5935 8187 8389 17298 17770 19935 19272 19844 19366 17652 18633 16860 16032 15386 14698 16089 16351 12966 13121 19239 18824 18424 18957 521.2311 *521.2336* 521.2336@1.0948192 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.2336 *521.243* 521.243@1.1815009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 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 1334 1 1 1 1 1 1 3388 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.243 *521.3468* 521.3468@6.3626432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.3468 *521.3476* 521.3476@6.460293 1 1 1 1 1 1 1 1274 1 1 1 1 4583 4388 1 1 1 1 1264 1102 1 1 1 1 1 1 1 1 1 1 9421 9450 1 1 1 1 1 2298 1 1 1 1 2854 3294 7990 8176 3136 3030 1 1 1 1 8932 8757 1 1 1 1 2683 2551 19830 20316 2019 2293 13109 12340 1 1 3935 3167 1377 1465 3064 3383 1 1 5042 5346 1 1 1 1295 1 1151 1 1 4049 4052 6936 7253 521.3476 *521.3513* 521.3513@5.1902657 1 1 2102 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.3513 *521.4138* 521.4138@1.0621967 1 1 1 1 1 1 1 1 1 1 1 3075 1 1 1 1 1 1 1 1 2547 1 1 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 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 1 521.4138 *521.4173* 521.4173@1.0006407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.4173 *521.5891* 521.5891@2.7280626 2121 2145 2346 2194 1727 2364 3049 2666 2279 2405 2403 1886 2175 2284 2360 2112 3221 1208 2416 3191 2306 1873 2135 2277 2075 2618 3914 4128 1913 2263 2651 1954 1974 2525 2046 2393 2067 2150 2139 2172 2776 2445 2184 2716 3636 3729 5195 3532 3585 3699 4008 4561 3735 3497 4067 4630 3950 4120 3730 4843 1672 1732 2601 2089 2399 2224 2497 2331 2007 2195 2196 2212 2240 2191 2266 2064 2575 2662 3251 2567 2706 2813 2541 2560 3123 2239 3518 3941 2160 2244 521.5891 *521.5926* 521.5926@0.9893072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 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 1 1 1 1 1 1 1 1 1 1 1 1 521.5926 *521.9947* 521.9947@7.385233 1 1 7098 6458 1276 1224 1 1 1 1 1534 1361 1 1292 1 1 1 1 1 1 1 1 1 1 3380 3494 1 1 1 1 3703 3387 1 1 1 1 2380 2798 1 1 1 1 1886 2163 3710 4072 1 1114 1 1 1 1 1 1003 1 1 1 1266 1 1 1 1 1383 1 1 1 1 1 3938 4263 3130 2540 1 1 1 1 2080 2221 1 1 1 1 1 1 1 1 1 1 1 1 521.9947 *522.1895* 522.1895@1.4341328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1991 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 1 522.1895 *522.2136* 522.2136@1.1640645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1020 1248 1 1 1 1 1 1 1 1 1 1 2719 3247 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 522.2136 *522.2298* 522.2298@1.1697338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 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 1523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.2298 *522.2708* 522.2708@1.0277169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5310 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.2708 *522.3312* 522.3312@7.3861213 1 1 5042 5041 1032 1 1 1 1 1 1 1 1133 1161 1 1 1 1 1 1 1 1 1 1 3073 2604 1 1 1 1 3132 2955 1 1 1 1 1449 2005 1 1 1 1 1718 1679 3318 3581 1 1228 1 1 1 1 1015 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3427 3452 2420 2241 1 1 1 1 1623 1893 1 1 1 1 1 1 1 1 1 1 1 1 522.3312 *522.3542* 522.3542@1.0582055 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.3542 *522.3782* 522.3782@1.002042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 522.3782 *522.3993* 522.3993@1.2011304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 522.3993 *522.4251* 522.4251@1.0729313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.4251 *522.6637* 522.6637@7.385808 1 1 2141 1889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1262 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 1 1 1 1 1 1326 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 522.6637 *523.3435* 523.3435@6.4524364 1 1 2036 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.3435 *523.3545* C27 H49 N5 O3 S 1 1232 5106 2219 16007 8015 1 9775 3272 1 1030 1 1 1 6144 3223 11101 9595 7868 1 1 1 2454 1132 1610 5005 1 1 1 6915 5956 45429 5789 1 1 2285 5286 1 1 1 10523 8511 1 1 3076 1 1 1 1 2187 4901 5859 13070 8706 2762 1 1 1 4498 1 1 4117 1 1 1 8389 2025 1 1660 76454 3698 2439 1 1 1 1 30115 30086 6476 4823 2734 2690 1 5507 1 1 3441 2330 1 2767 523.3545 *523.3545* 523.3545@4.175174 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 1 1 1712 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 1 1 1 1 1 1 1 1 1 1 523.3545 *523.3548* 523.3548@3.902673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 36877 29022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.3548 *523.3551* C26 H53 N O7 S 1 1 102510 100316 1489 6432 9546 1 2535 5087 3401 1767 20025 19937 1 3211 1 1 2724 10756 6875 1 1255 1365 44861 13068 6200 6295 8838 1 64788 21651 1507 5152 3417 2813 4251 1 4938 4954 1 1 6931 7571 57554 55120 7790 7019 4600 4660 1 1 1 2957 2041 1928 1 3046 3912 2808 4193 7815 12959 14049 13297 4298 1376 2593 77051 1 15083 23365 1 4572 1242 1 20769 19314 2631 3229 1 1 5992 2152 1 1 1 1 1 1 523.3551 *523.4318* 523.4318@1.2044183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.4318 *523.4416* 523.4416@1.2029214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 523.4416 *523.591* 523.591@6.4574523 1 1 1915 1734 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.591 *523.8564* C20 H3 Cl3 O9 S 1 1 54126 6734 6737 8304 1 3114 1 2643 1 1 1 9788 3556 2476 4696 5334 3406 3224 3014 3685 1 1 21086 19768 2844 1 4267 3385 33742 24472 2820 1979 2450 1 1446 1 1129 1146 1 5597 1 1 25258 30307 4838 3631 1 2758 1896 1579 4016 1255 1593 1 1 1 2325 1495 5694 5768 1 6734 5103 7348 2837 1 41222 39854 17549 16652 2806 1115 1 1 16232 16265 3169 3312 2083 1 4296 4113 1 1 1 1 1735 1763 523.8564 *523.8568* 523.8568@4.0049543 1 1 1 53297 1 1 1 1381 1 1 1 1 10280 1 1 2115 1 1 2436 1662 1 1 1 1 1537 1 1 1 1 1 1 10831 1 1 1 1 1 1283 1 1 5625 1486 1 3272 1 1 1 1 2620 1 1 1 1 3669 1 1 1 1 1 1 1 1 6629 1 1 1 1 1 1 1 11346 9789 1 1331 1 1 10144 10263 1 2315 1 1 1 1 1 1 1 1721 1389 1 523.8568 *523.8572* 523.8572@4.15598 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 523.8572 *524.1842* 524.1842@1.0778006 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1001 1273 1 1061 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.1842 *524.2069* 524.2069@2.0541384 1102 1 1 1 1 1 1 1 1176 1128 1 1 1290 1033 1633 1816 1 1 1093 1053 1 1 1177 1028 1 1 1407 1674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1 1250 1272 1 1 1401 1391 1 1 1 1 1468 1580 1 1 1 1 1 1 1020 1 1651 1575 1 1 1 1 1228 1488 1 1 1734 1657 1 1 1 1 1026 1002 1 1 524.2069 *524.2818* 524.2818@4.417122 1 1 3161 2461 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1464 1364 1 1 1 1 2470 1 1 1 1 1 1 1 1 1 1 1 1536 1 2860 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 2525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.2818 *524.3235* 524.3235@5.284681 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.3235 *524.3575* 524.3575@3.9739583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2089 1 1 1 1 1 1 1 1 1 8393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2555 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 524.3575 *524.8591* 524.8591@3.9806223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 524.8591 *525.0096* 525.0096@5.325966 1 1 1843 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.0096 *525.2053* C34 H27 N3 O3 2583 2907 1579 1770 1 1 1 1 2348 2667 1299 1243 2903 3284 4609 4645 1828 2016 2687 1928 1980 1817 2743 2761 1725 2150 3207 4161 1551 1800 1315 1262 1 1 1 1 1384 1580 1530 1730 1 1061 1 1 1659 1283 1261 1073 2777 2105 2555 2967 1944 1839 3740 3740 1 1024 1379 1546 3113 3324 1 1 1896 1889 2101 1 2078 2676 3760 4310 1 1 1 1 2606 2690 1 1496 4105 4255 1 1 1484 1 2139 2823 1616 1418 525.2053 *525.2387* 525.2387@1.9680538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 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 1646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.2387 *525.3439* 525.3439@5.324344 1 1 1755 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 525.3439 *525.3575* 525.3575@5.1950808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 525.3575 *525.4219* 525.4219@1.2068696 4542 1 1 1 1 1 1 1 1 2531 1 1 1 1128 1 1 1 1 1343 1378 3593 1956 1 6459 5800 1 1 1 9804 1 1 4731 1112 1 1863 2863 1114 1299 2666 1405 1 1 1 1 2563 1 1 1 1 1 1046 1 1 1759 2732 1 1932 1451 1 1 1 1 1 1 1 1 1581 3207 4081 3861 1 3514 1 1 1 1 1264 1191 2470 1002 1 1 1 1 1 1 1367 1364 1034 1 525.4219 *525.4237* 525.4237@1.2063857 1 1 8858 9192 1227 1086 1 1 3540 1 8509 8314 1 1 4269 4217 1 1 1 1 1 1 5870 1 1 6177 15138 13739 1 11995 4445 1 1 1 1 1 1 1 1 1 1 1 8959 9175 1 4097 1 1 1 1 1 1 1722 1 1 1 1 1 13124 12816 1522 1592 1 1 1 1 1 1 1 1 3642 1 1 1 1 1 1 1 1 1 5879 6133 10509 9391 1 1194 1 1 1 1 525.4237 *525.9335* 525.9335@5.489427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1313 1078 1200 1 1 1 1 1 1 1187 1443 1119 1 1 1091 1015 1 1 1 1743 1 1 1 1076 1148 1563 1366 1329 1278 1698 1668 1569 1597 1611 1721 1441 1407 1 1121 525.9335 *526.0134* 526.0134@5.364032 1 1 2946 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.0134 *526.3514* 526.3514@5.3660316 1 1 2138 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.3514 *526.3798* 526.3798@1.213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 526.3798 *526.3882* 526.3882@0.99216175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.3882 *526.3955* 526.3955@3.905222 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 2772 1 1 2455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.3955 *526.3958* C26 H46 N12 + 3.9591246 1 1 1 1 1 1 1 1 2689 3112 1 9065 1 1 4996 5251 7337 1 4440 3868 7836 1 1 5897 1 1169 3423 1 1 5544 8432 1853 5188 1 1 1 1 4562 5698 6472 1 2752 1 4119 2440 7568 1817 1 1 1 12848 6342 1 1 13424 5833 10266 7388 8983 7265 3451 1 5360 1 2723 1 1 1 2068 2905 1 2589 2072 1 1799 3258 1 1 1260 1 1 1906 2626 2522 1 1600 3470 1 1 3365 526.3958 *526.3962* C33 H54 N2 O S 3076 1355 1782 3663 2554 1 1 2187 1188 1759 1 1914 1965 7552 1158 2525 3346 1126 2752 1276 1405 1156 1 1649 1 1 2648 1921 2260 1 2063 1 2211 2042 1 1 2316 1097 1368 1 1 2099 2527 1 4157 2186 1279 1 1649 2859 3639 2942 3247 1 2181 4682 3721 1601 1636 6087 1 1 1252 1 1 1 1 1 1 1 1 2792 1 1 1 1460 3246 2528 1 1493 1 1 1 1739 1 2487 1 1 1955 1 526.3962 *526.3962* C26 H46 N12 1 1738 1 1 10410 6550 1 1899 2002 1395 1 1 3374 1 3441 2359 1 1 8929 2646 1 1 1 1984 1 3736 3484 1 1979 3033 1455 3843 1235 8815 3366 1 1 1 1 2516 1 2043 2497 1 13311 9555 5356 1 2518 2315 5252 4702 2735 4174 3553 4094 4590 5202 3115 9842 1 1 2892 1 3307 1014 1 1 5211 2121 1 1 3204 3007 1656 2856 1 2661 3483 1 2307 1528 2037 1 1 4005 3211 1 1 1254 526.3962 *526.3965* 526.3965@3.809241 1 1 1 1 1 1 1 1 1600 3525 1 1 1 1 1 1 1 1 1 2865 1 1 1 1411 1 1 1 1 1 3192 1 5330 2215 1 1 1 1 1 1 2159 1 1 1 1 1 1 3206 1 1 1 1 2705 1 1 1 5532 1 1 7018 1 1 1 1 1 2802 1 1 1 1 1 1 1 1680 1 1 1166 1 1 1 1 1 1 1078 1584 1 1638 2759 1 1 1859 526.3965 *526.399* 526.399@1.2167425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2962 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.399 *526.4038* 526.4038@1.2116708 1 1 1 1 1 1 1 1 1 1 1 1 1572 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 1125 1 1 1 1 1 1 1 1 2727 1 1 1 3676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1618 1 1 1 1 1 1 1 1 1 1117 1 1 1 526.4038 *526.8967* C19 H6 Cl N7 S5 3270 1 1 1 1 2845 1 1 1 1 2247 3023 1 1 2669 1 1 1 3359 1209 1870 2064 1 1 1 2156 1757 1320 1 1 2624 1 1 1 1029 1 1537 1 1 1 1 1 1145 4598 2164 2775 1223 1 1 2583 4429 4677 1506 3884 1 1 1501 1547 4417 1 1 1726 1 1 1 1666 1 2618 2442 1140 2923 1 6679 1931 3906 1 2785 4398 1 4612 1 1 1 2423 2532 2757 1 1 5768 1975 526.8967 *526.8975* 526.8975@3.8953116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2768 1 1 1 1 1 1 1 1 1 1 2184 1 1 1 1 1 1 1 1971 1 1684 1 2091 1 1 1 2322 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1 1331 526.8975 *526.8981* 526.8981@3.6457496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 526.8981 *526.8988* C12 H16 Cl3 N5 O2 S5 2081 1 1 1004 2045 1 1 1 1 1 1 1 1 1 1 1 1571 3215 1 1 1 2775 2873 1 1 1 1535 2239 1 1649 1416 3369 1 1048 1969 3162 1204 2640 1 1176 1 1033 1123 1360 1 2514 1544 1 1 1 1597 1 1449 1230 1 1 1484 1669 1 1 1 1 1 1054 1 2484 1 1830 2454 2478 1 1 1 1865 1 1 2954 1126 1 1341 1 3325 1 1838 1 1071 1 1 1193 1866 526.8988 *526.9* 526.9@3.978592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 526.9 *527.2673* C34 H41 N S2 1599 1 1 1 1 1 2049 1 1 1 1 1 1 1 1545 1 1 1 2274 1 3286 2669 1955 1 2103 1860 2067 2299 1 2280 3288 1 2609 3610 2854 1 2860 2669 3077 2879 4009 2818 3569 2842 2352 2964 3053 2424 3399 2908 2904 3224 2946 2630 3925 3148 2484 3247 3617 3184 5577 4910 3192 2691 4527 3757 4061 3910 5878 5393 3965 4239 3942 3364 4105 4231 4402 3811 5488 4128 4510 4703 4630 3819 4215 4327 4798 4495 4601 4979 527.2673 *527.2752* 527.2752@1.0983745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.2752 *527.3095* 527.3095@0.99164504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3095 *527.3579* 527.3579@2.92981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5102 4549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16758 17205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3579 *527.3675* 527.3675@1.0045757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3675 *527.3914* 527.3914@0.9924733 1 1 1 1 1 1 1 1 1 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 2015 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 1 527.3914 *527.4002* 527.4002@3.9201992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1300 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 1 527.4002 *527.4032* 527.4032@1.2045423 1 1 2174 2216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1139 1 2017 9345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 527.4032 *527.411* 527.411@0.9946436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.411 *527.9489* 527.9489@0.99393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.9489 *527.9864* 527.9864@0.8461244 1 1 1 1 1 1 1268 1345 1 1 1 1 1168 1081 1 1 2911 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 1 1 1 5108 5712 1 1 1 1 1 1 1 1 2234 2209 1 1 1 1 1 1 1 1 1 1 4573 4895 527.9864 *527.9882* 527.9882@5.06063 1 1 1591 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.9882 *528.2383* 528.2383@1.4369469 1 1 1 1 1 1 1 1 1 5129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6429 6726 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.2383 *528.3237* 528.3237@5.060129 1 1 1329 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.3237 *528.3661* 528.3661@1.2040981 1 1 9500 6888 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1655 1 1 1 1 1614 2915 1 1 1 1 1 1 1 1 1 1 1 1 3788 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3752 3435 1523 2079 1 1 1 1 4081 4195 1 1 1 1 1 1 1 1 1 1 1 1 528.3661 *528.3752* 528.3752@4.158022 1 1 1 1 1 1 1 1 1 1 3065 3606 1 1 1 1 1 1 1 1 2486 2205 1 1 1 1 1820 1331 2556 3017 1 1 1 1 1 1 1 1 1 1 1 1 5047 5490 1973 1780 1 1 1 1 1 1 1 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 1665 1 1 1 1 1 1 1 1 1 528.3752 *528.4204* C27 H56 N6 O2 S 15977 17995 2776 8205 3844 13539 15704 17278 10661 15312 31661 26444 11327 2596 9362 12631 16327 22190 16300 20747 12818 11237 3742 12954 3529 7426 22101 20776 17068 16893 14265 3896 29550 25985 19776 22326 22524 21793 6576 25317 23581 24637 8282 17012 21400 21851 5001 15635 23914 21178 5404 17213 28165 27991 6788 27232 21411 33904 23677 8359 24981 23890 29202 29282 30669 28817 38668 34066 33201 32531 37131 39778 29354 29487 14268 20291 26189 33464 26546 6779 25985 12236 6958 29070 26528 25411 31356 29337 21423 16728 528.4204 *528.5855* 528.5855@0.9895193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 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 1 1 528.5855 *528.67* 528.67@0.99664265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.67 *528.8769* 528.8769@4.143391 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2561 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 1 528.8769 *529.3621* 529.3621@1.1236662 1 1 4536 4539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056 1 1 1 1 1 4291 4796 1 1 1 1 1 1 1 1 1 1 1 1 2854 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3355 2827 1 1 1 1 1 1 2347 2709 1 1 1 1 1 1 1 1 1 1 1 1 529.3621 *529.3694* 529.3694@1.2027652 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 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1355 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 529.3694 *529.4229* 529.4229@0.9907142 3227 3552 1987 1926 3246 1 2871 2759 2369 2563 1 4517 1874 2500 2222 2182 3762 3643 2982 1 1 2629 2581 2418 2947 1 1 3690 3167 2970 2758 3084 1 4334 3503 3562 4238 3962 4152 3676 3971 1 1 3271 3848 3828 3750 3352 4007 1 4212 3989 4931 5211 4501 1 6355 6394 1 1 4326 3953 5156 4898 4785 4871 8890 7234 1 5788 6992 6948 5397 4942 4218 1 5065 1 4500 4731 1 1 5164 4959 4645 4683 4976 5176 3612 4046 529.4229 *529.4352* 529.4352@1.0841887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 529.4352 *529.4457* 529.4457@1.0807602 1 1 1 1 1 1 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 1 1 1 1 1 1 1279 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1028 1 1 1 1 1 1 1 529.4457 *529.6465* 529.6465@0.9946436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 529.6465 *530.1595* 530.1595@2.0451756 1 1044 1 1 1 1 1 1 1105 1315 1 1 1 1 1758 1988 1 1 1 1 1 1 1 1 1 1 1314 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 1102 1288 1 1 1 1 1092 1031 1 1 1 1 1 1 1 1 1180 1347 1 1 1 1 1 1 1 1 1314 1065 1 1 1 1 1 1 1 1 530.1595 *530.2706* C27 H34 N10 S 14666 16107 19164 27032 30563 30067 24258 20950 30583 25098 22171 22206 45208 35440 37886 36565 28996 32573 31117 29465 33112 33932 19985 22378 24824 27075 21692 20373 42112 41117 42237 50044 34095 34007 13433 16530 16356 16633 21866 20663 41847 45976 18739 20024 22591 22844 21164 22298 22330 21266 28180 29019 44110 41143 1 23335 1 4349 21894 22482 49764 47499 34063 31505 39535 37093 18408 18562 28056 27097 23556 23293 22990 20988 11918 12130 29741 28494 17833 18703 23715 23137 35294 33493 4924 1 26082 26061 19053 19748 530.2706 *530.2736* 530.2736@1.0604794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.2736 *530.2916* 530.2916@1.1239527 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.2916 *530.3624* 530.3624@3.9470062 1 1 4131 1 1 1 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 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.3624 *530.363* 530.363@3.9212663 1 1 4176 5517 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 2062 2915 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5481 5024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.363 *530.3707* 530.3707@3.9133174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3159 2447 1 1 1 1 1 2364 1 1 1 1 1 1 1 1 1 1 1 1 530.3707 *530.3999* 530.3999@0.8856934 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1599 1 1 1 1 1 1 1 1868 2606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2590 530.3999 *530.4* 530.4@1.0661901 1 1 1 1 3042 1 1 2721 1 1 12740 4251 1 1 2530 1 1 1 1 1 1 1 1 1 1 1 29851 3166 1 1 1 1 1 1 16769 2951 1 1 59800 20532 1 1 4631 1 6522 1 1 1 1 1 1 1294 1 1 439993 1 1 1 1 5030 1 1 1 1 1 1 16842 1 1 1 1 15407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25340 530.4 *530.4* 530.4@1.384567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 2475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.4 *530.4002* 530.4002@2.0344543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 3987 3314 2531 2668 3771 3791 1 4097 4521 3135 2980 3391 1 2280 1 1 1 2105 3836 1 1 1 1 1 1 3389 1 1 1 1913 1830 1 2140 1 1 1 1 1 1 1 1 1 1 1 530.4002 *530.4003* 530.4003@2.8966513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4888 1 3209 1613 4258 5290 1847 3508 4392 1 1 4064 3474 5009 4519 1 4724 1 1 1 1 1 1 1 1 1 1 1203 4323 1 4554 4733 1 1 1 4744 1 4178 4781 1 4463 1 1 1 1 530.4003 *530.4005* 530.4005@2.0055776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 530.4005 *530.4022* C34 H58 S2 53943 65913 53584 54210 40103 42677 41943 37840 35146 42808 47953 69109 48101 46813 33270 34794 65104 67548 45677 45303 68801 87152 49264 36567 43408 33076 69446 119763 54815 67847 63034 50289 124889 124896 54425 55025 81766 68971 20459 60817 55020 45394 40164 46458 66472 14548 75273 75508 82863 81920 114310 117205 69134 82401 334171 777611 156348 189042 796877 795131 86654 102893 112009 123109 108925 112209 162734 180773 88971 90954 190596 175907 116166 117534 195462 167884 122143 124185 115692 120616 249186 252592 175377 173811 134418 135225 105154 106288 87460 63555 530.4022 *530.4024* 530.4024@2.792296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.4024 *530.4075* 530.4075@0.9812281 1 1 1 1 1 1 1 1453 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2291 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 1 530.4075 *530.5801* 530.5801@0.9932531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.5801 *530.5942* 530.5942@1.0116162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.5942 *530.6069* 530.6069@1.003904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.6069 *530.6533* 530.6533@0.9936441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.6533 *530.6726* 530.6726@1.0314786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.6726 *530.6853* 530.6853@5.330155 1 1 123314 126280 7643 7579 1 1 1 1 1 1 5229 4844 1 1 1 1 1 1975 1 1 1 1 48995 47999 1 1 1 1 41038 42441 1 1 1 1 3852 4138 1 1 1 1 1 1 34598 35162 1310 1 1 1 1 1 2203 1 1 1 1 1 1 1 1303 1 2987 1 3382 3241 1 1 47968 47053 37661 42611 1 1 1 1 28098 29957 1 1 1 1 1 1 1 1 1 1 1 1 530.6853 *530.6858* 530.6858@1.000173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.6858 *530.6874* 530.6874@5.248432 1 1 14315 14781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 1 1 1 1 1 2220 2406 1 1 1 1 3396 2690 1 1 1 1 2647 2332 1 1 1 1 2416 2493 2031 1495 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 1 1 1 3338 1 1 1 1 4363 5144 2996 3453 1 1 1 1 1920 1400 1 1 1 1 1 1 1 1 1 1 1 1 530.6874 *530.7906* 530.7906@1.0197741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.7906 *530.8176* 530.8176@1.0344666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.8176 *530.8566* 530.8566@1.0339448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.8566 *530.8644* 530.8644@3.9303977 1 1 2847 2139 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2479 1929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.8644 *530.8783* 530.8783@1.0291395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 530.8783 *530.8905* 530.8905@1.0362508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.8905 *530.9568* 530.9568@1.0191581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 530.9568 *531.005* 531.005@0.9989144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 531.005 *531.0207* 531.0207@5.238728 1 1 10667 10430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1685 36233 1 1 1 1 2591 2617 1 1 1 1 1978 1881 1 1 1 1 1673 1 1247 1274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2061 1 1 1 1 1 3585 3398 2550 2401 1 1 1 1 1269 1392 1 1 1 1 1 1 1 1 1 1 1 1 531.0207 *531.021* 531.021@5.330895 1 1 93877 94268 5639 6093 1 1029 1 1 1 1 3889 4029 1 1 1 1 1844 1718 1 1 1 1 37814 1 1 1 1 1 32195 31409 1 1 1 1 3213 3610 1 1 1 1 1 2093 27565 26896 1 1 1 1 1 1 1913 2185 1 1 1 1 1 1 1 1 1 2533 2984 3154 1 1 36207 36411 31176 31677 1 1 1 1 22231 21269 1 1 1 1 1 1 1 1 1 1 1 1 531.021 *531.1138* 531.1138@1.0372524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.1138 *531.2767* 531.2767@1.02278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3252 1 1 1 1 1 5387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.2767 *531.354* 531.354@5.325512 1 1 43288 54331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18170 1 1 1 1 1700 2242 1 1 1 1 1 1 1 15659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21215 17829 14105 14963 1 1 1 1 9997 1 1 1 1 1 1 1 1 1 1 1 1 1 531.354 *531.3564* 531.3564@5.2913175 1 1 5264 6543 3415 3046 1 1 1 1 1 1 2233 1694 1 1 1 1 1 1 1 1 1 1 20739 20505 1 1 1 1 18322 1556 1 1 1 1 1072 1316 1 1 1 1 1153 1290 15955 1 1 1 1 1 1 1 1490 1 1 1 1 1 1 1 1 1 1552 1565 1 1572 1 1 1855 2473 1167 1203 1 1 1 1 1 12647 1 1 1 1 1 1 1 1 1 1 1 1 531.3564 *531.3658* 531.3658@4.100708 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 531.3658 *531.3683* 531.3683@5.228013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3683 *531.3839* 531.3839@4.0358815 1 1 1 1425 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3839 *531.3902* 531.3902@1.2052808 1 1 1 1 6021 6014 5279 6447 4195 1 1 1 4234 4184 4729 4162 1 1 6531 6321 4377 1 6244 5250 8643 9030 4529 4135 1 1 13393 14432 1 1 1 1 4343 1 1 1 4122 1 4439 1 14431 14136 1 1 1 1 1 1 1 1 1 1 1 1 13639 12891 1 1 1 1 1 1 1 1 11096 12067 1 1 1 1 1 1 10473 11116 1 1 1 1 12497 1 1 1 1 1 1 1 531.3902 *531.3924* 531.3924@1.4779978 1 1 1584 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3924 *531.3935* 531.3935@3.1764638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3935 *531.3969* 531.3969@1.2044195 4613 1 1 1 1 1 1 1 1 1 3344 1 1 1 1 1 1 1 1 1 1 4896 1 1 1 1 1 1 4965 1 1 1 1 1 1 1 1 4272 1 1 1 9081 1 6692 1 1 1 6247 1 4709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15453 1 1 1 1 1 1 531.3969 *531.3969* 531.3969@0.78374183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 531.3969 *531.4096* 531.4096@2.9591048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1544 1 531.4096 *531.4109* 531.4109@1.2073706 1 5753 1 1 1 1 1 1 1 1 1 6349 1 1 1 1 6204 5570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6083 1 4482 4006 1051 1 1 1 1 1 1 1 1 1 10433 1 6169 1785 6863 6226 1 1 1 1 1 1 1 1 1 1 7223 8024 1 1 1 1 1 1 1 9204 1 1 1 5637 1 1 1 1 1 8379 1 1 1 1 1 1 1 5472 531.4109 *531.4147* C30 H53 N5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 6334 7154 1 1 1 3041 6869 8293 6023 3500 7509 6773 5918 7061 7958 1 3570 3850 4498 5045 1 1 1 1 1 1 1 1 1 4902 5399 1 4524 4292 1 3647 1 1 1 1 4307 1 2479 1793 5063 531.4147 *531.415* 531.415@1.9287475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2348 2650 1 1 1 1 1 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 1447 1 531.415 *531.418* 531.418@1.7919071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.418 *531.4209* 531.4209@2.1650195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 531.4209 *531.4213* C29 H61 N3 O S2 1113 1 7238 2638 5317 1 5929 7209 6311 7056 6880 9300 1 6389 1 1 1 8227 6446 1 1 1 1 1 5032 2533 8065 7620 1 8046 1 1 3599 2014 8730 1 1 1 4599 1 4124 5935 3642 7168 6667 7408 6759 6414 7017 4505 5757 7152 6742 6822 1 8171 8782 8152 5373 6492 1 2372 4765 3774 2517 1 4780 5501 3084 4878 6203 6397 1 1 1 1 3083 4246 3121 2267 1 4731 2871 4024 3302 2642 3964 1 1 1 531.4213 *531.4256* 531.4256@1.8724604 1 1 1 1 1 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.4256 *531.427* C29 H53 N7 O2 6768 7438 6713 6783 6404 6691 6358 6902 1 8906 3831 6679 6431 4934 6420 5905 1 4849 4412 6670 6554 5351 6570 7223 1605 8225 6848 4446 1 3052 7009 5850 7080 3835 1 6838 7613 2183 6319 1912 6028 5971 6011 5440 1 1 1 6276 5043 1 1 1 1 1 1 1 1 2540 1 1 1 1 1 1 1 1 1 1 2788 1 4359 5647 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.427 *531.4278* 531.4278@2.8329809 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 1347 1 1 1 5538 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 1 531.4278 *531.429* 531.429@2.100162 1 1 1 4579 1 1 1636 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2302 3020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.429 *531.4304* 531.4304@1.1392993 1 21087 6680 1 1 1 1 1 1 1 1 1 5925 1 1 1 11682 1 1 1 1 1 10662 1 1 1 1 14787 1 1 1 1 1 1 175049 13173 1 1 1 1 1 1 1 1 1 1 1 1 1 24649 1 1 1 1 1 1 1 1 1 1 11756 1 1 1 1 1 1 8806 1 1 1 1 1 295814 1 1 1 1 1 1 19748 1 1 1371 1 6985 1 1 1 1 531.4304 *531.4324* 531.4324@1.0782955 103966 130691 63881 55919 1 113595 1 1 1 1 1 1 157906 1 1 1 142839 1 1 1 1 154997 78510 125525 1 1 1 245238 1 1 1 1 1 1 30880 280952 1 1 1 1 1 1 55145 1 1 1 1 1 1 119066 1 1 1 1 1 1 21504 1 1 1 419066 11729 1 1 1 1 1 135714 1 1 1 15547 1 44139 1 1 1 1 1 115616 480506 1 141624 205653 1 312552 1 32058 8049 1 531.4324 *531.626* 531.626@1.0203837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.626 *531.709* 531.709@1.0631914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 531.709 *531.8058* 531.8058@1.0581545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1620 1 1 1 1 1 1 1 1 1 1 1 3217 1 1 1 1 1 1 1 531.8058 *531.8143* 531.8143@1.0328516 1 1823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.8143 *531.8228* 531.8228@1.0460868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.8228 *531.8313* 531.8313@1.0438054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 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 1526 1 1 1 1 1 1 1 1 4309 1 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 531.8313 *531.8408* 531.8408@1.0459365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5574 1 1 531.8408 *531.8499* 531.8499@1.0385386 1 1 1 1 1 1 1 1 1 1122 1 3395 1 1 1 1 1 1 1773 1 1 1 1 1427 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 9707 1 1 1 1 1 1 1 1 1 4455 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1297 1 1 1 531.8499 *531.8594* 531.8594@1.0371432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 531.8594 *531.9041* 531.9041@1.0450792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2723 531.9041 *531.9168* 531.9168@1.0193453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 54915 1 32554 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 1 1 1 1 1 1 1 1 1 1 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 1 531.9168 *531.9185* 531.9185@1.0211705 1 1 1 1048 1 1 1 1 1 1 1 1 1 25345 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 73139 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 531.9185 *531.9422* 531.9422@1.0436021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.9422 *531.9597* 531.9597@1.0379043 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 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 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.9597 *531.9726* 531.9726@1.0310102 1 1 1 1 1 1 2473 1 1 1 4038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4461 4040 1 1 1878 1 1 1 1 1 1 1 1 1 1453 1 1 1 1 1 1913 1 1 1 1 1 1 3432 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 1 531.9726 *531.9753* 531.9753@1.0379952 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 1775 1 1 1 1 1078 1 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 1 531.9753 *531.9924* 531.9924@1.0270379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25563 1 1 1 1 1 1 1 1 1 1 1 2766 1 1 1 2138 1 3621 1 1 1 1 1 1 1 1 1 18051 1 1 1 1 1 1 1 9846 1 1 1 1 1 1 1586 1 1 7556 1 1 1 1 1366 1 1 1 5028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1248 531.9924 *532.007* 532.007@1.0359116 1 1 1 1 1 1 1 1 1 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 532.007 *532.0199* 532.0199@1.0180126 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 14352 1 1 1 1 1 1 1 1 1 1 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 1 532.0199 *532.0303* 532.0303@1.0325854 1 1 1 1 1 1 1 1 1 1 2404 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 2921 1 1 1 1 3448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 532.0303 *532.0433* 532.0433@1.0372509 1 1 1 1 1 5869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3647 2136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.0433 *532.0576* 532.0576@1.0042847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4709 1 1 1 1 1 8664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.0576 *532.0722* 532.0722@1.0224885 1 1 1 1 2190 14321 1 1 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 1 1 13563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 6560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1461 1 1 1 28279 1 1 1 5884 1 1 1 1 1 1 1 7152 532.0722 *532.0798* 532.0798@1.0215211 1 1 1 1 1 1 1 1 1 17994 1 1 1 1 1 1 1 1 1 1 1 10086 1 1 1 1 1 1022 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 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.0798 *532.1024* 532.1024@1.6316768 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 2091 1 1 2036 1 1 1 3614 3162 1 1 1 1854 1 1 1 2950 1 2034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3873 1 4427 1 1 1 1 1 1 1 1 3643 3693 3486 3108 1 1 532.1024 *532.1221* 532.1221@1.0037574 1 1 1 1 1 1 1 1 1 13158 1 1 1 1 1 1 1 1 12023 6867 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 1 1 1 1 41038 1 1 1 1 1 1 1 1 29284 1 1 1 1 10911 1 1 1 1 1 1 1 1 1 1 1 1 1 4486 1 1 51470 1 1 1 1 1 9754 34706 44207 1 1 1 1 33055 1 1 1 1 1 1 532.1221 *532.1226* 532.1226@0.985001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.1226 *532.1331* 532.1331@1.0032324 1 1 1 1 1 1 22615 1 1 1 1 1 1 1 1 1 1 31052 1 1 1 1 1 1 1 1 1 12615 1 1 1 1 1 1 1 1 1 1 1 1 1 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 35889 1 1 1 1 1 1 1 1 1 1 1 2445 30711 1 1 1 1 1 1 1 532.1331 *532.1749* 532.1749@0.99162954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.1749 *532.1849* 532.1849@0.99279225 1 1 1 1 1 1 1 1 1 20428 1 49094 1 1 18905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24779 1 1 1 1 25486 1 1 1 1 1 1 1 1 1 1 1 1 25638 1 1 1 1 1 55271 1 17208 1 1 29361 25497 1 1 1 1 1 1 1 1 44046 1 51893 1 40827 1 1 1 1 39052 18771 1 1 1 14246 28638 1 1 1 1 1 1 532.1849 *532.1918* 532.1918@0.9844525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.1918 *532.2102* 532.2102@0.9909906 1 1 1 1 1 15419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.2102 *532.2519* 532.2519@1.0059208 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 13728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.2519 *532.2693* 532.2693@1.0417964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.2693 *532.2727* 532.2727@1.0087963 1 1 1 1 1 1 1 1 1 1 1 11241 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 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.2727 *532.287* 532.287@1.1753219 1 1 1 1 1 1 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 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.287 *532.2871* 532.2871@0.9851271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.2871 *532.3345* 532.3345@5.8930893 1 1 2514 2730 1 1 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 1508 1542 1 1 1 1 1 1022 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 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3345 *532.3351* C15 H44 N14 O5 S 7315 7651 62800 63270 18224 18982 12691 14226 14249 13490 13262 13321 21169 23238 6616 6677 9125 8752 13982 14193 8817 8910 6301 7149 37038 36052 8603 8828 8423 9032 41030 41683 6123 5906 8715 8718 17524 17802 10341 10076 13323 12536 21390 21868 46170 45097 18285 18567 12154 11551 8360 7932 17914 18824 9580 9427 11925 11328 9119 9320 13268 12901 13289 13901 17096 17195 5217 6030 51453 51654 36068 35319 7055 7207 6255 6996 29140 31670 16175 16767 6288 7025 6505 5769 10930 9940 8044 7930 5540 5452 532.3351 *532.3411* 532.3411@5.3290267 1 1 10421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3916 2729 3313 1 1 1 1 2180 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3411 *532.3424* 532.3424@5.227652 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3424 *532.3955* 532.3955@1.2012131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.3955 *532.4178* 532.4178@1.2058898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.4178 *532.4287* 532.4287@2.850516 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.4287 *532.4322* 532.4322@2.0673354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 2727 1 1 1 1 1 1 1 1 1 1 1270 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.4322 *532.4348* 532.4348@1.1231291 1 69696 1 1 1 1 16757 5449 1 1 2909 1 1 1 1 1 1 1 1 1 1 3932 1 1 1 10083 1 1 4317 1 1 1 1 1 1 1 1 28029 124301 1 1 1 1 4353 1 1 1 1 1 1262 1 6393 1 1 6337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6974 1 1 3340 1 1 1 1 5907 1 6937 1 1 1 1 2838 1 1 1 1 1 532.4348 *532.4355* 532.4355@1.050603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40806 1 1 1 1 1 1 1 1 260144 1 1 1 1 1 35212 1 1 1 1 1 1 1 42618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 89254 1 1 1 1 1 1 1 133853 1 1 1 1 1 1 1 1 1 1 1 1 532.4355 *532.632* 532.632@0.9870884 1 1 1 1 1 1 1 1 27974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.632 *532.6712* 532.6712@5.3259454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.6712 *532.7086* 532.7086@1.0337601 1 1 1297 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 1432 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 1 532.7086 *532.71* 532.71@1.0391202 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2364 1 1 1338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.71 *532.7154* 532.7154@5.074257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 532.7154 *532.7191* 532.7191@1.0470101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3221 1 1 1 532.7191 *532.7682* 532.7682@1.0521213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 532.7682 *532.7876* 532.7876@1.0366261 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.7876 *532.7972* 532.7972@1.0452491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1393 1 2159 1 1 2144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.7972 *532.8082* 532.8082@1.0360646 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1 1 1 1 1 1234 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 2739 1 1 532.8082 *532.8153* 532.8153@4.854481 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 1302 1 1 1 1 4157 2963 1 1 1 1 1 1 1 1 1 1 1 1 1243 1456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1278 1 1 1 1 1 1 3818 4481 1 1 1 1 1 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 532.8153 *532.8198* 532.8198@1.0326114 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 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 1 532.8198 *532.8243* 532.8243@1.0361092 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 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 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2321 532.8243 *532.8362* C25 H2 Cl3 N O S3 3153 2918 30535 30002 9508 8010 6337 6104 6301 5928 6503 5948 10241 10024 2983 2933 4088 4133 6158 5863 3411 3590 2919 2988 16949 16922 3906 4079 4026 3816 19573 20215 2699 2946 3978 3770 8973 8643 4820 4634 5756 5252 10187 9912 21221 21190 8151 8094 5523 5002 3389 3095 7670 8541 4430 3996 5375 5311 3813 3592 5574 5623 6790 5675 7765 7349 2556 2161 24233 24231 16959 16211 2659 3227 2610 2884 14664 14703 7689 7424 2861 3039 2818 2470 4364 3935 3789 3494 2504 2276 532.8362 *532.8375* 532.8375@5.896921 1 1 1124 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.8375 *532.8422* 532.8422@1.03953 1 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 2536 1 1 1 1 1017 1 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1 1 1 1 1 1 532.8422 *532.8517* 532.8517@1.0270951 1 1 1 1 1 1 1 1 3206 1 1 1 1 1 1 1 1 1 1 1743 1 1 1041 1 1 1 1 1 1 1 1 1 1 1328 1 1 1 1 2268 1 1 1 1 1 1 1 1 1 1 3858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.8517 *532.8784* 532.8784@1.0247408 1 1 1 1484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.8784 *532.9133* 532.9133@1.0155631 1 1 1 1 1 1 1 1 1 16454 1 1 1 1 2337 1 1 1 2355 1 1 1 1 15134 1 1 1 1 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 1346 1 20365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 1 532.9133 *532.9213* 532.9213@1.0057786 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 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 33875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.9213 *532.9287* 532.9287@1.0044658 1 1 1 1 19571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3179 1 1 1 1 1 29975 1 1 1 1 17020 1 1 1 1 1 14908 1 1 1 1 1 1 1 1 1 1 1 45582 1 1 1 1 1 1 532.9287 *532.9318* 532.9318@1.0095754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9936 1 1 1 1 1 1 1 1 1 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 1692 1 1 1 1 1 1 1 1 1 1 1 1 49671 1 1 1 1 1 1 1 1 1 17330 1 31379 1 1 1 1 1 1 1 1 532.9318 *532.9449* 532.9449@1.036755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 532.9449 *532.953* 532.953@1.0314801 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 1 1 1 1 1 1 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.953 *532.9612* 532.9612@0.9879105 1 1 1 1 1 1 1 1 1 1 1 1 1 7253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.9612 *532.9729* 532.9729@1.007417 1 1 1 1 1 1 1 1 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11869 1 1 1 1 3098 1 1 3003 1 1 1 1 6228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 532.9729 *532.9797* 532.9797@1.0206817 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 1 1 1 1 1 1 1 1 1753 1 7561 7315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3540 1 1 1 1 1 1 532.9797 *532.9973* 532.9973@1.0060681 1 1 1 1 1 1 1 1 1 1 1 2326 2647 1 1 1 1 19054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4722 1 1 1 1 1 1 1 1 1 1 1 6949 1 18075 1 1 1 1 1 1 1 18181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6186 532.9973 *533.0062* 533.0062@5.3249645 1 1 3226 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.0062 *533.014* 533.014@1.0126492 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6755 1 1 1 1 1 1 1 1 8258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.014 *533.0342* 533.0342@1.0271435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.0342 *533.0468* 533.0468@1.0063568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7477 1 1 1 1 1 1 1 1 14323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12527 1 1 1 1 1 1 1 1 1 1 1 4411 1 4458 1 533.0468 *533.0584* 533.0584@1.0418185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.0584 *533.0732* 533.0732@1.0230576 1 1 1 1 1 1 1 6788 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 1814 1 1 1 1 1 1 1 1 1 1 1 1 5625 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3637 6773 1 1 1 1011 1 1 1 1 1 1 533.0732 *533.0789* 533.0789@1.0064813 1 1 1 1 1 1 1 1 1 1 3454 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 1 1 1 1 1 1 1 7747 1 1 1 1 1 1 26754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.0789 *533.092* 533.092@1.013046 1 1 1 5687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.092 *533.1019* 533.1019@1.0238163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1019 *533.1094* 533.1094@1.0298699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 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 5487 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1094 *533.1187* 533.1187@1.0307131 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1187 *533.1355* 533.1355@1.0254734 1 1 1 1 5314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2384 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1857 1 1 1 1 1 1 1 1 533.1355 *533.1472* 533.1472@1.0040367 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 3699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7680 1 1 1 1 14613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1472 *533.1591* 533.1591@1.0113848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7890 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 533.1591 *533.1666* 533.1666@1.0055485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11525 1 1 1 1 1 1 1 1 1 1 1 533.1666 *533.1733* 533.1733@1.9460894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 1389 1 1 1656 1645 1 1 1 1 1727 1703 1 1 1 1 1 1 1407 1424 1 1 1 1 1 1 1 1 1 1006 533.1733 *533.1875* 533.1875@0.9855293 1 1 6096 1 9180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9026 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1875 *533.1976* 533.1976@0.98858935 1 1 1 1 1 1 1 1 1 1 1 1 7539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19940 1 1 1 1 1 20931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1976 *533.206* 533.206@0.99378437 1 1 1 1 1 1 1 1 7291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23726 1 1 1 1 1 1 1 533.206 *533.2097* 533.2097@0.9914865 12491 1 1 1 1 1 1 1 1 1 1 1 1 6795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17505 1 1 1 1 1 1 1 13042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13562 1 1 1 1 1 14995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2097 *533.2256* 533.2256@0.98514676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6518 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 22541 1 1 1 1 1 1 533.2256 *533.2386* 533.2386@1.0011133 1 1 6990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9687 1 1 1 1 1 9092 1 1 1 1 1 1 1 1 1 1 7091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6336 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 14311 1 1 1 1 1 1 1 1 533.2386 *533.2547* 533.2547@1.0259025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6675 1 1 1 1 1 1 1 1 1 7049 1 1 1417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22418 1 1 1 1 2126 1 1 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2547 *533.2611* 533.2611@0.9881975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2611 *533.2705* 533.2705@0.99723405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5144 1 1 1 1 1 1 1 1 1 7815 1 1 1 1 1 1 1 1 1 8429 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 9290 14893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2705 *533.2812* 533.2812@0.99577254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2812 *533.2891* 533.2891@0.98668426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.2891 *533.3067* C26 H49 Cl2 N5 S 1838 1734 3337 3739 2200 1966 2527 2799 2785 2334 3347 2557 9939 9996 1705 1940 71202 71254 3301 3240 1595 1985 1715 1922 2898 3329 2739 2895 4985 5311 2478 2900 1090 1531 1718 2285 2018 2334 1906 1871 1349 1587 4704 4622 4010 3665 3553 3313 3680 3070 1956 2160 2754 2925 2414 2479 2864 3543 2963 2771 6203 5603 1878 1858 2313 1876 1 1 3062 3387 2919 2725 1936 2510 1 1242 1860 1888 5168 5809 1335 1 1500 1434 1953 1965 1296 1168 2933 2778 533.3067 *533.3187* 533.3187@4.84383 1 1 1 1 1 1 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 1553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.3187 *533.3415* 533.3415@3.6995523 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.3415 *533.4167* 533.4167@1.1772661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.4167 *533.4297* 533.4297@1.1064943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4559 1241 1 1 1 1 3275 1 4305 1 1 1910 1 6812 1 1 1 1 1 1 4295 1 1 1383 1 1 1 1 1 1 1 1 1 1 3482 32457 1 1 1 1 4437 3581 1 2261 31056 1893 1 1 1 1 1362 1 1 3236 1 1 1 1 1 1 1 3182 1 1 1 1 1 533.4297 *533.437* 533.437@1.0518484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23113 1 1 1 1 6974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 90492 1 1 37198 1 1 1 1 1 1 20052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.437 *533.6308* 533.6308@1.036036 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.6308 *533.6974* 533.6974@1.0182126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.6974 *533.7059* 533.7059@1.0014046 1 9944 1 1 1 5884 1 9545 1 1 1 1 1 1 1 1 15794 1 1 1 1 5208 1 1 1 12537 1 1 1 1 16991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 2317 1 18705 1 1 1 1 1 1 1665 1 1 533.7059 *533.7199* 533.7199@0.99399745 1 1 1 1 1 1 1 1 12076 3610 18553 13535 1 1 1327 1 1 10580 1 11250 1 1 1 1 1 1 1 1 10062 1 1 1 19179 15929 17786 1 18771 13174 1 1 1 1 1 11688 1 1 13908 19873 19834 1 12388 1 1 1 1 1 1 1 1 15880 19204 16846 1 1 1 1 1 35029 1 1 1 1 1 1 1 14839 1 19683 21230 1 1 1 1196 13617 24852 26328 1 1 1 22588 533.7199 *533.7271* 533.7271@0.99731326 1 1 1 1 5166 1 1 1 1 1 1 1 6285 1 1 1 1 1 1 1 1 1 1 1 1 1 15506 1 1 1 1 1 1 1 1 12854 1 1 1 1 1 18350 1 1 1 1 1 1 1 15739 1 1 1 22896 1 21815 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 2663 1 1 1 16025 1 1 1 1 1 1 1 1 1 1 1 10830 1 533.7271 *533.7443* 533.7443@1.0138181 1 1 1 1 1 1 1 1 1 1 1 1 1 2063 1 1 1 1 1 1 1 1372 1 1 1 1 1 5253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 533.7443 *533.7554* 533.7554@1.0255142 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 533.7554 *533.7753* 533.7753@1.0223558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.7753 *533.7815* 533.7815@1.0160373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 2622 1 1 1 1 1 533.7815 *533.8071* 533.8071@1.0093045 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 2266 1 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 1 1 2552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.8071 *533.8275* 533.8275@1.0233922 1 1 1 1 1 1 1 1 1 1342 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 1 1 1 1 1072 1 1 1 1 3447 1 1 1 533.8275 *533.8373* 533.8373@1.0046401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7041 1 1 2158 1 1 1 1 1 5475 1 1 1 1 1 1 1 1 1 1 6387 1 1 1 7835 1 1 3355 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 1146 1 1 1 1 1 1 1 1 1 1 1 1 4923 3109 533.8373 *533.8472* 533.8472@0.9837205 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.8472 *533.8606* 533.8606@1.0058243 3248 5745 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 1 1 1 1 5187 1 1 1 1 1 1 10722 1 1 1 1 1 1 1 1 1 1 1 1487 1 1 1 13220 1 1 1 1 1 1 1 1 1 9237 1 1 1 1 1 1 7229 1 1 1444 1 1 1 1 1 1 1 533.8606 *533.87* 533.87@1.0290179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 533.87 *533.8818* 533.8818@0.9931063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7162 1 1 1 5357 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 1 1 533.8818 *533.8949* 533.8949@1.0147201 1 1 1 1 1 1 1 2999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.8949 *533.9088* 533.9088@1.0005418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9593 1 1 1 1 5062 10737 1 1 1 2931 1 1 1 1 1 1 7110 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 2643 1 1 1 1 1 1 8196 1 533.9088 *533.9147* 533.9147@0.99828196 1 1 1 1 1 1 1 1 1 1 15057 1 1 1 1 1 1 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12803 1 1 1 9771 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 1 533.9147 *533.9165* 533.9165@0.9928722 1 1 1 1 1 1 1 1 8005 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 5492 1 1 1 1 1 1 1 1 6152 1 1 1 1 1 1 8069 10180 1 6095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.9165 *533.9557* 533.9557@1.0204114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1290 1 1 1 1 1 8003 1 1 1 1 1 1 1 533.9557 *533.9716* 533.9716@1.0140396 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8324 1 1 1 1 1 1 2723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.9716 *533.983* 533.983@0.9962489 1 8339 3828 1 1 1 5172 1 1 1 1 8162 1 1 1 1 1 1 1 1 1 1 1 1 1 4672 1 1 1 1 1 1 1 1 1 1 1 1 1 4872 1 1 1 1 1 1 1 1 1 6827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9339 4403 1 1 1 1 533.983 *533.9868* 533.9868@5.3307076 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 533.9868 *533.9978* 533.9978@0.98857814 1 1 1 1 1 6240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6680 1 1 1 1 1 1 1 1 5435 1 1 1 1 1 1 1 1 1 1 1 8835 1 1 1 1 1 1 13176 1 1 1 1 1 1 1 1 1 1 1 1 7451 1 1 1 1 1 1 1 1 1 1 1 533.9978 *534.0112* 534.0112@0.9956214 1 1 1 1 1 1 1 1 4691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2016 1 1 8619 1 1 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 7014 1 4325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10521 1 1 12284 1 1 1 1 1 1 1 1 1 1 534.0112 *534.019* 534.019@1.0031459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6755 1 2525 1 1 1 1 1 1 1 1 1 1760 1 1 1 2706 7310 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.019 *534.0349* 534.0349@0.99045247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4368 1 1 1 1 1 1 1 1 1 1 1 1 1 5477 1 1 5617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13346 1 13962 1 1 1 1 534.0349 *534.0449* 534.0449@0.9953441 1 1 1 2901 1 1 1 1 1 1 8840 1 1 1 1 1 3223 1 1 1 1 1 2113 1 1 3076 1 1 1 1 1 1 1 6722 1 1 1 1 1 1 1 1 6797 1 6450 9922 1 4203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8441 1 1 1 1 1 1 1 1231 1 1 1 1 1 1 1 4772 1 1 1 1 1 534.0449 *534.0551* 534.0551@0.9932855 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6040 1 1 1 1 1 1 1 1 2059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.0551 *534.0644* 534.0644@1.0031862 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4568 1 1 1 1 1 8480 1 1 1 1 1 1 1 1 1 1 1 11539 5485 1 1 1 1 1 1 1 1 1 1 534.0644 *534.0872* 534.0872@1.0070434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1958 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9187 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 9011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4526 1 534.0872 *534.0946* 534.0946@0.9985903 1 1 1 1 1 1 1 1 1 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 3928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6066 1 1 1 1 534.0946 *534.1096* 534.1096@0.9951276 3934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3823 1 1 1 1 5900 1194 1 1 1 1 1 1 1 1 1 1 5558 4387 1 1 5823 1 1524 1 1 1 1 1 1 1 1 1 1 1 3673 3243 1 1 6066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7620 1 1 1 1 1 1 1 1 1 1 1 1 5785 534.1096 *534.1161* 534.1161@0.9993888 1 1 1 1 3121 1 1 1 1 1 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 1 1 1 1 1 1 1 1 7108 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 1 534.1161 *534.1237* 534.1237@1.0224056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 534.1237 *534.1399* 534.1399@1.0155424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.1399 *534.1658* 534.1658@0.98941714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 5957 1 1 1 1 1 23262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6906 1 1 534.1658 *534.1699* 534.1699@1.9442953 1 1 1 1 1 1 1 1 1 1 1 1 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 1116 1066 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1946 2108 1 1 2745 2231 1 1 1 1 2481 2062 1 1 1198 1521 1 1 2366 1793 1 1 1 1 1317 1183 1 1 1527 1723 534.1699 *534.1798* 534.1798@0.99484336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 6886 1 1 4493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.1798 *534.1896* 534.1896@0.99266315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.1896 *534.1994* 534.1994@0.9895258 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 6171 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 534.1994 *534.2127* 534.2127@0.99199647 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.2127 *534.229* 534.229@0.9839117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4690 1 1 1 1 1 1 1 1 1 1 1 1 5736 1 1 1 1 1 1 1 5480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.229 *534.2353* 534.2353@0.9941198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9286 1 1 1 1 1 1 1 1 1 7545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6323 1 1 1 5856 10742 1 1 1 1 534.2353 *534.2486* C29 H43 Cl N2 O S2 1 1 1 3643 3546 420729 1 3159 419641 1 1 1 1 2243 1 1 4010 3860 1 1 1 1 1 1 1 6949 5832 5547 4200 1 1 1 8752 1 3103 2304 7751 4883 1 1796 6813 6411 458547 1 1 1466 1 1 1 1 7318 1 5250 1 6209 7860 1 1 1 5319 3707 3818 1 1 1 1 5633 5739 5114 9561 1 1 1 3570 1 1 8411 7708 1 4379 3449 4701 1 7218 1 6963 7411 417013 1 1 534.2486 *534.2487* C30 H30 N8 O2 493675 507595 386246 380536 419092 3678 446850 445887 2875 420734 274539 273786 401289 398251 419062 415585 431609 5455 509201 506626 594873 594222 372006 377585 334596 338304 473425 474241 389089 402213 404081 409269 517030 512562 336122 333240 492599 498775 402694 405182 405403 408397 3807 461518 338434 337168 551916 548977 510436 504211 408974 407411 419467 421681 341070 342995 513501 510412 404634 403398 572350 570963 519924 483248 606464 612795 579658 580330 617542 622469 465576 453543 505587 508763 533446 520252 631418 623217 477655 471184 471492 463334 378096 375187 590569 583669 422879 8671 437104 443544 534.2487 *534.249* 534.249@1.1211725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.249 *534.2608* 534.2608@0.99272954 1 1 1 1 1 1 1 3699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.2608 *534.2761* 534.2761@0.99101293 1 1 1 1 1 1 1 1 1 1 3506 1 1 1 3234 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2519 6026 1 1 1 1 1 1 1 1 10254 1 1 1 1 1 1 7059 1 1 1 1 1 1 8505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.2761 *534.29* 534.29@0.9865904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.29 *534.2917* 534.2917@0.998419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4578 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 1 1 1 1 534.2917 *534.3525* 534.3525@6.5329156 1 1 1624 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.3525 *534.3817* 534.3817@1.2095286 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1524 1 1 1 1 1 1 1 1 1 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 1 534.3817 *534.3856* 534.3856@4.207763 1 1 1 1 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.3856 *534.3921* C28 H51 Cl N8 + 3.9087236 1678 3666 1 1208 6351 2447 5717 1 1277 2120 3514 3355 2688 8798 4031 1 1899 1 2184 3629 1985 2284 1 3582 2971 5175 2424 1535 1580 4115 2017 1426 2498 1855 3055 1370 1 1714 4394 1 1335 2339 3293 1501 6387 4135 1903 3227 1 4300 3583 5368 1 8161 3379 3322 3984 2805 1 1976 1 1467 1 1012 1 1 1933 1 1524 1 1 1 3852 1 1 1 2167 3346 1 1 3515 1 1056 1 1650 1 1 1 1 1 534.3921 *534.3927* 534.3927@3.8297386 1268 1 1 1 1 1 1 1 1 1 1 1 1 2903 1 1 1 1 1 1 1491 1 1 1 1 1 1115 1191 1 1 1 3375 1 1 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 2529 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 1858 2881 1 1 2023 1 1 1 1 1 1 1 1 1 534.3927 *534.3934* C28 H51 Cl N8 + 4.021167 3548 1 1 1950 1507 1 4257 1 3373 1 1332 1 1 3598 1639 1 2625 1 2231 2077 2070 1182 1 1 1 1241 4893 1614 1716 1867 1 1609 1 1 1 1 1 1 1574 1062 2486 1 1 3272 3862 1 1 1 1 1542 3858 6777 1 1638 2810 3215 1266 2419 1 4543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3644 5239 1 1 1839 1 1 1 1 1714 1 1 1 1 534.3934 *534.3941* C28 H51 Cl N8 5236 9306 2989 3129 7285 3088 3900 2456 2614 5593 3673 5163 1884 10377 5254 1 5403 1 2999 3008 4488 4683 4396 6810 5239 6469 3289 5300 3397 3220 5225 4080 5649 5836 1868 6918 1364 5615 3167 2799 4072 6879 5244 8170 4161 11122 10206 1876 1 2305 5757 3001 6820 5660 5804 6185 5125 2975 6803 1014 1 5890 5231 2153 1 4348 3012 1 3593 2196 2757 1 2892 1274 1039 1 3932 2041 1 3203 7062 4218 2301 1 2479 5395 1 2245 1814 3322 534.3941 *534.3975* 534.3975@4.0513797 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 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.3975 *534.3984* 534.3984@1.0758544 1 1 1 1 1 1 4299 5432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.3984 *534.5095* 534.5095@1.1254609 1 1 1 1 1 1 1 1 1 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 1 534.5095 *534.5187* 534.5187@1.1213154 1 1 1179 1186 2621 1 1 1 1 1 1 1 1 1 1196 1 1 1 1 3728 1 1 1 2220 1 1130 1 1660 1 1 1165 1 1 1 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1782 1891 1 1 1 1 1 1310 1 1 1847 1 5106 1 1 3570 3903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2184 1 2451 1 1 534.5187 *534.5344* 534.5344@1.118414 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 2779 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 3094 1 1 1 1 1 1 1 1 1 1 1 1 1 534.5344 *534.5745* 534.5745@1.1113365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1512 1478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.5745 *534.5815* 534.5815@1.119939 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 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.5815 *534.6007* 534.6007@6.5359173 1 1 1580 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.6007 *534.6068* 534.6068@1.1226856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.6068 *534.6177* 534.6177@1.014595 1671 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.6177 *534.6291* 534.6291@1.027419 1 1 1 1 2634 1 1 1 1 3063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5424 2037 1 1 1 1 1 1213 1 1 1 1058 1 1244 1 1 1091 1 1 1 1 1940 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 1283 534.6291 *534.6439* 534.6439@1.0311117 1 1 3368 1841 1 1 1 1 1099 1 1 1 1 1 1 1 3332 1 1 1 1 1 1 1 1 1 4178 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5729 1 1 1 1 1 1 1 1 1 4519 1 1 1 1 1 1 1 1 1 2697 1 1 1 1 1 1 1 1500 1053 1 1 1 1 534.6439 *534.649* 534.649@1.1167089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.649 *534.6745* 534.6745@1.116803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 1 1 2146 1396 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1682 1174 1 1 1 1 1 1 1 1 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 534.6745 *534.6954* 534.6954@0.9960671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.6954 *534.7105* 534.7105@1.0073987 1 1 1 1 1 1 1 1 1 1 1 1 2863 2305 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 2032 1 1 2074 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 1 1 1 1 1 1 1 1 1 534.7105 *534.7148* 534.7148@1.030438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3776 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 1054 1 1 1 1 1 3874 1000 1 1 1 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 9518 1 1 1 534.7148 *534.7251* 534.7251@1.0229194 1 1 1960 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5968 1 1 1 1 1 1 1 1 1 1 2296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.7251 *534.7342* 534.7342@1.0219573 1 3834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6061 1 1 1 1 1 1 1 1 1 1 1 1 3996 1 1 1 1 1 1 1 1 1 534.7342 *534.7422* 534.7422@1.1176741 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.7422 *534.7504* 534.7504@0.99296135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4119 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 1 1 4628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7923 1 1 1 1 1 1 1 1 534.7504 *534.7594* 534.7594@0.9938863 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.7594 *534.7713* 534.7713@1.0262221 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 1 1 1 1 1 1 1 1 1968 1 3739 1024 1214 1 1 1 1 1 1 1 1 1092 1 1 1 1 1 1 1 1 1 6617 3128 1 1 1 1 1 3469 1 1 1 6980 1 1 1579 1 1 1 1 1 1 1 1 6327 1 1 1 1 1902 1 1 1 3493 1 534.7713 *534.7867* 534.7867@0.99243665 1 1 1 1 1 1 1 1 3114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4864 1 1 534.7867 *534.7942* 534.7942@1.0044097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.7942 *534.8044* 534.8044@0.9966981 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1 2709 1 1 1 1 1 1 1 1 4742 1 4793 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 4764 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 8152 1 1 1 1 1 534.8044 *534.8165* 534.8165@6.2053604 1 1 1594 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 1 1 1 1 1 1 1 1 1 1099 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1508 1466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.8165 *534.8248* 534.8248@1.0218403 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 1 1 1 1 1 4289 1 1000 1 1 1 1 7755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.8248 *534.8354* 534.8354@0.9943772 1 1 1 1 1 2351 1581 1 1 1 4262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4500 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4650 1 1 1 1 1 1 1 1 1 1 1 1 2504 1 1 1 1 1 1 1 1 1 1 9554 1 1 1 1 1 1 4210 6481 1 1 1 1 1 1 1 1 1954 1 1 1 5241 534.8354 *534.8455* 534.8455@1.0012311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 534.8455 *534.8503* 534.8503@6.535927 1 1 1195 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.8503 *534.8619* 534.8619@1.0226299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 1 1 1 1 2029 1 1 1 1 1 1418 1 1 1 1215 1 1 1 1 1 1 3859 1287 1 1 1 1 1358 1 1 1 1 3468 2495 4350 8783 1 1 1 1 1 1 7745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6492 1 1 1 1 1 1 1 534.8619 *534.866* 534.866@0.99752104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4358 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.866 *534.8788* 534.8788@1.0149937 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 9257 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 7945 1 1 1 1 5624 1 1 1 1 534.8788 *534.888* 534.888@0.9931476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 534.888 *534.8925* 534.8925@1.0155517 1 1 1 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 5280 1 1 1 1 1 1 1 1 1 1 1 2678 1 1 1 1 1069 1 1 1 1 1 8387 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 6313 534.8925 *534.8947* 534.8947@4.1429205 1 1 1 1 1 1 1 1 1 1 1 1 1 4648 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.8947 *534.8951* 534.8951@3.9681234 1 1 1 1 1 1 1 1 1 1 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 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.8951 *534.8962* 534.8962@4.0909123 2132 1392 1 1420 1 1 1 1 1 1 1369 1844 1 1029 1 1 2020 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 4750 1 1715 1 1 1372 4811 1 1772 3029 4301 4225 2255 1 1 1400 2037 1 1 1233 1720 1 1 3519 1 1 1 1 1 1 1 1352 2417 1 1 1 1 1894 2829 1 1708 1 1970 2616 1 1 1 3618 1 2850 1 1 534.8962 *534.8962* 534.8962@4.022119 4472 4269 1 1 1 1 1 1 1 1 1 1 1 1582 1 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 1348 1 1 1 1 1 1 5145 2264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1623 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 534.8962 *534.9059* 534.9059@1.0061219 1 2788 1 1 1 1 1 1 1 1 1 3353 1 1 1 1 1 1 1 2095 1 1 1 1 3772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6622 1 1 1 1 1 1 1 1 1464 1 1 1 1 1 1 3678 1 1 1 1 1 1 1 6025 1 1 1 1 1 5674 1 1 1 1 1 1163 1 1 1 1 1 534.9059 *534.919* 534.919@0.98947954 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 1 1 1 1 1 3409 1 1 1 1 1 1 1 3403 1 1 1 1 1 1 1 4424 1 1 6041 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 1 534.919 *534.9373* 534.9373@0.9969607 1 1 1 1 1 3767 2001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4389 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 1 534.9373 *534.9472* 534.9472@0.9919632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1 1 1 1 1 1 2076 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 3661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.9472 *534.955* 534.955@0.9952954 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3786 1 1 1 1 534.955 *534.9631* 534.9631@0.994795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3550 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 3080 1 1 1 1 1 1 1 1 1 1 1 1911 1 4511 1 534.9631 *534.9674* 534.9674@0.99527377 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5105 1 1 1 1 1 1 1 1 1 1130 1 1 1 1 1 1 1 1 1 4229 1 1 1 10530 1 1 1 1 1 1 1 1 3843 1 1 1 1 1 1 1 1 1 1 1 534.9674 *534.9869* 534.9869@0.99142116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5672 1 1 1 1 1 1 1 1 1 1 1 1 1 3773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 534.9869 *534.9995* 534.9995@1.0010027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3736 1 1 1 1 1 1 1 1 534.9995 *535.0058* 535.0058@0.99385935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6359 1 1 1 1 1 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 7512 1 1 1 1 1 1 1 1 1 5287 1 1 1 1 1 1 1 535.0058 *535.0153* 535.0153@1.014292 1 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 1245 1 1 1 4005 1 1 1 1 1 1 1 1 1 1 1 1 1 4443 1 1 1 1 1 1 1 1 1 3422 1266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.0153 *535.04* 535.04@0.98972875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2604 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 8110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.04 *535.0499* 535.0499@0.99816746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 3210 1 1 1 5248 1 1 1 1 1 1 1 1 1 1 1 1 535.0499 *535.1607* C31 H26 Cl N5 S 28790 1 29106 32785 25366 24473 23616 23344 27611 20299 27504 28847 20875 20904 1 1 23871 25263 20698 18615 17528 19487 16572 14814 20397 19490 28444 18391 18599 16458 25381 28470 29492 26157 21014 21881 21580 18782 33371 28237 25085 24179 22120 19458 19483 16130 17372 20144 23010 22898 20118 19724 19167 17693 18643 19317 1 21610 22964 19827 1 27307 37140 36360 30653 30590 39257 39475 35646 35086 22852 23127 1 20814 19473 20752 25680 1 27414 23667 17670 18264 22488 22562 25591 26107 31482 29291 27004 26852 535.1607 *535.2508* 535.2508@1.2341641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 535.2508 *535.255* 535.255@1.237114 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 2094 1 1 1 1 1476 1 1 1 2821 1 1 1 1 1 1 1 1 1 1 1 1 1843 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 1 1 1 1 1 1271 1 1 1 1 1 1 1 1 1 1 1 535.255 *535.2764* 535.2764@1.0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 535.2764 *535.2854* 535.2854@0.9897722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 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 1 535.2854 *535.2921* 535.2921@1.0139524 1 1 1 1 1 1 1 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.2921 *535.3099* 535.3099@1.0011576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.3099 *535.3583* 535.3583@5.2914596 1 1 8331 9305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2197 2113 1 1 1 1 2333 2864 1 1 1 1 1 1 1 1 1 1 1 1 1847 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2918 2795 1819 2168 1 1 1 1 1664 1562 1 1 1 1 1 1 1 1 1 1 1 1 535.3583 *535.3859* 535.3859@4.1786857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1625 1 1 3732 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 1 6145 2833 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 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 1 535.3859 *535.3955* 535.3955@1.0781816 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.3955 *535.437* 535.437@1.0419937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 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 2574 1 1 1 1 1 1 1 1 535.437 *535.5309* 535.5309@1.1210808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1495 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 535.5309 *535.557* 535.557@1.1296728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 535.557 *535.5855* 535.5855@1.1218859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.5855 *535.6032* 535.6032@0.999986 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 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 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 535.6032 *535.6156* 535.6156@0.98963434 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 2936 1 1714 1 1 1 1 1 1 2112 1 1 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 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 1 1 1 1 1 1 1 535.6156 *535.6255* 535.6255@0.9949346 1 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 1733 1 1 1 1 1 1 1 1 1 1 1 1 3818 1 1 1 1 1 1 1 1 1 1 2288 1 1 1638 1 1 1 1 1 1 1 1 2868 1 1 1 1 1 1 1 1 1 535.6255 *535.6436* 535.6436@0.9902434 1 1 1 1 1 1835 1 1 1493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 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 1877 1 1 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 1 1 1 1 1 1 1 535.6436 *535.6539* 535.6539@1.0021336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.6539 *535.6672* 535.6672@0.9936167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.6672 *535.6845* 535.6845@1.0218847 1 1 1 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 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 1129 1 1 1 1186 1 1 1 1 1 1 3468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.6845 *535.6912* 535.6912@5.2915454 1 1 5740 5788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1592 1885 1 1 1 1 2226 1808 1 1 1 1 1 1 1 1 1 1 1 1 1303 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2433 2196 1994 1574 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 1 1 1 1 535.6912 *535.6997* 535.6997@0.9932228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.6997 *535.71* 535.71@0.99235183 1 1 1 1 1 1 1 1 1 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 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 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.71 *535.7294* 535.7294@1.0130649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.7294 *535.7357* 535.7357@0.9950476 1 1 1 1 1 1202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.7357 *535.7492* 535.7492@0.9915478 1 1 1 1 1 1 1 1 1 1450 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2112 1 1 2566 1 1 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 1 535.7492 *535.7662* 535.7662@1.0006032 1 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1090 1176 1 1 1 1 1 1 1 1 1 1 1 1 535.7662 *535.7868* 535.7868@0.98870784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1813 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 2379 1 535.7868 *535.8012* 535.8012@0.99638385 1 1 1 1 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 1889 1 1 1570 1 1 1 1 1487 1 1 1 1 1 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 1 1 1 1 535.8012 *535.8134* 535.8134@0.9918445 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.8134 *535.8205* 535.8205@0.98839396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1483 1 1 1 1 1 1 1 1 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 535.8205 *535.8331* 535.8331@1.0034292 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 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 2156 1 1 1 1 1 1 1 1 1 1 1 1 535.8331 *535.8441* 535.8441@0.98945314 1 1 1 1 1 1 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 1713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 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 1 1 1 1 1 1 1481 1 1 1 535.8441 *535.857* 535.857@0.99092036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.857 *535.8753* 535.8753@0.99146175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2307 1 1 1 1 1 1 535.8753 *535.8865* 535.8865@4.194096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1544 1 1 1 1 2630 2246 1 2814 1 1 1 1 1 1 1 1 1 1 1 1 2666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.8865 *535.8878* 535.8878@0.98610103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.8878 *535.8987* 535.8987@0.99165094 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1692 1 1 1 1 535.8987 *535.9107* 535.9107@0.98979074 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 535.9107 *535.9218* 535.9218@0.9882089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1718 1 1 1 1 2172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.9218 *535.9261* 535.9261@0.99057895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1648 1 1 1 1 1978 1 1 1 1 1 1 535.9261 *535.9406* 535.9406@0.9937362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2182 1 1 1 1 1 1 1 1 535.9406 *535.9594* 535.9594@0.99063873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1538 1 1 1 1 1 1 1 1 1 1 1 1 1 535.9594 *535.9707* 535.9707@0.99174005 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 2188 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.9707 *535.981* 535.981@0.98363215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 535.981 *535.9985* 535.9985@0.9885997 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 535.9985 *536.0186* 536.0186@0.99386007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1904 1 1 1 1 2847 1 1 1456 1 1 1 1 1 1547 1 1 1 1 1 1 1 1 1 536.0186 *536.0244* 536.0244@5.299015 1 1 3283 3705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.0244 *536.0269* 536.0269@0.99122596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 536.0269 *536.1036* 536.1036@1.9416815 1 1 1 1 1 1 1 1 1 1 1 1 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 1117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1389 1230 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1 1 1007 1 1 1 1224 1 1 1 1 1 536.1036 *536.123* 536.123@0.8103913 1 1 1 1 1 1 1 1 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 4517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.123 *536.1634* 536.1634@1.0003017 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7283 1 1 1 1 1 1 1 1 1 1 1 5742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.1634 *536.1708* C20 H32 N4 O9 S2 1 1 1691 1992 1 1513 1 1 1904 2249 1914 1773 9998 1589 1 1 1585 1 1 1 1 1 1228 1 1 1 1452 1 1 1240 1 1 1919 2321 2259 1 2022 2043 2052 1936 3241 3049 1656 1662 1 1 1 1 2040 1508 1 1 2420 2269 2731 2692 1 2587 2922 1 1318 1 1 1689 1 1 1 1502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 536.1708 *536.1797* 536.1797@2.8925767 1 1 1 1 1985 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 1927 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.1797 *536.2023* 536.2023@2.8208559 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 1 1 1 1 1 1 1 1 1 1 1 1 536.2023 *536.2052* 536.2052@1.4371036 1 2148 1 1 1 1 3697 3598 4878 4441 1596 1 1 3453 3777 3876 2182 1496 2575 2562 1 1 2764 2750 1984 1 1 2367 2133 1 4020 3447 1 1 1534 1829 2610 2838 2661 2731 1 1 1 1 1 1 4698 4451 1 1 2163 2140 1 6393 1 1 1 1 2317 2147 1 1 1 1 1 1 1 1 1816 1 1 1 2357 2164 1 1997 2407 2365 1 1 1 1597 1 1 1 1 1 1 1 1 536.2052 *536.2551* 536.2551@1.1477225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.2551 *536.3848* 536.3848@1.985333 2380 2051 2648 1 1 1 2577 1757 1 1 1 2175 1 1 2344 1 1 1 1478 1 1519 1 1 1 1993 1 1994 2208 1 1 1 1 1 1 1 1 1 1 1 1 1 3044 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 1 1951 1 1 1 1 1634 1 1 2601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3848 *536.3855* 536.3855@3.0647225 1 1 1 1 1 1 1 1 1569 1 1 1 1 1 1 1 1 1 1 3046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3855 *536.386* C20 H48 N12 O5 10343 1 1 1 6558 5560 7382 7177 6223 6502 1 34227 3516 1 1 1 224115 165786 6626 1 6719 4198 84004 222333 11810 3700 4704 1 7360 9615 7665 6147 12340 11396 87736 9859 6822 7224 189536 14841 7421 7421 9175 13466 6747 127579 1 11457 11617 9930 12898 15437 12234 10904 12751 1 24783 21738 8626 8130 114908 11179 128231 10689 123505 13197 179407 192304 18347 17411 22470 25735 17581 154348 16054 730464 1 15992 11192 11883 110156 13929 8516 4087 18817 23006 1 194548 18823 16354 536.386 *536.386* 536.386@0.68092877 1 1 1 1 1 1 1656 1 1 1 3090 1 1 1 1 1 1 3509 1 1889 1 1 1 1 1 1 1 3994 1134 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.386 *536.3862* 536.3862@0.620928 1 1 1 1 1 1 5250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3862 *536.3863* 536.3863@1.5258201 1 1 1 1 1182 1 1 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1628 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3863 *536.3866* 536.3866@4.073667 1 1 1 1 1801 1 1 1 1 1 1 1 1916 1 1 1 1849 1 1 1 2309 1 1 1 1 1 2121 1248 1 1 1 1 1 1 1 1 1 1 1 1 1 4099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3866 *536.3866* 536.3866@1.1771827 1 1 1 1 1 1920 1 1 1 1 1 4989 1 1 1 1 15609 15505 1 1 1 1 7653 1 1 1 1 1 1 1 1 1 1 1 8991 1 1 1 11353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11775 1 1 1 1 1268 19203 22346 1 1 1 1 1 1 1 1 1 1 1 1 14028 1 1 1 1 1 1 20380 1 1 536.3866 *536.3871* C28 H60 N2 O S3 1 1 1 1 3821 2931 6014 5127 4157 1 9062 3490 2903 1 1 1 8023 5209 1 1 1 1 6701 6810 2807 6728 4706 6998 7428 5002 1 7242 10787 1 3214 1 7683 9190 8201 1 6985 8882 9708 1 5228 1 1722 1 1 1 8192 10121 1 11362 9271 10380 1 9221 5512 5450 11452 10358 16423 1 13169 8628 14287 15382 10405 1 13554 15756 1 18630 1 15571 15044 10512 1 6781 6889 1 13213 15408 10612 17058 1 12021 1 1 536.3871 *536.3875* 536.3875@1.4805113 1 1 1 1 2819 1 1 1 2260 1244 4254 4268 4296 1 1 1 4915 1 1 1 1 1 1 1 3527 1472 1 5925 1 2473 1 4569 1 1 3466 1 4972 1 2453 1 1 1 3950 1 1 1 1384 1858 1 1 1 1 1 1 1 1 1 1 2334 3080 1 1 1 1 1 1712 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3875 *536.3877* 536.3877@1.6495883 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3877 *536.3879* 536.3879@3.7745113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.3879 *536.3884* 536.3884@3.8557012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 536.3884 *536.5145* 536.5145@1.1170242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.5145 *536.5225* 536.5225@1.113801 1 1 1 1 1 1 1061 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1157 1 1 1 1016 1 1 1 2024 1539 1 1014 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1339 2372 1 1 1383 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.5225 *536.6538* 536.6538@0.9844543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5763 1 1 1 1 536.6538 *536.6629* 536.6629@0.99237067 4681 4828 1814 3533 5277 4826 4242 4730 2936 1 1 6972 1 2223 1711 1995 1922 1 1 1 1 1643 4987 3491 4935 5043 5060 1 4394 1 1 1 8426 9232 1 9675 3421 1 7252 1 5058 1 1 2879 2880 1 1 6760 4956 8449 5604 1 1 1 9270 6192 10696 1913 5404 6175 1 1 4363 7964 8482 7904 1 7634 8142 1719 2111 1 2491 5998 1781 6770 7003 8904 2770 1 6900 3876 1 6703 9553 4269 8332 8615 1 1 536.6629 *536.6702* 536.6702@7.487952 1 1 5788 6189 1 1 1 1 1 1 1594 1739 1281 1 1 1 1 1 1 1 1 1 1 1 3213 3139 1 1 1 1 3106 2658 1 1 1 1 1886 1747 1 1 1 1 1693 1769 3113 3200 1 1 1 1 1 1 1 1 1 1 1408 1 1 1 1 1 1 1 1 1 1 1 3388 3246 2102 2212 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 1 1 536.6702 *536.6707* 536.6707@0.99946827 1 1 1 1 1 1 1 1 1 4907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2898 1 2116 1 1 6706 1 1 7756 1 1 1 5222 1 1027 1400 1 1 1 1 1 1 1 9732 1 1 1 1 9087 1 1 1 1 1 1 1 1 1 2209 1 6528 1 10992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2306 1 6265 536.6707 *536.6886* 536.6886@0.9953954 1 1 1 1 1 1 1 1 1 1 1 1 1262 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5322 1 536.6886 *536.6978* 536.6978@1.0066205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.6978 *536.7075* 536.7075@0.9838464 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.7075 *536.7172* 536.7172@1.0123616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1360 1 1 1 1 1 1 5884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.7172 *536.7236* 536.7236@0.9959081 1 1 1 1 1 1 1 1 1 1 1 1 1 2819 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3749 1 3789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5334 1 1822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.7236 *536.7333* 536.7333@1.0200636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.7333 *536.7417* 536.7417@0.9904652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2486 1 1 1 1 1 2848 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.7417 *536.7498* 536.7498@1.0050286 1 1 1 1 1 1 1 1 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 1 536.7498 *536.7583* 536.7583@0.9954486 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 2268 1 1 1 6000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3110 1 1 1 1 1 1 1 1 1 5862 1 1 1 1 536.7583 *536.7668* 536.7668@1.0005139 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 1491 1 1 1 1 1 1 1 1077 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.7668 *536.779* 536.779@0.98863685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 536.779 *536.7947* 536.7947@0.982316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.7947 *536.7971* 536.7971@0.9927385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1949 1 1 1560 1 1 2393 1 1 1 1 1 1 1 2865 1 1 1 1206 1 1 1 1 3089 1 1 2267 1 1 1 1 1 1 1 4864 5080 1 1 3232 1 1 1 1 1 1 1 1 1 1 3085 1 1 7015 1 1 4091 1 1 1 1 3388 1 1 1672 1 1 4317 5476 1 1 1 1 1 1 536.7971 *536.8121* 536.8121@0.99866456 1 1 1 1 1 2395 1 1223 1 1 2244 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 5534 1 1 1 1820 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2931 1 1 1 1 1 1 1 1 1 7215 1 1 1 1 1 1 1 3877 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 536.8121 *536.8215* 536.8215@0.9844568 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.8215 *536.8464* 536.8464@1.0061864 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 536.8464 *536.8527* 536.8527@0.9971937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 536.8527 *536.8658* 536.8658@0.9934601 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 1 1 3059 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 2400 1 1 1 1 1 1 1 1 1 1 3861 1 1 1 1 1 1 2859 1 1 1 1 1 1 1 1 1 1 1561 1 1 1856 1 4188 1 1 2294 1 1 1 1 1 1 1 1 3099 1 536.8658 *536.8738* 536.8738@1.0100284 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.8738 *536.8758* 536.8758@0.9850484 2039 1 1 1921 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 5361 1984 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 7452 1 1 1 1 2936 1 1 1 1 1 6725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 1 1 1 536.8758 *536.8891* 536.8891@0.9845551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2899 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 1476 1 1 1 1 1 1 1 1 1 1 3117 1 1 1 1 536.8891 *536.8927* 536.8927@0.98924273 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2285 1 1 1 1 1 1 1 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 1 536.8927 *536.9002* 536.9002@0.9894775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4121 1 1 1 1 2937 1 1 1 1 1 1 1 1 1 1 1 1 1 4754 1 1 1 1 1 1 1 7096 1 1 1 1 1 1 2791 1 1 2303 1 1 1 1 1 2036 1 1 536.9002 *536.9181* 536.9181@0.98899794 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 536.9181 *536.9221* 536.9221@0.9921191 1 1 1 1 1 1 1 1 1635 1 1 1 1 1 1 1649 1403 1 1 1 1 1 1 2413 1 1 1 1 1 1 3256 1116 1 1 1 1 1721 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.9221 *536.9448* 536.9448@0.9945378 1 1 1 1 1 1 1949 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3005 1 1 1 1 3507 1 1 1 1 1 1 1 2699 1 1 1 4584 1 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.9448 *536.9479* 536.9479@1.0011358 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 1916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1 2660 6119 1 1 1 1 1 1194 1 1 2016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.9479 *536.9638* 536.9638@1.0028247 1 1 1 1 1081 1 1 1 1 1 2840 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2047 1 1 1 1 1 1 1 1 1 1 3219 1 1 1 1 1 1 1 1 1 1 1 1 1 1999 1 1 1 1 1 1116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.9638 *536.971* 536.971@0.99121624 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5019 1 1 1 1 1 1 1 1 1 6115 1 1 1 1 1 1 1 1 536.971 *536.9795* 536.9795@0.98671514 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.9795 *536.9898* 536.9898@0.99556017 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 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 1292 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2341 1 1 1 1 1 5082 1 1 1 1 1 1 1406 1 1 536.9898 *536.9985* 536.9985@0.98398566 1 1 1 1 1 1449 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 1 1 1 1 1 1 1 1 1 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.9985 *537.0045* 537.0045@7.4865093 1 1 4491 4510 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 2445 2923 1 1 1 1 2139 2196 1 1 1 1 1090 1290 1 1 1 1 1508 1470 2570 2445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2626 2798 1767 1 1 1 1 1 1614 1649 1 1 1 1 1 1 1 1 1 1 1 1 537.0045 *537.0099* 537.0099@0.9926953 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2989 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 3536 1 1 1 1 1 1 1 1 1 1896 1 2295 4025 2327 1 1 1 1 1 1 1 1 1 1 537.0099 *537.0269* 537.0269@0.9842676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 537.0269 *537.0313* 537.0313@0.98760146 1 1 1 1 1 1 1 1461 1 1 2047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1646 1 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 3634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.0313 *537.1576* 537.1576@0.9965794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11503 1 1 1 10658 1 1 1 1 1 1 1 1 1 1 1 9968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.1576 *537.3448* 537.3448@7.4833407 1 1 1991 1899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.3448 *537.3625* 537.3625@1.15455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.3625 *537.3904* 537.3904@1.2030144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1411 1 1 2574 3796 1 1 1 1 1 1 1 1 1 1 1 1 2540 1 1 1 1 3044 1 1 1 1 1 2380 4653 3949 1 1 1 1 1 1 537.3904 *537.5907* 537.5907@1.0069094 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1935 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4994 1 1 1 1 1 1 1 1 1 1 1 1084 1 1 1 1 1 1 1 1 537.5907 *537.6591* 537.6591@0.9820113 1 1 1 1 1 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 1 537.6591 *537.6715* 537.6715@0.9866382 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4420 1 1 1 1 1 1 1 1 1 1 1 537.6715 *537.6872* 537.6872@0.98572433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1544 2563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.6872 *537.697* 537.697@0.9996587 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 1 1 1 1 1 1 1 2816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.697 *537.7081* 537.7081@0.9912838 1307 1 1 1 1 1 1 1 1126 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.7081 *537.7181* 537.7181@0.99564266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 537.7181 *537.7254* 537.7254@0.987269 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2006 1 1 1 1 1 1 1 1 1 1 1 1897 3653 2727 1728 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 1 537.7254 *537.7373* 537.7373@0.984675 1 1 1 1 1 1 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 3249 1 1 1 1 2995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.7373 *537.7512* 537.7512@0.9896359 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3473 1 3836 1 1 1 1 1 1 1 1 1 1 537.7512 *537.7605* 537.7605@0.997495 1 1 1 1 1 1 1 1 1 1 1 1 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 2202 1 1 1 1 2712 1 1 1 1 1 2464 1 1259 4365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.7605 *537.7765* 537.7765@0.99287444 1 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3185 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 3087 1 1 1 1 1 1 1 1 3145 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.7765 *537.7903* 537.7903@0.9955495 1 1 1 1 1 1 1 1 1 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1 1 1 1 1 1 1 1 1 1 537.7903 *537.7994* 537.7994@0.9888701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1 1 1 1 2208 1 1 1 537.7994 *537.8097* 537.8097@0.9880976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 1 1 1 1 1 1 1 1481 1 1 1 1 2496 1 1 2201 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 1810 1 1 1 1 1 1 1 1 1 537.8097 *537.8185* 537.8185@1.0191523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.8185 *537.8213* 537.8213@0.9881294 1 1 1 1 1 1 1 1 1 1 1139 1 1 1 1 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 1322 1 2339 1 1 1 1 1 1 2591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1793 1 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2457 537.8213 *537.8355* 537.8355@0.98725295 1 1981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 537.8355 *537.8466* 537.8466@0.9948202 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1234 3072 1 1 1 1 1 1 1 1 1 1 3558 1 1 1 1 537.8466 *537.8583* 537.8583@0.9868948 1 1 1 1 1 1 1 1 1 1 1 1 1 1077 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 1 1 1 1 1 1 1 1 1 1 1 1756 1 1 1 1 2434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2369 1 1 1 1 1 1 1 1 1 1 1 1 537.8583 *537.8731* 537.8731@0.996268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2662 1 1 1 1 1 1 1 1 1 1 2549 1 1 1 1 1 1 1 1077 1 1 1 1 1 1 1 1 3097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2043 1 1 1 1 1 1481 537.8731 *537.8876* 537.8876@0.99118626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3054 1 2765 1 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 1148 1 1 1 1 1 1 1 1 537.8876 *537.8975* 537.8975@0.99585944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 537.8975 *537.9056* 537.9056@0.9876049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 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 2318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 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 1 537.9056 *537.9185* 537.9185@0.9871317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2929 1 1 1 1 1 1 1475 1 1 1 1 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 1 1 1 2557 1 1 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 537.9185 *537.9313* 537.9313@0.98927003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.9313 *537.9577* 537.9577@0.98809433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1218 1 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2020 1 1 537.9577 *537.9721* 537.9721@0.994278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2397 1 1923 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 1508 1 1 1 1 1 1 1 1 1 1 1 1 1 537.9721 *537.983* 537.983@0.99238193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.983 *537.9913* 537.9913@0.99264365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1507 1 1848 1 1 1 1 1 537.9913 *538.0156* 538.0156@0.99049777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 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 2266 1 1 1 1 1 1 1 1 3137 4629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.0156 *538.0185* 538.0185@0.9877923 1965 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 1993 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 2349 1 1 1 538.0185 *538.0372* 538.0372@0.9921243 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 538.0372 *538.0527* 538.0527@0.9861243 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 538.0527 *538.0984* C18 H14 N14 O5 S 1 1 1202 1283 1 1 1 1189 1 1 1353 1587 1035 1 1215 1 1322 1223 1 1 1 1 1 1 1065 1 1 1038 1023 1 1171 1108 1022 1 1 1113 1 1 1097 1 1043 1636 1 1 1 1 1 1 1 1 1184 1264 1240 1161 1143 1 1135 1182 1 1 1633 1477 1306 1275 2566 2107 1 1041 1389 1 1579 1336 1259 1359 1817 1248 1352 2343 1 1 1362 1 1 1826 1 1338 2392 2494 1214 1123 538.0984 *538.0985* 538.0985@1.0693053 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.0985 *538.1457* 538.1457@0.9906317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.1457 *538.1573* C32 H30 N2 S3 3333 3852 4091 4690 1 3791 3726 3215 3866 2272 5030 4431 2790 2904 2542 1 3208 3474 2671 3430 2706 2820 2081 1 2976 3443 1 3173 1 2149 4045 5022 5435 1 4799 3611 3141 3484 4383 4841 4032 1 1 3360 3300 1 1 3635 4960 3785 1 1 2718 1 2837 1 1 1 4340 3995 1 4297 7007 4886 6150 6106 7479 7412 6215 4990 5290 3172 1 4267 4075 3139 4733 4362 4812 3896 1 2021 3197 4039 1 4621 5327 5839 4171 4748 538.1573 *538.1654* 538.1654@0.99048615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1 1 1 1 1 2519 3962 1 1 1 2893 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 1 1 1 1 1 1 1 1 3198 1 1 1 1 1 1 1 1 1 538.1654 *538.2448* 538.2448@0.9899706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.2448 *538.2534* 538.2534@0.9926754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 538.2534 *538.3583* 538.3583@1.1157694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 538.3583 *538.3631* 538.3631@4.1603084 1 1 3376 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 538.3631 *538.3915* 538.3915@1.0503577 1 1 1 1 1 1 1 1 1 1 1 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 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 1 538.3915 *538.5717* 538.5717@0.9846631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.5717 *538.5863* 538.5863@0.9917677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 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 1245 1 1140 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 1 538.5863 *538.5977* 538.5977@1.0013636 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 538.5977 *538.6212* 538.6212@0.9935063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.6212 *538.6452* 538.6452@0.9899762 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.6452 *538.6611* 538.6611@0.98397404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 538.6611 *538.6703* 538.6703@0.99501306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 538.6703 *538.6807* 538.6807@0.99104816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1501 1 1 1 2938 1 1 1 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.6807 *538.7056* 538.7056@0.99149626 1 1 1 1 1 1 1 1 1 1 2056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 1 1030 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 1458 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 538.7056 *538.737* 538.737@0.9889437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 538.737 *538.7674* 538.7674@0.9859457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1100 1 1 1 1 1 1 1 1 1 538.7674 *538.7916* 538.7916@0.9936757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1849 1 1 1 1 1427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.7916 *538.801* 538.801@0.98509467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1 1 1 1 1 1 1 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.801 *538.8346* 538.8346@0.9924119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1771 1 1 1 1 1 1 1 1 1 1 1 1 538.8346 *538.8611* 538.8611@0.9909095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.8611 *538.8714* 538.8714@0.99240506 1 1 1 1 1 1 1 1 1 1 1729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 538.8714 *538.8907* 538.8907@0.98617613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 538.8907 *538.9213* 538.9213@0.98662424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 538.9213 *538.9553* 538.9553@0.9877696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.9553 *538.9561* 538.9561@0.9889055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1833 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 1 538.9561 *538.9948* 538.9948@1.006128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.9948 *539.0113* 539.0113@0.9901509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 539.0113 *539.0382* 539.0382@0.9867502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.0382 *539.1349* 539.1349@0.9976422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 539.1349 *539.1407* 539.1407@0.9932449 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 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 1 539.1407 *539.1575* 539.1575@0.99196416 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.1575 *539.3218* 539.3218@7.288755 1 1 1112 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 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1879 1671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.3218 *539.4136* 539.4136@1.0744984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.4136 *539.4244* 539.4244@1.1341668 1 1 1 1 1501 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 2123 1 1 1 1 1591 1 1 1 1 1 1 1 1 1 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 2191 1314 1 1 1 1 1 1133 1 1 539.4244 *539.4371* 539.4371@1.2062746 5629 1 1788 2587 1 1 1 1 3579 3173 1 1 1 1 1 1 1 1 3062 3190 1 1 1 1357 1 1 2396 2639 4124 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 1191 1 1 1 1 2391 2401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4704 5569 1 1 1908 1 1 1 539.4371 *539.4397* 539.4397@1.0761533 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.4397 *539.5193* 539.5193@0.9867491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.5193 *539.5798* 539.5798@0.9917528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 539.5798 *539.6529* 539.6529@0.9906417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 539.6529 *539.6998* 539.6998@0.99564314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 539.6998 *540.0323* 540.0323@0.76182497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1782 1 1 540.0323 *540.1172* 540.1172@1.0711625 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1172 *540.1259* 540.1259@1.0626657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1259 *540.1392* 540.1392@1.0625782 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1392 *540.1518* 540.1518@1.0808299 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3699 1 1154 1045 1 1 1 1 1421 1 1031 1 1132 1 1 1 1 1 1 1 1 1 1 540.1518 *540.1569* 540.1569@1.0866488 1 1 1497 1 1 1 1 1 1 1 1 1 1 2105 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1265 2940 1 1 1 1 1 1 1199 1 1094 1 1 1 1 1 1 1 1 1 1 1 3788 1 1 1 1 1 1 2716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 540.1569 *540.1605* C41 H20 N2 1601 1705 1 1 1571 1 1575 1 1 1 1 1243 1 1 1 1 1 1 1 2254 2230 3037 1 1 1 1848 2836 1989 1 1 2250 1222 2304 1 1 1 2606 1 1703 1 1215 1 1818 1 2107 1 4430 2430 2185 2413 2009 1932 2543 2898 1615 1301 1747 1 1943 1728 3055 3157 2289 1 3168 3171 1 1 3062 2725 1767 1 1 1 3744 2077 3546 3727 1 1883 3118 1 2008 1678 5044 4591 2791 2780 2743 2105 540.1605 *540.219* 540.219@1.1554196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2304 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 1 540.219 *540.3855* 540.3855@1.0139121 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 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4263 1166 1 1 1 1 1 1 1 1 1 1 1 3211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4165 1 1 1 1 1 1 1 540.3855 *540.3901* 540.3901@1.0050929 1621 1 1 1 5149 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2546 1 1 1 1 4987 1426 1 3846 1 1 1 1 1 1 1 1 1 1 3549 1 1 1 1 1 540.3901 *541.2022* C34 H27 N3 O4 1 1 1 1803 2467 3115 1464 1713 2999 2789 2243 2459 3172 2743 3449 3385 2078 2368 2928 2984 1965 2177 1958 2067 1759 1539 3050 2780 3472 3525 4109 2987 4085 3962 1945 1755 1364 1 1 2749 3283 3377 2539 2502 1920 1486 2018 1587 2313 2537 4041 3868 3492 3558 2460 1920 1 1 1942 2855 3153 2799 2874 2503 3606 3319 2241 1910 1 1 3117 2966 1 1251 1 1044 2294 2209 1721 2365 2489 2284 3209 3115 1 1 2334 2503 1717 1560 541.2022 *541.205* 541.205@1.0529598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 3039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.205 *541.4177* 541.4177@1.2244263 1 1 1 1 1 1 5011 4759 1 1 1 1 5579 1 1187 1377 1 1 2452 3020 1 1 1 1 1 1 1 1777 6033 1 1 1 1 1 1 1 1 1 2020 1263 3459 3525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3987 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 1 1 1 1 1 1 541.4177 *541.4199* 541.4199@1.2218708 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.4199 *541.4327* 541.4327@3.9485703 1 1 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 2009 3648 3397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.4327 *542.2841* 542.2841@1.1475475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 542.2841 *542.3896* 542.3896@1.06704 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.3896 *542.4398* C33 H58 N4 S 22750 21523 13265 13625 17554 18654 19847 16564 16394 17348 29108 28163 14709 14181 13878 15217 26276 26170 19745 20792 16565 16106 19223 20712 20923 20952 24814 24077 22176 22456 20934 21865 30731 27823 29630 25702 29719 29336 29238 31694 26639 26870 22784 23311 27888 26971 27879 27166 30402 30594 26850 29125 33806 35698 34427 35009 41863 37247 26238 25886 31696 32531 36142 33742 37146 37373 49975 49079 43144 46116 48132 47899 38849 39560 31752 28158 36279 35188 35743 35396 35216 38217 28608 37522 36894 37806 40060 40298 33427 34707 542.4398 *542.6652* 542.6652@5.151621 1 1 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.6652 *542.999* 542.999@5.1447153 1 1 1192 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 542.999 *543.3326* 543.3326@6.436254 1 1 1 1 1 1 1592 1382 1 1 1 1 2327 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5518 5582 1 1 1 1 1486 1420 1 1 1 1 1 1476 5250 5483 2427 2027 1 1 1 1 5073 5306 1 1 1 1 2733 2380 19205 16289 1558 1149 14182 13669 1 1 2632 2839 1 1108 3347 3596 1 1 3478 3438 1 1 1195 1 1 1 1 1 2013 2446 6822 7452 543.3326 *543.3602* 543.3602@1.2057912 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 1 1 1 1 1 1 1 543.3602 *543.3718* 543.3718@1.138719 1 1 2022 2525 1089 1 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 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 1 543.3718 *543.3767* 543.3767@1.2015619 1 1 6971 6711 1 1594 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 2062 1531 1 1 1 1 4946 1960 1 1 1 1 1 1 1 1 1 1 1 1 3773 4049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4281 4411 2124 1522 1 1 1 1 3068 1875 1030 1013 1 1 1 1 1 1 1 1 1 1 543.3767 *543.3812* 543.3812@1.1952332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 543.3812 *543.4039* 543.4039@1.193568 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 543.4039 *544.1188* C15 H36 N4 O7 S5 2374 2674 2293 2477 2305 2004 2418 2145 2373 2522 2314 2193 2070 2242 2379 2237 1990 2334 2458 2397 2149 2334 2400 2244 2154 1808 1838 2162 2082 1927 2157 2128 2507 2242 2352 2019 1842 1970 2698 2274 2188 1967 2173 2325 2066 2219 1978 1780 1742 1733 2479 2958 2363 2495 2608 2740 2444 2401 2207 1941 3802 3582 2691 2905 2972 3046 3170 3044 2525 1881 3402 3226 2330 2474 2989 2546 3258 2856 3242 3023 3340 3525 3159 3099 3438 3342 3186 2759 2892 3013 544.1188 *544.3169* 544.3169@1.0368257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 544.3169 *544.3686* 544.3686@1.0153637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3840 4060 1 1 1 1 1 1 544.3686 *544.4097* 544.4097@1.0361944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2991 2807 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 1 544.4097 *544.4123* 544.4123@1.0004679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1662 2380 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.4123 *545.349* 545.349@6.43849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.349 *545.3582* 545.3582@6.5227647 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 1 1030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.3582 *545.3609* 545.3609@5.3316784 1 1 17694 18143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27520 3609 1 1 1 1 4612 3588 1 1 1 1 3208 3318 1 1 1 1 1 1220 20398 21457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5462 5034 3364 3551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.3609 *545.3625* 545.3625@5.4275827 1 1 88311 84510 5964 5551 1 1146 1 1 1 1 3716 3161 1 1 1 1 1386 1251 1 1 1 1 3282 30609 1 1 1 1 24096 24500 1 1 1 1 2468 2200 1 1 1 1 1 1062 2571 2162 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1637 2084 2195 1 1 32662 30463 24716 24341 1 1 1 1 18522 19702 1 1 1 1 1 1 1 1 1 1 1 1 545.3625 *545.3657* 545.3657@5.3179684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.3657 *545.3684* C28 H47 N7 O4 1247 1 108932 113977 16363 16618 9318 1 3620 1 1 1303 2648 22255 1 1 3421 2369 12733 11555 2137 1 1884 1706 49298 47925 1 4347 2053 1 72296 70385 2688 1 1 3927 1 4771 5074 1444 1 1231 8305 1768 60364 3029 2555 1724 3366 1347 2593 1267 1 5981 2400 1447 1 1 3575 1049 3849 1 11806 11488 8916 11622 1 1 80279 81691 56426 22891 1 1 1 1 20842 21601 4426 3704 1 1 4185 1 1 1 1 1 1 1 545.3684 *545.3685* C36 H51 N O S 1 1 8932 4352 1 1 1 1 2500 1 2460 2653 21577 1 7841 6368 6859 11227 1 1409 1 4313 1215 1 2686 2584 1 1 7450 4460 1815 7161 4915 1 1 1 7897 4810 1 3195 8645 10866 1 8507 2964 61720 8091 10224 6676 6915 3732 3756 12499 5167 2619 2135 1 1 2223 1760 1 10181 1 1 2717 1 1596 1300 4493 8266 4568 34141 1 2300 1997 1 28779 2183 4056 4077 1798 1 1 2077 1 1 1338 1395 1648 1 545.3685 *545.3705* 545.3705@4.1560793 1 1 5157 11835 1 1 1 1 1 1 1 2538 1 1 1 1 1 1 1 1 1 1 1105 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 2049 1 1 1 1 2972 1 2850 1 3764 1 1 1 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19324 1 1 1 1 1 1 1 1 1 1 1 1 545.3705 *545.3717* 545.3717@4.300586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4181 1 1 1 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 1 1 1 1 545.3717 *545.3905* 545.3905@1.3792639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 545.3905 *545.3922* C26 H55 N7 O S2 4066 3273 73769 69844 11272 9980 7968 7743 7511 7134 4263 4016 8631 10854 8599 7722 6818 7626 10559 10987 5918 6106 6090 5718 20749 17532 6088 7545 7871 8634 51873 49693 8089 7752 4254 4005 4883 3584 6238 7120 11206 12631 4996 5210 36069 32954 7109 6142 10331 10203 7578 7074 8556 8549 7016 7747 1 1 4564 6992 9954 10572 13137 12240 8609 10248 4609 4144 46751 51525 19730 19699 4045 3738 3211 3745 28625 28725 7846 6446 8161 7960 10277 7921 1477 1 4575 4880 7350 6745 545.3922 *545.3929* C29 H55 N O8 39585 39697 801630 813885 113843 112975 66416 67230 61685 61179 45513 45704 86999 85194 78599 77222 69433 70485 104372 102506 59318 60923 54235 55522 208437 207209 56964 57572 81669 85695 535509 520015 81294 76215 42556 39869 40375 41681 55751 56188 116534 115271 48042 46706 370059 364460 59308 60443 103026 103135 75279 75415 99532 94903 70997 71219 17578 17951 62503 61286 104428 103454 130079 128407 89073 90247 47130 47537 509052 512570 204005 207195 40333 39396 33689 34432 310534 315444 80755 78665 77873 77325 81005 82865 20285 20563 49440 47206 4121 61397 545.3929 *545.3955* 545.3955@1.0747973 1 1 7340 6217 1 1 1 1 1 1 1 1 1921 1 1 1 1 1 1 1 1 1 1 1 3394 3420 1 1 1 3972 4237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5056 1 1 1 1 16214 1 1 1 1 1 1 3137 1 1 1 1 1 1111 1 1 1 1 2985 56598 1 545.3955 *545.4* 545.4@1.0682479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17218 1 3249 3578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.4 *545.4354* 545.4354@1.0334903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1885 1 1 1 1 1 1 1 1 1 545.4354 *545.4443* 545.4443@0.9991006 1 1 5834 1 8095 1 1 1 1 1 1 1 1 5805 1 1 1 1 1 1 1 1 12572 1 12692 8451 1 1 1 1 1 8687 1 1 1 1 1 2790 19003 1 1 1 13715 1 1 1 14933 1 1 3091 17322 1 1 1 14388 1 3901 1 1 10740 1 1 1 1 1 1 1 5266 1 1 1 1 1 1 2670 1 1 1 1 21299 1 14291 14282 1 1 2242 1 1 1 1 545.4443 *545.6061* 545.6061@6.621934 1 1 2155 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 1 1 545.6061 *545.6703* 545.6703@1.203333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1517 1 1 1 1 1 1 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 1950 1 1 1 1 1 1 1 1 1 1 1 1 545.6703 *545.6945* 545.6945@5.323598 1 1 10336 11494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 21836 1 1 1 1 3244 2858 1 1 1 1 1914 2261 1 1 1 1 1 1 1814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 1 1 4466 4061 2664 2284 1 1 1 1 1545 1394 1 1 1 1 1 1 1 1 1 1 1 1 545.6945 *545.6979* 545.6979@5.429352 1 1 67847 63857 3588 3574 1 1 1 1 1 1 2136 1943 1 1 1 1 1 1092 1 1 1 1 21839 2388 1 1 1 1 18488 17664 1 1 1 1 1905 2143 1 1 1 1 1034 1 15044 14908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1044 1599 1362 1 1 23756 21642 17967 19022 1 1 1 1 13063 14842 1 1 1 1 1 1 1 1 1 1 1 1 545.6979 *545.8577* 545.8577@6.615919 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 545.8577 *545.8687* 545.8687@3.8798447 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 545.8687 *545.8692* C21 H Cl3 N2 O10 1 1 2750 59688 7196 7447 3903 4148 1 1 1 1 9462 10273 1 3258 5181 4465 4981 5240 1 2439 2965 1 24755 24466 1 1 2699 1277 37782 37011 1529 1 1181 1 1 1 1 1 3910 4893 1 3005 33507 31772 4481 5255 1 1413 2016 1249 5292 2686 1079 1 1 1 1 1 6227 2773 6775 2033 6373 5519 1 1 5263 4271 30804 14306 1 1 1 1 14433 27506 4855 2276 1 1141 3320 3460 1 1 1 1 1 1 545.8692 *545.8701* 545.8701@4.182545 1 1 60392 6260 1557 1 1 1 1 1 1 1 1 1 1 1 2463 1 1 1074 1 1 3629 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1134 1 1 1 1 1 2075 1 1 1 1 1 3320 1 1 1 1 1 1 1 3267 1 4723 1 1 1 1 43260 45428 3504 16210 1 1 1 1 12925 1 1 2939 1 1 1 1 1 1 1 1 1 1 545.8701 *546.0301* 546.0301@5.4255066 1 1 42863 28124 1635 1593 1 1 1 1 1 1 1078 1 1 1 1 1 1 1 1 1 1 1 9612 1347 1 1 1 1 7384 8245 1 1 1 1 1 1 1 1 1 1 1 1 6820 6871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10398 14964 8111 8386 1 1 1 1 7105 9499 1 1 1 1 1 1 1 1 1 1 1 1 546.0301 *546.0309* 546.0309@5.331483 1 1 5640 6441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9617 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 2313 1875 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.0309 *546.0939* 546.0939@1.203371 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.0939 *546.2678* 546.2678@1.0366195 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 2199 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 1 1 1 1 1 1 3171 1 1 1 1 1 2236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.2678 *546.3264* 546.3264@4.660017 1 1 1 3492 1 1 1 1 1 1 1 1 1 1 1 1 5499 5223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3600 2975 1 1 1 1 1 1 1 1 1 1 546.3264 *546.3708* 546.3708@1.0486525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4831 5226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3708 *546.3737* 546.3737@4.148028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9682 1 1 1 1 1 1 1 1 1 1 1 1 546.3737 *546.3813* 546.3813@1.0523522 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3813 *546.3878* 546.3878@1.0670823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 546.3878 *546.392* 546.392@1.0746535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 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 1176 1 1 1 1 1 1 546.392 *546.3921* 546.3921@1.3199172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1309 1 1 1 1 1 1 1 1 1 1 1 1 1 546.3921 *546.404* 546.404@1.0176184 1 1 4551 5157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.404 *546.4232* 546.4232@0.9909965 1 1 1 1 1 1 1 1 3105 1 1 1 1 3212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.4232 *546.4275* 546.4275@0.9929163 6666 1 1 1 3714 4346 1 1 1 1 1 1 1 1 3278 1 5543 1 1 1 3861 4463 1 4927 1 4939 1 1 1 1 4602 4104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6036 1 1 1 6678 1 1 10959 10439 10375 1 1 3984 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 6789 5265 1 1 1 1 9122 9961 7502 1 1 1 1 1 1 6248 546.4275 *546.6722* 546.6722@1.2022086 1 1 2641 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 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.6722 *546.6939* 546.6939@1.2021278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.6939 *546.8734* 546.8734@4.1224747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.8734 *546.8944* 546.8944@1.2069932 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.8944 *546.9783* 546.9783@1.2043676 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.9783 *546.9928* 546.9928@1.2069932 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 546.9928 *547.013* 547.013@5.3512025 1 1 1462 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.013 *547.0155* 547.0155@5.438361 1 1 1 14604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5904 4099 1 1 1 1 3908 4737 1 1 1 1 1 1 1 1 1 1 1 1 3215 2649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4289 1 1 3316 1 1 1 1 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 547.0155 *547.0865* 547.0865@1.2069932 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.0865 *547.1442* 547.1442@1.2059946 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.1442 *547.298* 547.298@1.0193492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10500 1 1 1 1 1 1 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 1 547.298 *547.321* 547.321@3.199234 1 1 6312 4543 1 1 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 4383 1 1 1 1 1 1 1 1 1 1 1 1 4078 6807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5451 4798 1 1 1 1 1 1 3152 2427 1 1 1 1 1 1 1 1 1 1 1 1 547.321 *547.3433* 547.3433@1.0573211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.3433 *547.3878* 547.3878@5.1703787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.3878 *547.3885* 547.3885@2.059735 1313 1 1 1 1 1 1 1 1 1 1 1 1194 1 1594 2113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.3885 *547.4142* 547.4142@1.1949308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11999 11725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.4142 *547.4209* 547.4209@0.9905281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 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 1 547.4209 *547.4248* 547.4248@1.003116 1 1 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 2986 1 1 1 1 1 1 2221 1 1 1581 1 1 1 1 1 1 1 1 1 1 1 2952 2678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 1 1 1 1 547.4248 *547.4383* 547.4383@1.0279859 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.4383 *547.9215* 547.9215@1.1907451 1881 1714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 3797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 547.9215 *548.2416* 548.2416@1.1545048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1395 5333 1 1 1 1 1 1 1527 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.2416 *548.2548* 548.2548@1.1299933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 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 1782 1 1 1 1 1 1 1 1 1 1 1 1 1 548.2548 *548.267* 548.267@1.117079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 1 1762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1712 1261 1 1 1 1 1 1 1 1 548.267 *548.2902* 548.2902@3.323502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9954 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 1 548.2902 *548.2902* 548.2902@3.39476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16579 13028 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.2902 *548.3068* 548.3068@1.0239702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 548.3068 *548.3991* 548.3991@1.209036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1961 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1 1 1 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 1293 1 1 1 1 1 1121 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 548.3991 *548.405* 548.405@1.2075835 1 1 1 1 1 1 1778 1 1 1 1 1920 1 1 1 1921 1 1 1 1 1 1 1 1 1 1 1 1 1998 1 1 1 1 1924 1 1 1936 1 1 1 1 1 1 2010 1 1 1 1 1 1 1 2964 1 1 1511 2779 1 1 1 1 1 1 1 2614 1448 1 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 2490 1 1 1 1548 1 1 548.405 *548.4087* C34 H52 N4 O2 1 8811 3958 1 6449 7409 3429 4320 3863 4042 2586 4181 1 3416 3149 2845 2899 3571 3140 1 2396 4019 4535 1196 5137 5712 2604 5509 4922 1 3603 1 1 1 6463 3766 4579 1 1 1 1517 1632 2795 3542 1599 9006 3021 1 1 3968 8247 4924 3233 12239 6679 11025 5531 4365 1577 1 1730 1 2266 2150 1694 2073 1 3426 2562 1920 2299 1 2525 3617 2611 2230 1 2005 1531 3116 1 1 1847 2066 2734 1 1523 2016 2278 1 548.4087 *548.4089* 548.4089@4.065459 1 1041 1 1 1 1 4296 1 7040 1446 6582 1 5829 1 1 1 1522 3662 1 1 1 1 1 1 4033 1 1 1 1 1 1 1 1 1 3607 1 1 1 1099 1 1 5435 2030 4807 7001 6930 8378 1 1 9176 4469 1 8626 4557 3801 1 1 1 7379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2834 1502 1 1 1 1 1 1 1 1889 1 2148 1 548.4089 *548.4092* 548.4092@3.8401446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.4092 *548.4094* 548.4094@3.7275913 1 1 3028 2180 1115 1253 1076 1 3411 2334 1457 1 1 1451 1 1 2357 1 1 1 1 1 2937 3513 4534 1 1 1 1 1 1 1 1 1 2331 4215 1 1 1 1 1 2844 2645 1 1444 3027 4478 1 1 3461 1 1 1833 1 1 1 1550 1 2295 1 1 1 1106 1 1 1 1 1 1814 1 1 1 1 1 1 1 1 2656 1 1130 4288 10217 1 1 3981 1 1 1944 1 1045 548.4094 *548.4099* C34 H52 N4 O2 + 3.9736576 5573 6063 6138 1 4733 1 4089 1 2191 1141 3581 1 5226 5669 1 5801 6459 1713 4383 5358 4065 6149 5726 5032 7345 1 5051 6324 6167 4609 1 6798 5893 2554 3925 4045 5281 5726 6017 5176 6023 4812 3321 1490 5078 9800 8365 7146 1 2939 6879 1 5901 9143 9269 4198 4097 6319 4056 6759 1346 4925 1 3221 2603 1487 3009 2908 3052 1 4772 4000 4078 3343 4543 3266 5032 2955 1805 4419 5662 7260 3256 4709 5630 4861 4076 1161 2067 1951 548.4099 *548.41* 548.41@4.0068192 1 1 1 1 1 1 1 1 1 6689 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.41 *548.4106* C31 H64 O S3 7163 2732 7234 3488 6963 4101 3389 6643 7211 6156 7898 1 1120 6086 1 4969 7606 2750 5505 6551 4547 7616 8582 6673 2704 1 2998 7541 1 9360 6172 1 7764 8355 3903 2079 6245 7661 7826 6352 7801 9888 3766 9913 6669 4347 7570 1492 1 4131 8328 1 10003 6012 7207 10325 1 8397 4752 10704 5506 6018 3311 1 2988 1635 2039 1485 2547 4469 5680 6052 2765 4337 3093 5567 5510 3994 1374 5237 7040 1027 1 2721 5785 3878 1342 2273 5025 1 548.4106 *548.4111* 548.4111@1.0326374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3128 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 1 548.4111 *548.668* 548.668@5.4516234 1 1 2756 2746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1083 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 1088 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.668 *548.9082* 548.9082@4.107819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1097 1 1 1 1 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 2140 1 1 1 1 1 1 548.9082 *548.9108* C17 H9 Cl2 N3 O10 S2 1015 1993 2292 1088 1059 1743 1484 1 1047 1 1058 1 1911 1 1 1 1586 1 2609 1 1388 1 1 1 1 1547 2311 1852 1869 1 1498 1033 1 1 2249 1548 1 1 2348 1 2677 2934 1 1535 1 2540 5964 1607 1 2197 2103 1 1 2794 2200 1 1125 1 4906 1823 2946 1 1 1 1 3689 1 1187 1041 1 3085 3545 3344 1 1 1 3819 1 2572 3264 3471 1 1 1793 2042 6448 1 1 1 1 548.9108 *548.9114* C18 H13 Cl2 N3 O5 S4 2073 2993 4242 1 3349 4298 2649 3426 1 3562 1 1 3079 1 2768 3908 1 1 2313 1 4277 2508 2801 3014 1537 1 4014 1 1949 1 1 1 2649 1333 1099 3900 3211 2369 3178 2062 1 1862 2461 3579 3411 3416 3396 5134 3735 3733 7495 4628 5903 6716 4259 3801 3659 4605 3011 3708 1 1 1 1 1 1 2116 2283 1 1 3374 1 1 1091 1 8152 4575 4416 1734 4048 1 1 1 1629 3062 1 1 1 1923 1 548.9114 *548.9123* C16 H14 Cl3 N O10 S2 1 1 1 1176 1200 2885 1160 1 2217 1 1334 2706 1628 1 1 1 1 2603 1 1 1167 1 1 1171 1168 1342 1 1 3026 3327 1 1 2835 1413 2797 2681 1 1 1460 1 1 1 1 1 3227 1 6287 4001 3728 1658 4904 6228 3282 1 1 3963 4140 3410 1 1 1 1 1 1 2057 3265 1 1919 1 1 3051 3151 1 1 1 1 2823 3037 2744 1770 1 1 1 2313 1501 1 1 2706 1634 1111 548.9123 *548.9126* 548.9126@3.952437 1 1 1 1 2815 1 1 1 1 1 1 1 1465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1268 1 1 1 1 2857 1 1 1 1 1 1 548.9126 *548.9155* 548.9155@1.2119869 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.9155 *549.0007* 549.0007@5.4412055 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 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 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.0007 *549.2119* C32 H36 Cl N O3 S 10526 10814 10935 10253 11383 11127 10848 10665 11728 1 7009 1 11239 12137 1 12148 6236 5951 10260 10449 17029 15343 15933 16456 13643 13132 11956 12072 14234 13784 4475 4466 8530 8721 1 6571 6678 6927 7631 7008 7409 8171 9947 9595 5378 5589 6286 1 7345 8447 10244 10060 11157 1 10231 10059 11289 11825 1 11916 5922 1 6079 2515 2997 6009 4340 1 1 4569 1 3688 1 4253 4794 4208 1769 1 3657 1724 9535 10149 5498 1 8442 8249 6333 6108 10453 10286 549.2119 *549.2254* C34 H27 N7 O 1 1 1455 1542 2594 2310 1470 2707 2408 2414 1853 1 2467 2157 1897 1 1251 1 2309 2770 1912 2287 2330 2407 1494 1429 1543 1423 1908 2017 2612 1727 1341 1760 1 1 1 1 1 1 1 1303 1317 1 1 1213 1 1 1 1 1 1 1893 2194 1 1305 1 1 2300 2430 4894 4896 2188 4025 2402 2862 1 1 1964 2072 1745 1854 1491 1 1 1 1 1254 2007 2072 3453 3056 3132 2379 1 1 1882 1940 1 1 549.2254 *549.2612* fluphenazine enanthate 1306 1 1 1 1 2078 2544 1 1 1 1 1 1 1 1 1807 1 1 1 1 1 2608 1 1 1 1 1751 1 1 1 1 2037 1 1922 1654 1 2315 2280 1 1 1 1 1 1 1 1 1 1 1 1861 1 1 1 1 1 1 1 1 1 2435 1044 2080 2447 1 1 3544 1 2396 2841 2201 1 2005 1 1 2406 1051 2486 2429 1700 2797 2038 2591 1 1 2396 2473 1 1 1 2494 549.2612 *549.2668* 549.2668@1.0838455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1124 1 1 1 1 1 1 1 1 549.2668 *549.2895* 549.2895@1.0315069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 549.2895 *549.2922* 549.2922@3.3738637 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.2922 *549.2975* 549.2975@1.0177376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.2975 *549.3077* 549.3077@1.0314696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 549.3077 *549.3361* 549.3361@5.452199 1 1 1568 1110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.3361 *549.3386* 549.3386@2.9747026 1 1 1 1 1 1 1 1 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 9270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16356 15901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.3386 *549.3456* 549.3456@4.023273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2125 1 1 1 1 1 1 1 1 1 1 549.3456 *549.3627* 549.3627@1.2081771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.3627 *549.3776* 549.3776@1.201637 1 1 1 1 1 1 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 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.3776 *549.3873* 549.3873@1.2051196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 549.3873 *549.4125* 549.4125@3.9822483 1 1 1 1 1 1 1 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 1 1 1 2994 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 1 1 1 1 549.4125 *549.6175* 549.6175@3.8065405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 549.6175 *549.6201* C38 H79 N 2176 1 1156 1261 1241 1267 1804 1656 2366 1706 2094 2055 1449 1061 1108 1341 1828 1 1 1586 1711 1366 1311 1551 1336 1778 4375 4428 1248 1553 1428 1868 1328 1201 1678 1766 1320 1 1287 1743 2057 1729 1630 1327 2545 3002 3264 2715 2681 3086 3016 2771 2858 2632 2745 3090 3197 2776 3165 3256 1791 1480 1126 1356 1321 1335 1575 1708 1291 1348 1157 1468 1 1 1521 1752 1 1234 2436 2539 1807 1751 1707 2074 1851 1471 4810 1167 1479 1337 549.6201 *549.6245* 549.6245@2.7164943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5077 1 1 549.6245 *550.0307* 550.0307@5.4046493 1 1 8208 7967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2571 2008 1 1 1 1 1985 2332 1 1 1 1 1 1 1 1 1 1 1 1 1652 1642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 2278 1651 1904 1 1 1 1 1704 1500 1 1 1 1 1 1 1 1 1 1 1 1 550.0307 *550.2125* 550.2125@0.99376106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1 1655 1463 1 1 1384 1 1 1 1 1 1 1 1 1 1 1 1791 1 1 1 1 1 1 1 1 1 1 550.2125 *550.2211* 550.2211@1.43749 1826 2126 1 1 1 1 3186 3072 4245 1 1 1 3173 2771 3138 3586 1 1936 1 2372 1 1 1700 2886 1 1469 1721 2230 1395 1 3708 3323 1 1 1 2030 2111 2484 2556 2128 1 1 1 1 1 1 3868 3983 1 1 2210 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2087 2188 1 1 1 1965 1 1 2316 2139 1 1 1 1800 1 1 1 1 1 1 1 1 550.2211 *550.2449* 550.2449@1.1536485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2552 1 1 1 1 1 1 1 1 1 1 1 4824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 550.2449 *550.2456* C27 H50 O S5 4898 5277 1 1 1 3040 1 1441 1555 2300 1 1 1 1 2553 1665 1 3037 2873 3811 2987 4610 1 1146 1 1 1 1 1 1 4038 1662 4009 3001 1 3032 1627 1 5114 5324 1 1 2779 3192 1 1 1 5408 1638 1 1 3116 1 1 1 3202 1 1 3124 2516 3838 1 1588 1 4311 2161 1 1 3127 1 1 3939 1 1 2607 2253 1 3987 2682 1 1 1 1 1 4776 1 1 1679 1 1 550.2456 *550.248* C35 H30 N6 O 1 2163 1731 1339 3659 1 4159 3265 1 2699 1 1 2304 2524 1 1791 2853 1 3187 1917 1 1 1376 2750 3465 3408 3221 2347 3300 2976 1 3367 1 4211 2271 1 2501 2968 1 2221 6779 4486 1 1258 1 1 5386 1 1 5041 6063 1192 2797 4637 2891 1 4761 5707 2248 3216 1461 1 3004 4209 4543 3099 4382 5119 1 6862 4772 1464 2818 2753 3103 2673 3059 1 1100 2510 1 2122 1 4140 1 4950 2512 2190 2731 2656 550.248 *550.3385* 550.3385@1.1985606 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3039 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.3385 *550.3454* 550.3454@1.197968 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.3454 *550.351* 550.351@1.1301026 1 1 2524 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 2541 1 1 1 1 1 1 3431 3427 1 1 1 1 1 1 1 1 1 1 2586 2976 1 1 1 1 1 1 1723 1466 550.351 *550.3652* 550.3652@1.0489284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3253 1 1 1 1 1 1 550.3652 *550.3689* 550.3689@5.4038734 1 1 6295 6139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2178 1859 1 1 1 1 2164 2160 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 2261 2398 1961 1895 1 1 1 1 1 1470 1 1 1 1 1 1 1 1 1 1 1 1 550.3689 *550.3717* 550.3717@1.0443401 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.3717 *550.3882* 550.3882@4.3074923 1 1 1 1 1 1 1 1 1 1 2383 2300 1 1 1 1 1 1 1 1 1796 1 1 1 1 1 1818 1675 1844 2138 1 1 1 1 1 1 1 1 1 1 1 1 4444 4284 1862 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.3882 *550.3969* 550.3969@0.986646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1536 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 1 1 1 1 1 1 1 1 1 1089 1 1 1235 1 1 1 1 550.3969 *550.4698* 550.4698@1.058053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.4698 *550.702* 550.702@5.4053755 1 1 2933 3632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.702 *550.8892* 550.8892@4.291911 1 1 1 1 1 1 1 1 1 1 1244 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2216 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 1 1 1 1 1 1 1 1 1 1 1 1 550.8892 *551.2085* 551.2085@0.99587184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1112 2182 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.2085 *551.2585* 551.2585@1.177008 1 1 1 1 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 2459 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.2585 *551.3251* 551.3251@1.2081771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.3251 *551.3295* 551.3295@2.0341 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.3295 *551.345* 551.345@7.588048 1 1 4787 4574 1 1 1 1 1 1 1321 1 1 1 1 1 1 1 1 1 1 1 1 1 2619 2502 1 1 1 1 2359 2202 1 1 1 1 2134 1896 1 1 1 1 1588 1728 2402 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2908 2862 2006 1905 1 1 1 1 1580 1684 1 1 1 1 1 1 1 1 1 1 1 1 551.345 *551.4037* 551.4037@1.2063375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16122 16733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4670 1 1 1 1 1 1 1 1 1 1186 1489 551.4037 *551.4091* 551.4091@1.2065427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1448 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 1 551.4091 *551.4768* 551.4768@1.1996928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 551.4768 *551.4878* 551.4878@1.204766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.4878 *551.4889* 551.4889@2.8096106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 1560 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 551.4889 *551.4899* 551.4899@2.051536 1 1 1 1 1 1 1 1 1 1 1 2176 1 1 2681 1 1 1 1 2230 1 1 1 1759 1 1 1 2182 1 3228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3140 3226 1 1 1 1493 1 1 2913 1 1877 1 1570 2585 2618 3194 1 1 1 1 1 1 1 2887 1 1 2483 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 551.4899 *551.4903* C34 H65 N O4 1 5263 1 1 1 1 1 1 1 4497 1 1 5010 4512 2446 2891 1 4755 1317 1 3748 1 4995 3751 4481 1 1 1 1 2256 4113 3212 2838 4496 4758 2627 1 4723 1 1 3597 3759 1388 1 1 1 1 1 2176 4413 1960 1 1 1 1 1 1 2446 1 1 5638 4790 1 3263 1 1 1 3704 3795 4406 1 5694 1 3179 4170 1 5024 6174 1 2472 2836 4005 2205 1 4174 2432 1 1 1 1 551.4903 *551.4908* 551.4908@0.8385187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2083 551.4908 *551.6809* 551.6809@7.5883985 1 1 3559 3540 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1822 1780 1 1 1 1 2051 1930 1 1 1 1 1028 1377 1 1 1 1 1310 1087 2373 2091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 2559 1703 1460 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 551.6809 *552.0146* 552.0146@7.5846977 1 1 1784 2231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.0146 *552.2051* 552.2051@0.9969091 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.2051 *552.2097* 552.2097@0.99154174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1088 1477 1 1257 1 1229 2035 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 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 1 552.2097 *552.3627* 552.3627@5.596912 1 3018 1 1 2006 1 1 1 3091 1 1 2759 1 1 1 1 2397 1 1 2463 1 1 2601 1 1862 2775 3403 1 2458 1 1 1 1996 1 1 1 3168 1 1 1 1 2318 2015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.3627 *552.365* C32 H56 O3 S2 4472 4645 3094 3146 4038 4415 3796 4007 4253 4526 5841 4682 3603 3026 1 2805 4249 2907 4294 4318 3704 2619 4271 5051 4552 5011 3280 3366 3350 4907 3003 4495 5694 6234 6066 5070 6286 6326 5340 5487 5518 4996 5095 4886 4462 3933 5048 5311 5458 5149 4254 4663 5081 5691 1 5283 6480 5748 2603 4401 2738 4716 3601 4304 6290 5227 6017 1 5032 3923 6246 5277 6792 5839 5032 5604 5512 5774 4755 1 6489 4880 5385 4725 5691 4565 5549 6178 5653 5343 552.365 *552.3765* 552.3765@4.111189 1 1 6851 8075 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 3767 4846 1 1 1 1 1 1 1 1 1 1 1 1 1 6089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5152 6259 1 1 1 1 1 1 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 552.3765 *552.3816* 552.3816@1.0398142 12075 1 1 1 1 1 1 1 9728 1 14408 1 1 1 1 1 1 1 1 1 16477 1 1 11199 1 8694 20165 1 13739 1 1 12627 1 1 1 14671 1 15711 1 1 1 10903 10822 11768 13411 13365 1 1 1 1 1 1 14300 1 1 1 27619 1 1 22158 18423 1 15899 1 1 1 1 1 17996 16047 1 1 1 1 1 31149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.3816 *552.4002* 552.4002@1.2058985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 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 2107 1 1 1 1873 1 1 1 1092 1 1 1 1 552.4002 *552.4103* C35 H56 N2 O S 1 1025 2127 1998 3101 1 1003 1673 1307 4385 1 1 1731 2411 2347 2261 1 1049 2219 4225 1 1126 2542 2811 1125 2011 1 1 1344 1355 1612 2116 1574 1 1895 1739 3802 2607 4738 2466 2023 2856 2184 2819 1 1 1 1 1 2015 1084 2287 1368 1 1 1 1807 1 1 1 1 1 1058 1768 1946 1669 1 1 4512 4538 1 1595 1 1504 1520 1 1 1 1 1 1921 1 1701 1441 1 1 1387 1122 1841 2506 552.4103 *552.4232* 552.4232@1.2101867 1 1 1 1 1 1 1 1 1 1 1 8484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.4232 *552.8781* 552.8781@4.10572 1 1 3208 3273 1 1 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 1 1 1 1 1 1 1 1 1593 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 2353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 552.8781 *553.1119* 553.1119@2.0816085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 553.1119 *553.1763* 553.1763@1.0107001 1 1 1 2759 1 1 1 1 1937 2952 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 3016 1 1 1 2991 1 1 1 1 1 1 1 1 1 1 1 5646 1 1 1 1 1 1 1 1 1 1 1 1 1 2485 2190 3019 1 1 1 1 1 1 1 1 1 1 553.1763 *553.1847* 553.1847@1.0064514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.1847 *553.3668* 553.3668@4.2532363 1 1 2386 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3403 1 1 1 1 1 1 1 1 1 1 1 1 553.3668 *553.3721* 553.3721@0.98502004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.3721 *553.421* 553.421@1.2080705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4496 1 1 1 1 1 1 1 1 1 1 1 1 4552 5198 1 1 1 553.421 *553.4439* 553.4439@1.1686907 1 1 1373 1262 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1368 1123 1 1 553.4439 *553.4529* 553.4529@1.2058228 5369 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 3185 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 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3031 2535 1 1 1 1 1 1 553.4529 *553.4532* 553.4532@1.0711678 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.4532 *553.8674* 553.8674@4.257799 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 553.8674 *554.3378* 554.3378@1.0449095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9223 8312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.3378 *554.3478* C16 H42 N16 O6 5869 5899 59478 60205 14667 15250 11690 10899 11845 11588 12198 11871 19927 19693 5570 5301 8085 7841 11931 11954 7711 7690 5578 5718 33084 33378 8008 8382 8332 8443 37286 36997 5208 4933 7908 7609 16754 17107 8886 9135 9478 9470 13914 19346 39735 41533 15510 15218 10485 10453 6318 6461 16617 15832 8320 8343 9959 10011 6935 7250 11607 11292 11865 11484 15529 15209 3953 4496 46782 46708 33010 31834 6334 5519 5833 5690 26932 27836 13535 13985 6167 5845 6068 5890 8543 9068 6373 6676 4617 5184 554.3478 *554.3481* 554.3481@1.0449629 1 1 2083 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 554.3481 *554.3516* 554.3516@6.0456786 1 1 2190 2051 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 5594 1 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 1 554.3516 *554.3583* 554.3583@4.6076384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1668 1 1 1 1 3083 1 1 1 1 1 1 3005 1 1 1 1 1 1 1 1 1 1 1 1 554.3583 *554.3613* 554.3613@1.0399129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.3613 *554.3743* 554.3743@1.0374181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.3743 *554.8286* 554.8286@4.9770646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2964 4217 1 1 1 1 1 1 1 1 1 1 1 1 1020 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4257 4298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.8286 *554.847* 554.847@5.9762096 1 1 1187 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 554.847 *554.8486* C26 Cl3 N3 O2 S2 2794 2684 28723 29862 6132 6257 5093 5341 5049 5335 5593 5968 9645 8986 2857 3028 3487 3498 5839 5333 3537 3771 2188 2536 16154 16564 3942 3320 3511 3787 18381 18059 2480 2636 3117 3691 7897 8377 4166 3920 4383 4605 8927 9583 19914 19774 7427 7578 4132 4264 2833 2857 7479 7582 3456 4105 4489 4437 3655 3619 5302 4938 5648 5554 6891 6333 1857 2407 24141 23927 16798 16763 3162 2496 2945 2847 13373 13610 6415 6330 2617 2742 2520 2896 4203 4100 2845 2927 2142 2244 554.8486 *554.9994* C19 H17 N5 O7 S4 1 1 1 1281 1 1 1 1 1 1 1 1263 1 1 1222 1 1 1 1 1355 1216 1078 1007 1239 1007 1 1 1 1 1 1 1 1267 1321 1130 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1297 1289 1 1 1 1357 1 1 1 1152 1689 1841 1 1 1563 1482 1469 1398 1 1 1 1940 1 1 1360 1112 1 1855 1578 1 1760 1718 1655 1 1577 1738 1 1 1555 1 554.9994 *555.3334* 555.3334@4.973693 1 1 1 1 1 1 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 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 2195 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.3334 *555.3638* 555.3638@5.618077 1 1 1826 2318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.3638 *555.4194* 555.4194@1.2077842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 555.4194 *555.4336* 555.4336@1.125715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2983 1329 1 1 1 1 1 1 1 1 1 1 1 1 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 1665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.4336 *555.4344* C32 H61 N O4 S 1 1 3624 3895 1 1 1 1 4002 4036 11364 11401 1151 1842 4757 4780 1 1 3748 4129 2897 2921 9640 9049 1 1 15062 15460 11420 12194 8959 8257 1 1 2993 1 1 1 1 1 1941 2582 9305 9193 3921 3890 1 1 1 1 1 1653 1761 1791 4247 4342 3579 2984 8959 9391 2034 1346 1 1 1712 1949 3455 3253 1483 1203 1422 1243 1397 1154 1 1 1 1 1 1 7581 7753 10707 7650 2137 1959 1 3178 1652 2063 555.4344 *555.6953* 555.6953@5.621588 1 1 1479 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 555.6953 *556.161* 556.161@2.0714428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3557 1 1 1 1 1 1 1 1 1 1 556.161 *556.2141* 556.2141@1.1668965 1 1 1 1 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 3248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.2141 *556.3645* 556.3645@6.7118683 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 1 1 1 1 1 1 1 1 1 1 1 1 1 556.3645 *556.4066* C27 H48 N12 O 1579 7454 1902 1836 2075 7245 1 2657 1953 4831 1644 1334 3099 1078 2790 4377 1827 1216 2083 6539 1251 5241 1679 1367 4147 9771 8284 6323 2744 1919 2128 5661 9797 1 1681 1229 2313 1141 1950 6275 2413 1 1974 7219 8505 10290 1275 1717 1256 2060 4016 5010 10570 2468 5864 4002 10182 2593 2520 3689 1 2014 3282 5598 1 1424 1394 1591 5250 3503 7476 8468 1074 1741 1282 4942 4993 4003 1986 2019 2207 5613 1099 1361 2016 5645 6093 1061 2278 2461 556.4066 *556.407* C33 H61 Cl O2 S 4407 1 7139 1 7422 1 1 5786 9559 1 9128 8406 3608 8262 4215 1 5310 4966 5738 1 7865 1 1 8983 3075 1 1 1 1232 8831 9394 1 1 1 7516 9582 8803 3451 8234 1 4313 1 6833 1 1 1 9263 10244 2618 12088 14882 9926 1 11078 1 9835 1 8089 4158 9373 1 1 1 1 1 5435 1532 4406 1 1 1 1 2801 1973 3631 1 1989 2441 3852 1 1 1 3263 1 3305 1 1 1 3894 2139 556.407 *556.4072* 556.4072@4.1895366 5363 1 1 1 1 1 1 1 1 1 1104 1 5747 1359 2158 1 4083 1 1 1 1 1 1 1 1 1 1 1 3462 1 1 1 1 1 1184 1 1 1 1 1 3987 1 1 1 1 1 1007 2104 1 1 1 1 1 1 1 1 1 1 5354 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 3384 1 1 1 1 1 556.4072 *556.4098* 556.4098@3.9794755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 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 1 556.4098 *556.411* 556.411@4.0261292 1 1 1 1 1124 1 1 1 1 1 2114 1 1 1 1 1 1 1 1 1 1 1 1 1412 1 1 1 1 2841 1 1 1 1 1 2628 1176 1 1213 1 1 1532 1 1 1 1 1 1970 1 1 1 1 2229 1 2104 1 2318 1 1 1985 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 1 556.411 *556.4354* 556.4354@1.2103082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 1 1 1 1 1 1 556.4354 *556.4713* 556.4713@1.0747283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.4713 *556.4846* 556.4846@1.0755225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1376 1 1 1 1 1 1 1654 1612 1 1 1315 1131 1 1 1 1 1686 2035 1 1 1 1 1 1 1 1 2074 1921 2693 2467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1684 1508 1 1 1 1 1 1 1 1 1 1 1 1 1828 2046 1 1 1 1 1 1074 556.4846 *556.6119* 556.6119@6.700946 1 1 1439 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.6119 *556.8339* 556.8339@6.314142 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 556.8339 *556.9076* C26 H4 Cl N O8 S2 2273 5225 1 3994 2097 5812 1 2575 2226 4317 3956 2732 4257 3748 1 1 2961 2476 2899 1118 2954 4296 2509 2653 1149 5974 1 1 3557 5097 1346 1 1952 2094 3529 1 1 1 2001 1 3589 3233 2639 1748 1 3219 5513 6433 4689 4857 1 3994 1003 5189 1 5792 7012 4200 1731 1 1 1 1 1 1 1037 1 1 1 1 3107 4590 1 1 1 1 1584 1 1976 1 4445 1 1 1 1 1 1 1 1 1 556.9076 *556.9082* 556.9082@3.997251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1139 1 1 1 1 1 1 1 1539 1 1 1 1 1 1 1838 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1674 2042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 556.9082 *556.9097* 556.9097@4.1030164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1120 1 1080 1 1 1 1 1 1 1942 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 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 1 556.9097 *556.911* 556.911@4.2091627 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2242 1 2327 1 1 1 1 1 1 1 1 1805 1 3239 1 1 1 1 1664 1 1 1 1 2761 1 1 1 1 3591 1 1 1 1 1 1 1 1 1 1 1 2712 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 556.911 *557.1583* 557.1583@2.0714428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6348 6533 1 1 1 1 1 1 1 1 1 1 557.1583 *557.2996* 557.2996@1.0709593 1000 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1473 1387 1 1 1 1 1 1 1665 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.2996 *557.3429* 557.3429@5.224314 1 1 2164 1763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.3429 *557.3513* 557.3513@1.0395296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4004 4059 1 1 1 1 1 1 1 1 557.3513 *557.3967* 557.3967@1.2080206 1 1 2326 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 1503 1262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.3967 *557.401* 557.401@4.3246546 1 1 1 1 1 1 1074 1 1 1 2750 1 1 1 1 1 1 2043 1 1 1 2837 1 1 1 1 1 1750 2214 2002 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.401 *557.4129* 557.4129@1.2064464 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1166 7413 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6559 1298 1 1 1 1 1 1 1 1 1 1 557.4129 *557.4147* 557.4147@1.4562423 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.4147 *557.4718* 557.4718@1.0726109 1 1 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 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.4718 *557.4811* C29 H63 N7 O S 1810 1939 1193 1 2362 1861 3001 2274 2992 2489 2845 2293 1160 1 2756 2824 2887 3032 1257 1328 5072 5218 8220 9050 1641 1389 1 1 4619 4767 9073 8754 5197 5438 6572 6537 4374 4565 2396 2178 11359 10651 1 1 1 1 1 1 1072 1135 12331 12324 15173 14532 1190 1569 1 1 1 1 1 1 1 1 1511 1446 1 1 10131 9605 1296 1578 2128 2012 1 1246 1 1 2711 2706 4883 4880 10189 10500 1 1 4671 4859 5103 4702 557.4811 *557.67* 557.67@5.226818 1 1 1326 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.67 *557.8992* 557.8992@4.3461323 1 1 1 1 1 1 1 1 1 1 2145 2860 1 1 1 1 2423 1727 1 1 1490 2756 1 1 1 1 1 1 1758 2137 1 1 1 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 1 557.8992 *557.9018* 557.9018@4.24352 1 1 1 1 1 1 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 1 557.9018 *558.1425* C26 H38 O3 S5 1 1 14455 14481 12388 12423 12016 11972 16273 16704 16793 17953 1 8878 8688 8922 13872 14331 10788 10534 8077 8210 7090 7157 9775 10824 10950 10751 9246 1 11240 11193 16857 16108 17558 17309 17241 19359 1 1 1 20100 17224 15874 1 7210 1 11621 10032 9323 1 1 3731 5569 6479 7933 10699 11580 13369 12357 1 1654 11917 10936 2213 2335 3344 3720 27740 27790 1 1 1 1 10190 6240 1 1 1 1 1 1 1 1 1 1 1 1 3498 2762 558.1425 *558.3971* 558.3971@1.077023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.3971 *558.4287* 558.4287@1.0324025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 558.4287 *559.1078* 559.1078@2.9067416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 559.1078 *559.1235* 559.1235@2.9061775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.1235 *559.1326* 559.1326@2.9143107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2805 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 1 559.1326 *559.3713* 559.3713@4.118234 1 1 5387 6467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2249 2913 1 1 1 1 1 1 1 1 1 1 1 1 3489 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3765 4255 2311 1676 1 1 1 1 3604 3426 1 1 1 1 1 1 1 1 1 1 1 1 559.3713 *559.4076* C33 H57 N3 S2 6338 5157 37853 36152 6457 6817 2856 3591 2684 2591 2355 2233 4092 3496 2703 2738 2854 2165 5466 5598 1692 2337 2063 1934 8724 8567 1 2390 3402 3238 26728 25063 2735 3074 1544 1173 1562 2282 2447 2093 5345 5072 1980 2580 1 19305 2891 2605 3468 3857 2628 2751 4395 5044 2554 2474 1 1 2241 1504 4536 1 5679 1 1 3643 1342 1530 26823 27146 9639 10576 1027 1121 1 1165 16002 17835 1 4985 3506 3230 3619 1 1 1 1 2013 1840 2198 559.4076 *559.4081* 559.4081@1.4465249 1 1 3433 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 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 1951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 559.4081 *559.4096* 559.4096@1.2057319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5343 1 1 4059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 1 1 1294 1 1 1 559.4096 *559.465* 559.465@1.0295049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5299 1 1 1 1 1 2896 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 1 559.465 *560.0367* 560.0367@5.3839293 1 1 12973 12826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1 1 1 2267 2188 1 1 1 1 2334 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 3653 1146 1664 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.0367 *560.0376* 560.0376@5.4074125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.0376 *560.0396* 560.0396@5.5800962 1 1 60609 59917 2957 3441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26340 25480 1 1 1 1 20809 22135 1 1 1 1 2602 2421 1 1 1 1 1420 1327 18283 18835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24179 25333 15893 17744 1 1 1 1 11923 12206 1 1 1 1 1 1 1 1 1 1 1 1 560.0396 *560.0667* 560.0667@5.6377506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.0667 *560.1055* 560.1055@2.9085639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6040 3694 4394 4314 3881 3265 1 1 1 1 3901 3158 1 1 3522 3219 1796 1325 1 1 1 1 1 1 1733 3329 2139 1 1520 1 1 1 1316 2152 1698 1238 2075 2200 4346 3846 560.1055 *560.123* 560.123@2.8773925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.123 *560.138* 560.138@2.9272816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1763 2188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.138 *560.1479* 560.1479@2.9010985 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.1479 *560.3555* 560.3555@4.609181 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 560.3555 *560.3708* 560.3708@5.386845 1 1 9220 9968 1 1 1 1 1 1 1 1 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 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 3374 2027 2062 1996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3708 *560.3721* 560.3721@4.3279557 1 1 2960 2866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1662 1651 1809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3721 *560.3739* 560.3739@5.5798225 1 1 48377 49146 3144 3059 1 1 1 1 1 1 1817 1577 1 1 1 1 1 1 1 1 1 1 19467 19925 1 1 1 1 17243 16580 1 1 1 1 2259 2378 1 1 1 1 1 1 14591 14987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 17124 18357 13105 11475 1 1 1 1 9163 8449 1 1 1 1 1 1 1 1 1 1 1 1 560.3739 *560.3893* 560.3893@1.0202484 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5387 1 1 1 1 1 1 560.3893 *560.3999* 560.3999@1.0791674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.3999 *560.4077* C34 H57 Cl N2 O2 2738 1 1 1 2831 3023 2940 2969 1730 1410 4682 4515 1 1 1 1 1 1 1 1 1 1785 1 1 1 1 4064 3766 1556 1801 1 1694 1 1 1 1 1222 1096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3233 1904 1 1 1 1 3737 1 2345 2145 1 1 3869 3784 1 1 1 4211 2424 2611 1 1 1 1 1 1 1 1 1 1 3651 3182 1 1 4037 1654 1 1 560.4077 *560.4272* 560.4272@1.0084839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4355 1 1 1 1 1 1 1 560.4272 *560.4666* 560.4666@0.9805011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5207 1 1 1 1 1 1 1 560.4666 *560.7055* 560.7055@5.3831024 1 1 5038 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.7055 *560.7083* 560.7083@5.5780306 1 1 21612 22947 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11416 11999 1 1 1 1 9965 7272 1 1 1 1 1 1 1 1 1 1 1 1 6519 6572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8095 8770 7499 7755 1 1 1 1 4173 5362 1 1 1 1 1 1 1 1 1 1 1 1 560.7083 *560.8729* 560.8729@4.3291464 1 1 1597 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 560.8729 *561.3362* 561.3362@7.3669214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.3362 *561.3372* 561.3372@3.437914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4124 1 1 1 1 1 1 1 1 1 1 1 561.3372 *561.339* 561.339@3.3784773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3195 4165 1 1 1 1 1 1 1 1 1 1 561.339 *561.3879* 561.3879@1.2062231 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 561.3879 *561.4047* 561.4047@1.2073573 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.4047 *561.4233* 561.4233@1.0757924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.4233 *561.6916* 561.6916@5.575574 1 1 4380 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 1 1 1 1926 1 1 1 1 1 1 1 1 1 1 1 1 1915 1836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2753 2343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.6916 *561.6943* 561.6943@5.549879 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 1 1 1 1 1 1 1 1 1 1 1 561.6943 *562.1099* 562.1099@2.9009767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.1099 *562.2616* 562.2616@1.0664827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.2616 *562.294* 562.294@1.0705884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.294 *562.3717* 562.3717@1.1160083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1463 1 1 1 1 1 1 1 1 1 1 1 1 2929 1 1 1 1 1 1 1 562.3717 *562.3788* 562.3788@1.0020086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2154 2538 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 1 562.3788 *562.4184* 562.4184@1.0729867 1 1 1007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 562.4184 *562.4278* C35 H62 O S2 1 1 1 1 2141 2948 4796 4651 3065 2604 1 1 1 1 1776 1 1151 1133 1 1 2135 2775 1879 1838 1 1 7087 6482 2609 1 3938 4576 2787 1777 1 1 2685 2724 1046 1 1 2833 1 1 1 1 1545 1407 1 1 1 1 5656 6196 1 1 1 1 1 1116 1 1 1 1 1 5424 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1 1285 3293 4077 1 1 1 1 1638 1341 562.4278 *562.4369* 562.4369@1.0755897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1661 1807 1 1 1 1 3153 1 1 1 1 1 1 1 1 1 2886 1926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 562.4369 *563.2754* 563.2754@1.10878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1304 2031 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1969 1774 1 1 1 1 1 1 1 1 563.2754 *563.2909* 563.2909@1.0363913 1 1 1 1 1911 1 1 1 1 1606 1 1 1426 1 1399 1 1 2119 1256 1892 1 1709 1 1571 1 1 1 2003 1 1 1 3031 3317 1 1 1 1 1 1 1 3787 3402 1 1514 1120 1 1 1 1036 1545 2495 2250 1442 2583 1151 2318 1 1 1 1396 3695 3744 2652 3011 1 3263 1105 1 1742 1422 1 1437 1 1 1 1 1663 2075 1 1727 1 1377 1812 1 1 1 1 1 1207 1 563.2909 *563.3519* C25 H49 N5 O9 15299 14405 115006 113213 58907 58290 43045 45359 42122 43641 42264 41067 81298 80706 15723 14810 171480 175464 38639 40145 15630 16455 16538 16569 64315 63051 63007 62181 37665 36723 95261 94213 5748 5753 24027 24060 44232 42497 32005 33448 33124 32039 67309 66545 94970 94990 44379 44374 29448 28980 7398 8080 43979 43403 17742 16858 25818 26351 32917 31998 60483 56528 35844 34770 50741 51759 6619 5716 100792 103470 81563 82116 23692 21935 16973 17406 75452 75012 119110 123881 20567 18676 14073 12588 28373 29412 20377 20022 13264 12418 563.3519 *563.3524* 563.3524@4.5486064 1 1 2569 3118 1 1 1 1 1 1 2778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 2339 2795 1 1 1 1 1654 1412 1 1 1 1 1 2389 1681 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2229 3144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2655 1 1 1 1 1 563.3524 *563.3768* 563.3768@1.0472567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1956 1 1 1 1 1 1 563.3768 *563.4149* C40 H53 N O 7218 7188 11908 11140 5423 4689 4862 5857 5212 5753 8940 8173 4976 6117 4111 4005 6536 5883 5369 6132 5981 6560 4755 5183 5504 5706 8294 8841 7355 7604 6156 6488 11260 11405 4281 6973 8358 8556 8774 8383 6650 7294 6618 6120 9760 8687 8939 8949 8150 8115 7949 8361 9957 8636 19971 20513 15243 1799 10049 10919 9822 9309 12676 12282 11608 5882 13717 13321 9167 8897 14865 13523 10930 10746 11480 10604 10869 5831 10180 10904 14897 15405 11206 10657 11572 11562 8531 9674 7976 7905 563.4149 *563.416* 563.416@1.0407071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12764 1 1 1 1 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 1252 1 1 563.416 *564.14* 564.14@5.67115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 2019 564.14 *564.2328* 564.2328@1.1753802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.2328 *564.235* 564.235@1.4306222 1 1 1 1 1 1 1 1737 1 2126 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 1 1 1455 1 3106 3214 1 1 1 1 1147 1485 1 1 1 1 2679 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 1 564.235 *564.3098* 564.3098@2.2465503 1 1 2084 2374 1 1 1 1 1 1 2149 1 1 1894 1 1 1 1 2921 2310 1 1 1 1 6013 4457 1 1 1 1 13944 13727 1 1 1 1 1 1 2377 3264 1 1 2591 3354 6142 6043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8872 7089 1 1 1 1 1 1 14850 17225 4089 5040 1 1 1 1 3074 3371 1 1 1 1 1 1 1 1 1 1 1 1 564.3098 *564.3102* 564.3102@2.4372582 1 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 3879 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 5474 3214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.3102 *564.3125* 564.3125@2.5163462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 564.3125 *564.4157* 564.4157@0.992658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4318 1 1 1 1 1 1 1 1 1 1 1 4022 1 1 1 1 1 1 1 1 1 1 1 1 564.4157 *564.5587* 564.5587@1.0978495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.5587 *564.7108* 564.7108@5.538886 1 1 1372 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.7108 *565.0428* 565.0428@5.5383854 1 1 1367 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.0428 *565.2705* 565.2705@1.1971571 1 1 1 1 1 1 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 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 1823 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 565.2705 *565.4206* 565.4206@5.215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 565.4206 *565.8892* C19 H2 O19 S 39184 38784 38791 38450 38174 39652 37074 38680 40197 39764 38367 39346 39116 38851 37858 39850 37121 37541 39634 38856 40594 40021 40039 39590 37986 38137 39614 38611 37448 36831 38100 39469 40467 39569 38140 37709 38519 37452 40370 40448 40142 41639 38063 38531 39020 38031 37789 38126 39913 40943 55680 55458 48260 48557 44834 45661 42280 42519 41096 41332 55132 53719 41323 40063 49264 47873 48925 47953 39743 40247 61379 60808 40496 39606 44070 45127 56565 57239 53834 55934 59919 58788 56426 56770 58361 57252 54961 54699 46125 47365 565.8892 *566.0204* 566.0204@7.6878123 1 1 3804 3604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2047 2171 1 1 1 1 1947 1583 1 1 1 1 1511 1 1 1 1 1 1 1331 1971 2116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2203 2245 1 1818 1 1 1 1 1356 1 1 1 1 1 1 1 1 1 1 1 1 1 566.0204 *566.3558* 566.3558@7.687544 1 1 3192 3137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1738 1916 1 1 1 1 2188 1668 1 1 1 1 1353 1215 1 1 1 1 1541 1 1572 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2010 1801 1647 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3558 *566.3561* 566.3561@1.2768159 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3561 *566.3711* 566.3711@2.1068025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4940 4905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.3711 *566.6914* 566.6914@7.674512 1 1 1264 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 566.6914 *567.0159* 567.0159@5.5670066 1 1 22102 22091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7926 7580 1 1 1 1 6634 6210 1 1 1 1 1 1 1 1 1 1 1 1 5644 5318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8168 7967 6350 6081 1 1 1 1 2880 4365 1 1 1 1 1 1 1 1 1 1 1 1 567.0159 *567.3335* 567.3335@6.411508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3442 2782 1 1 1411 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.3335 *567.3515* 567.3515@5.5677953 1 1 17496 16970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6663 6448 1 1 1 1 6040 5461 1 1 1 1 1 1 1 1 1 1 1 1 6194 3311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6910 7612 5361 5803 1 1 1 1 3995 4655 1 1 1 1 1 1 1 1 1 1 1 1 567.3515 *567.381* C21 H49 N11 O7 1 1 130988 129243 14535 15804 6747 7761 1481 1 1 1648 18614 19513 3560 5191 10430 8971 10643 9818 4868 3797 1870 1 51080 50514 2160 1 3307 3696 78181 79145 1 1 3158 1 3848 2866 2466 3020 6954 6437 8470 7876 66949 67218 8993 5204 4636 1135 1646 4012 10669 10619 1 2909 3010 2301 3423 2395 8658 9764 11432 9871 10799 12437 3377 1 89378 91142 65268 65176 1 1 1 1 54868 54034 6596 7542 1 1404 2792 1906 1 1698 1 1 1 1 567.381 *567.3817* 567.3817@4.3014727 1 1 18464 18933 2369 1 1634 1673 1 1 1 1 1 1879 1 1596 1 1035 1 1 1 1 1326 1 7053 5928 3250 1 1 1779 6569 8007 1 1 2520 1 3159 1 2297 2411 1 1 2101 3462 1 8285 2018 1 1764 1 1888 3207 1 2421 1 2577 1 1 1 1 1 1 1 1 1 1 1153 1 4476 2409 6709 7055 1 1 1 1 1517 2004 1 1 1 1585 1 1 1 2613 1 1 1 1 567.3817 *567.382* 567.382@4.245693 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 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 1 1 1 1 1 1 6047 4471 1 1 1 1 1 1 1 2961 1 1 1 1 1 1 1 1 1 1 1 1 567.382 *567.4542* 567.4542@1.2035726 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.4542 *567.4671* 567.4671@1.2037609 1964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1118 1316 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1035 1 1 1 1 1 1 1 1 1474 1212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.4671 *567.6194* 567.6194@6.7749524 1 1 1405 1316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.6194 *567.6851* 567.6851@5.5672956 1 1 7680 10548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4223 4230 1 1 1 1 3671 2034 1 1 1 1 1 1 1 1 1 1 1 1 2031 1920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 4180 2940 2435 1 1 1 1 2533 1731 1 1 1 1 1 1 1 1 1 1 1 1 567.6851 *567.8822* 567.8822@4.176255 1 1 9163 8426 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 5081 1 1 1 1 1 1 1 1 1 1 2149 2160 1296 3724 1 1 1 1 1 1 1014 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3350 4119 3106 1 1 1 1 3258 1 1 1 1 1 1 1 1 1 1 1 1 1 567.8822 *567.8828* C26 O12 S2 1 1 72471 74021 8868 8353 3745 5411 1 1 1 1 9930 12248 1096 1 5572 4934 6382 4443 1479 1604 1 1 30080 28669 1 1 2246 1 43526 45591 1 1 1 1 1 1884 1 1 3667 4273 4438 4688 37648 35896 4155 1 1 1 1 1 5632 6165 1 1 1 1 1 1 4671 5329 6253 6104 6693 6842 1 1 48279 51382 36635 36404 1 1 1 1 30967 33052 4269 5018 1 1 1 1 1 1 1 1 1 1 567.8828 *567.8843* 567.8843@4.2736144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.8843 *568.3095* 568.3095@4.655382 1 1 2675 1 1 1 1 1 1 1 1 1 1503 1621 1 1 1 1 1 1 1 1 1 1 1317 1228 1162 1 1 1 1603 2134 1 1 1 1 1 1 1 1 1 1 1357 1311 2279 2242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 2248 1757 1628 1 1 1 1 1400 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3095 *568.3825* 568.3825@4.2967167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 568.3825 *568.6685* 568.6685@5.5736656 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 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 568.6685 *569.4159* 569.4159@1.0308338 1 1 1 1 1784 1 1 1 1 1 1 1 1 1254 2886 1828 1 1 1 1663 1 1 1 1 1 1 1 1 1472 2662 3478 3428 2782 1 1 1 1 1 1 1 3016 3162 1 1 1 1 1 1 1 1 2269 1566 1873 2146 1 1 1 1 1 1 1 2806 2205 2013 2385 1287 1 1 1794 2076 1264 1 1 1 1 1 1 1 1 1 1 1 1 3543 1 1 1 1 1 1 569.4159 *569.4499* C33 H63 N O4 S 2870 1 7081 6878 1 1 1 1 3208 1 7320 1 1107 1 4849 4183 1 1 1 1 2198 2229 5258 5223 3855 4529 1 13247 9522 9462 2929 2916 1 1002 3246 3329 1 1398 1 2357 1 1 7294 7329 3381 3135 1 1 1 1 1784 1 2378 2618 3697 3236 3272 3048 8910 8946 1954 2001 1 1 1278 1418 1983 2195 3023 3229 2552 2560 1266 1090 1 1 1674 1783 1336 1 4864 5067 8112 7696 2377 2650 1226 1815 1 1 569.4499 *569.4618* 569.4618@3.8956416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.4618 *569.8638* 569.8638@4.294178 1 1 1889 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 569.8638 *570.0434* 570.0434@5.765875 1 1 1 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.0434 *570.38* 570.38@5.766123 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.38 *570.4218* 570.4218@4.113031 1 3957 1 1 8127 4719 1 1 1 6136 1 3037 1 1 1 1 3446 1527 3798 1 1 1340 1 4180 1 1 1 1 1 3142 1 1 1 5282 2451 1 1 4283 1494 1 1 1 1361 2248 1 3636 4427 1 1 5815 1 1 1 1 1 3341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2031 5152 1 1 1 6862 1 2949 1 1 1 1 1 1 1 1 1 570.4218 *570.4221* 570.4221@3.957338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1605 1 1 1 1911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2332 1 1 1 1 1 1 5609 5583 1 1 5757 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 2735 1 1 1 1 1 1 1 1 1 570.4221 *570.4228* C27 H54 N8 O5 16767 7974 15866 13723 8948 7608 10348 16173 14518 9684 16165 12292 14831 6226 9694 7487 10814 14584 9820 15741 13184 13784 16579 9845 8803 16788 13477 1 11057 12667 1 6138 14975 7736 12078 12107 12321 9461 12591 12331 11339 14219 15933 14750 3532 12408 12935 19874 18514 12483 21898 24678 20585 16668 15990 16495 19189 15081 5996 17468 9659 6716 8592 5753 2646 8768 10116 9391 7807 7349 11882 11096 8520 6557 1534 7755 8507 10558 5072 8690 5265 9367 8988 5749 11174 10569 6851 3808 1 8638 570.4228 *570.4229* C28 H50 N12 O 4510 4301 1686 2721 1432 4316 2608 1235 5343 1764 3094 2815 1505 9747 2806 1 2310 1873 9547 1865 1 2559 7388 2253 11765 2653 3696 1 4075 4868 3157 5834 10170 3400 1828 1015 2864 2018 3107 1 1765 6152 4480 2495 6826 1926 1682 13066 1 1273 10726 6156 1 2014 2870 2821 2129 4839 5080 6655 2376 4346 2629 1699 1762 6628 5582 1 8024 5994 1 2194 4233 2393 3604 3323 2391 6618 4265 1032 2896 4556 1083 1874 1 8565 1097 1782 1 5462 570.4229 *570.4239* C28 H50 N12 O + 4.031227 1 5672 8197 6891 5958 2629 1 1 6105 1509 11237 5536 1 6309 2107 1 4528 2718 4201 1397 1 4360 1 1251 6479 2845 1002 1 1 4324 1 6471 1 2344 4304 1 4461 3938 1107 1783 4299 1 3655 5018 1 2910 7735 1 1 6374 1 3410 1 4995 4210 10415 11590 1 1 1 3525 4084 1 1891 1 1 1 1 1 2009 1 4196 1 1286 1448 1 1 1 2921 1 3354 1 1072 4620 1 1 5079 1696 1 1670 570.4239 *570.4246* 570.4246@4.1549683 1 1 1 1 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 1362 1 1 1 1 1 1 1038 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 1 570.4246 *570.9222* 570.9222@4.0421557 1 1 1 1 1 1 1 1 1 1 1375 1 2346 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 2871 1 1 1 1 1 1 1353 1 2246 1 1 1 1188 1 1660 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.9222 *570.9223* 570.9223@3.9788344 1 1 1 2295 2141 2360 1 1 1 1 2318 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 2405 1 1 1 1 1021 1 1 1 1444 1 1 1 1 1381 1 1107 1 1008 1 1 1690 1654 1 3017 1 1 1 3052 1 3221 1 1 1 1 1109 1 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 5053 1 1 1 1 1 1 1 1 1 1 1 1 1 570.9223 *570.9232* 570.9232@3.8232315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 570.9232 *570.9239* C33 H N O6 S2 1 8696 1 6776 1849 2654 1 2058 3909 8048 6183 1919 4652 3092 1 1 1229 2254 1053 3888 1 4676 7930 1 3133 2344 4504 2581 3389 1 8074 2218 1178 3499 3798 1850 4829 1 1 2798 1604 2656 1 1031 2500 4818 2102 6695 1186 2868 6563 3318 1 4149 2960 11483 1 1 9840 5922 1236 1 1082 1 1937 3452 1190 1 7150 1 1 3072 1 1374 1 1 3250 7478 1 2457 1 1293 1094 2680 1390 1 4572 1560 1 1 570.9239 *570.9242* C33 H N O6 S2 + 4.156445 1 1 8294 1383 6176 6052 7338 1 2716 1 3121 1 1924 1921 6699 1 5168 4608 2743 1 7767 1 1 1 8029 3310 1 6146 1 2090 1 1760 6094 1 1600 1 7130 3298 8016 3366 7574 4870 1 9380 10802 6965 10154 3171 1724 11884 11088 8673 3045 6778 7258 2079 1 1 1 11749 1326 1 3467 3749 3558 6364 1654 7641 2026 2264 1 2432 2635 1 1 1 2298 1 1 5177 1 1 1 1 4190 1 1 1 4034 1 570.9242 *570.926* 570.926@3.8092706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 570.926 *571.3565* 571.3565@1.0429289 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 571.3565 *571.4255* 571.4255@4.164347 1 3790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4274 1 1 1 1 1 1 1 4882 1 1 1 1 1514 1 1542 1 1436 1 2266 1 1 1 1 1 1 1 1170 1020 1 4048 1 1 1 1 1 1255 1 1 1 1 1 1 1 1 1 1 1 1 1 1896 1 1 1 1 1 1 1 1 1 1 1 1 1694 1 1 1 571.4255 *571.4258* 571.4258@4.0564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1129 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 1 1 1 1 1 1 1 1 1 1 1 1 1 571.4258 *571.4277* 571.4277@1.9199312 1 1 1 1 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 1 571.4277 *571.4283* 571.4283@1.4002815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.4283 *572.0136* 572.0136@5.3034334 1 1 1623 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 1 1 1 1 1 1 572.0136 *572.11* 572.11@1.765548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1820 1854 1 1 1 1 1 1 1 1 1 1 572.11 *572.1537* 572.1537@2.077 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 572.1537 *572.348* 572.348@5.3029327 1 1 1599 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.348 *572.3967* 572.3967@1.2050884 1 1 5771 5709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 1 3780 3182 1 1 1 1 1 1 1 1 1 1 1 1 3091 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3849 4233 1 1 1 1 1 1 3553 1 1 1 1 1 1 1 1 1 1 1 1 1 572.3967 *572.4037* 572.4037@4.4523835 1 1 1 1 1 1 1 1 1 1 1878 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 3664 3251 1392 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 1 1 1 1 1 1 572.4037 *572.4107* 572.4107@4.42272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.4107 *572.4493* 572.4493@1.0495095 1 1 1 1 1 2455 1 1 1 1 3052 2659 1 1 1 1 1 1 1 1 1 2810 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 3684 1 1 1 3027 1 1526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 572.4493 *572.4584* Dihydroxylycopene/ OH-Rhodopin 4964 5058 3746 3974 4059 4594 5481 3785 3990 4132 5841 4887 2681 2842 2533 2894 5273 4321 4882 4624 4650 3500 5253 4342 5766 5126 6803 5139 4055 5926 6271 5944 3073 7761 7083 7930 8623 9104 8104 8688 7691 6829 5736 6628 5481 4851 6918 6714 7420 7121 6546 5563 6430 8084 8129 7940 10076 9359 6712 6285 3621 4813 4027 2733 4893 4454 5467 5690 6074 4593 1915 5294 5687 5760 3971 4253 4351 4042 4437 4784 4645 4532 5538 5328 4746 4716 4037 5886 3803 4104 572.4584 *572.4624* 572.4624@1.0013093 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 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 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 1 572.4624 *572.9026* 572.9026@4.432516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 572.9026 *573.1541* 573.1541@2.0804396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2240 1 1 1 1 1 1 1 1 1 1 573.1541 *573.1874* 573.1874@2.3933284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3793 3964 1 1 1 1 1 1 1 1 1 1 573.1874 *573.3142* 573.3142@1.0463114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 573.3142 *573.3382* 573.3382@1.0491096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 573.3382 *573.3884* 573.3884@1.1675849 1 1 4173 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 1 3945 4257 1 1 1 1 1 1 1 1 1 1 1 1 3855 6026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17512 3638 1 1 1 1 1 1 3857 3832 1 1 1 1 1 1 1 1 1 1 1 1 573.3884 *573.4019* 573.4019@1.2027447 1 1 2000 24579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1514 1 1 1 1 1 1 1 1 1 1 1 1 1483 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 1 573.4019 *573.471* 573.471@1.435294 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.471 *573.9923* 573.9923@5.563058 1 1 5947 5704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1957 1 1 1 1 2790 1282 1 1 1 1 1 1 1 1 1 1 1 1 1083 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1960 1426 1979 1 1 1 1 1229 1 1 1 1 1 1 1 1 1 1 1 1 1 573.9923 *574.0998* C44 H14 O2 1951 1867 1441 1686 2142 2057 2086 1874 1641 1786 1820 2435 1 1 1 1 1692 1988 1513 1 1 1008 1128 1 1643 2197 1713 1 1616 1639 1 1 1304 1088 1761 1917 2258 2175 1 1 1658 1986 1513 1599 1146 1388 2232 1766 1315 1085 1 1 1 1 1 1 1244 1 1574 1699 1 1 1 1 1 1 1 1 2409 2601 1 1 1 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.0998 *574.3255* 574.3255@5.5625176 1 1 5064 5311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1973 1961 1 1 1 1 1649 1416 1 1 1 1 1 1 1 1 1 1 1 1 1097 1275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1819 1845 1565 1630 1 1 1 1 1232 1 1 1 1 1 1 1 1 1 1 1 1 1 574.3255 *574.3893* 574.3893@4.2579107 1 1 8260 9307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 2665 1 1 1 1 5267 5802 1 1 1 1 1 1 1 1 1 1 1 1 5251 4299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5803 5736 3737 3159 1 1 1 1 2414 2876 1 1 1 1 1 1 1 1 1 1 1 1 574.3893 *574.4052* 574.4052@1.0158648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4586 1 1 1 1 1 1 574.4052 *574.4592* 574.4592@1.06076 1 1 1 1 1294 1 1207 1 1 1 1 1 1 1 1 1 1 1 1 1 1175 1 1 1 1 1 1926 1589 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 2077 1 1 1 1 1 1 1 1 1 1 2740 1 1 1 1 1 1 1340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.4592 *574.6649* 574.6649@5.5286527 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.6649 *574.6742* 574.6742@5.5670166 1 1 3106 3563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1494 1059 1 1 1 1 1 1126 1 1 1 1 1 1 1 1 1 1 1 1 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 1098 1027 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.6742 *574.7123* 574.7123@5.713195 1 1 109389 108378 6666 6631 1 1 1 1 1 1 2830 3763 1 1 1 1 1 1 1 1 1 1 33738 42520 1 1 1 1 35111 35776 1 1 1 1 4523 5037 1 1 1 1 2093 2096 29032 30968 1 1 1 1 1 1 1934 1900 1 1 1 1 1 1 1 1 2193 2261 2929 2211 1 1 27694 38989 34714 35266 1 1 1 1 24681 24770 1 1 1 1 1 1 1 1 1 1 1 1 574.7123 *574.7134* 574.7134@5.5924387 1 1 1852 1788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.7134 *574.8915* 574.8915@4.2560153 1 1 3878 4159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 2417 2395 1 1 1 1 1 1 1 1 1 1 1 1 1757 1972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2795 2642 1 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 574.8915 *575.0149* 575.0149@5.566456 1 1 1966 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 1 575.0149 *575.0298* 575.0298@4.693046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1147 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.0298 *575.0459* 575.0459@5.7127943 1 1 86017 85269 5618 5215 1 1 1 1 1 1 2799 2684 1 1 1 1 1236 1530 1 1 1 1 35094 33748 1 1 1 1 28555 27836 1 1 1 1 3809 3807 1 1 1 1 1 1 23631 23865 1 1 1 1 1 1 1349 1379 1 1 1 1 1 1 1 1 1865 1868 2772 2397 1 1 32704 32521 26469 27198 1 1 1 1 19812 19955 1 1 1 1 1 1 1 1 1 1 1 1 575.0459 *575.046* 575.046@5.4461865 1 1 1841 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.046 *575.3688* 575.3688@5.5690274 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.3688 *575.3691* 575.3691@4.7338686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.3691 *575.3815* 575.3815@5.7116327 1 1 55587 53579 2935 3449 1 1 1 1 1 1 1700 1803 1 1 1 1 1 1 1 1 1 1 21541 20802 1 1 1 1 17415 17856 1 1 1 1 2407 1 1 1 1 1 1 1 15328 15329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1413 1 1 1 15913 19636 16639 18605 1 1 1 1 9841 12204 1 1 1 1 1 1 1 1 1 1 1 1 575.3815 *575.3825* 575.3825@4.3649406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2204 1728 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.3825 *575.386* 575.386@5.447687 1 1 2162 1132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.386 *575.3952* 575.3952@1.0389359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2712 1 1 1 1 1 1 1 1 575.3952 *575.4025* C30 H57 N O9 4927 4757 30277 1 8578 8788 8580 7939 7520 6806 6774 7284 7595 7386 7862 7398 6728 6510 7891 8580 6605 6819 8963 8650 12463 12929 4584 5016 7598 7262 18921 19934 6796 7675 6321 6989 8102 7405 6848 6498 8637 8894 6858 7242 19621 20197 7849 8707 8870 8194 8819 8865 8478 8635 8740 8867 8155 7934 15355 16105 5398 4990 8843 7800 5801 5994 4177 4212 1 18005 9893 9639 1 3846 3956 4305 12685 13270 8118 7914 5801 6020 9378 9625 3929 1 1 3653 5132 5349 575.4025 *575.4028* 575.4028@1.625355 1 1 2020 4420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2629 2299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4028 *575.4373* 575.4373@1.0636096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.4373 *575.6475* 575.6475@5.56495 1 1 2783 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.6475 *575.9801* 575.9801@5.5644493 1 1 1576 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 575.9801 *576.2318* 576.2318@1.1554284 1216 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 3734 3944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2347 1411 1 1 1 1 1 1 2067 2194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.2318 *576.315* 576.315@5.5599933 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.315 *576.3606* C40 H48 O3 4957 4839 57807 58169 17523 15565 12270 11793 11558 11159 9099 9685 14700 14584 4437 4550 5802 6438 8669 12764 5836 5725 4507 4448 32110 34046 5674 5367 6468 6014 36173 36277 3821 3655 5671 5265 16737 12844 6836 9265 11214 10269 14187 14462 38138 39840 11557 12153 7888 7547 5325 5258 14585 16292 5906 5953 7496 7519 6198 5819 13428 8718 13046 11853 14510 14876 3594 5096 48147 45904 29754 31115 4901 4629 4574 4327 24652 25907 9892 9715 4423 4904 4440 4382 7131 9590 5288 5147 3687 4355 576.3606 *576.3654* 576.3654@5.920879 1 1 1437 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3462 1080 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 1 576.3654 *576.3693* C31 H60 O3 S3 1 1 1 1 1392 1156 1666 2035 3137 2830 1 1 1 1 1 1 1338 1 1 1 7125 7203 3809 3611 1 1 1 1 1 1 2663 2488 1 1 1 1 1888 1867 2452 1 10860 10642 1 1 1 1 1 1 1 1 4372 4030 5300 5728 1 1 1 1 1 1 1 1 1 1 1781 2039 1 1153 5176 4767 1 1 1 1 1 1 1 1 6230 5255 9748 8907 24266 23724 1 1 1604 1787 3399 3382 576.3693 *576.3759* 576.3759@4.7011147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1146 1 1 1 1 1 1 1 1 1 576.3759 *576.3803* 576.3803@1.0283303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.3803 *576.4072* 576.4072@1.2107604 1 1 1 9145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.4072 *576.4364* 576.4364@1.1919353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8594 8154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.4364 *576.4651* 576.4651@1.0643194 1 1 1 1 1 1 1772 2511 1 2102 1594 1 1 1 1 1 1 1 1 1 1 1707 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4093 1 1 1 1 2758 1 1 1 1 1 1 1 1 1 1 1918 1353 1 1 1 1 1 1 1 1 1 1 1 1232 1723 1 1 1 1 1 1 576.4651 *576.47* 576.47@1.0634688 1 1 1 1 1955 2251 1 1 2606 1 1 2147 1 1 1 1 1 1 1 1 2133 1 1 1 1 1 5104 6007 1 1229 1 1 1 1 1 1 2220 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4020 1 1 1 1 1 1 2216 1676 2402 1 1 4030 4620 1 1 2298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.47 *576.8427* 576.8427@5.093396 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 2813 2410 1 1 1 1 1 1 1 1 1 1 1 1 1207 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1224 1 1 1 1 1 1 3852 3465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.8427 *576.862* C23 H3 N3 O6 S5 2420 2705 28846 28613 7512 6911 5107 5001 4730 4861 5440 5325 8777 8880 2311 2367 3266 3239 5548 5374 3288 2612 2474 2216 17138 16239 3783 3874 3435 3181 18142 17287 2033 2173 3640 3159 7245 7780 3630 3729 4377 4446 9094 9160 17971 18706 6669 6088 3826 3810 2815 2559 6793 6769 3155 3271 4348 4010 2944 3347 4498 4404 4915 5511 6963 6689 1801 1877 23916 21766 15202 15360 2132 2563 2325 2625 12086 12621 5468 5175 2534 2980 2566 2497 4237 3605 3178 2653 1973 1966 576.862 *576.9414* 576.9414@1.1889998 1084 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 2930 3638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.9414 *577.0309* 577.0309@5.707868 1 1 5149 3918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 577.0309 *577.1278* 577.1278@1.9404886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1089 1 1 1 1 1 1 1 1 1 1 577.1278 *577.3069* 577.3069@2.9110408 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 1692 1 1 1569 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 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.3069 *577.3311* 577.3311@6.402095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36774 36184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.3311 *577.3442* C36 H43 N5 O2 2416 1956 1 1 1 1 1 1 1 1 4472 4247 8150 8023 1995 1903 1 1 4021 1 2857 2220 1906 2173 1 1 3109 3427 4574 4479 1 1 1549 1274 2118 2115 1 1 2592 1 1 1 6841 7178 1 1 5196 4255 3157 3426 2556 2274 1320 1 3071 2966 3830 4083 3056 2961 1 4582 1 1 1 1 1421 1 1 1 1 1 2238 2199 2316 2042 1 1 5724 5563 1922 1862 1698 1642 2609 1 2265 1 1921 2140 577.3442 *577.3448* 577.3448@5.090166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 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 1792 1897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.3448 *577.3531* 577.3531@6.4108477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.3531 *577.4068* 577.4068@0.9926967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2812 2247 1 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 577.4068 *577.4281* 577.4281@1.2055677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 577.4281 *578.0159* 578.0159@5.703586 1 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.0159 *578.124* 578.124@1.9424882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1360 1 1 1 1 1 1 1 1 1 1 578.124 *578.2486* 578.2486@1.1558262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.2486 *578.3557* 578.3557@5.707604 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.3557 *578.4183* 578.4183@3.9893515 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.4183 *578.4187* 578.4187@4.0182633 1 1 1 1 1587 1 1 1 1 1 1 1 1067 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 1 1 1 3421 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 1 1 1 2262 1 1 1 2275 1 1 1 1 1 1 1 1 1 578.4187 *578.4195* 578.4195@4.116373 1 1 1 1 1 1 1 1 1 1 1 1 3162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.4195 *578.4199* C20 H50 N16 O4 1 1444 2534 1 1326 1 1 1 1 1 2364 1 2955 3348 5309 6317 1 2078 3582 7090 2637 1 1301 5102 1 2277 4461 2212 1 2723 1 1 6359 3373 7298 3263 2569 4262 1332 3767 1 1 1 1839 4370 3778 1454 4330 3946 6769 5649 9547 2827 3802 1 1 6384 5051 2344 1 1 1 1 1 1 1309 1 1 1 1 1 1 3494 1 1 1600 3782 3401 1695 1 1351 1 1 1 1563 3196 1 2113 1 3846 578.4199 *578.4201* C28 H62 N6 S3 7874 7322 3513 7104 7059 6861 6209 6355 7019 6970 7218 4550 2642 4685 5703 6584 6130 7513 7459 10059 5344 5505 7094 6490 7753 7626 3593 5720 6672 6733 4621 5796 5598 9694 8825 8118 3089 8099 6018 5516 6863 2408 7152 6735 9811 6769 9694 8897 10470 4216 7821 9839 10741 6492 9758 8460 7830 8045 8295 5721 3856 1 1 1425 4846 4604 1895 5163 5829 4796 5350 6614 3717 4727 3883 6444 6635 5671 1766 6289 3590 7045 2358 6219 5021 7722 1 6259 5300 6012 578.4201 *578.4209* 578.4209@4.242129 1 1 4118 1 3178 1 1 1 1 1 1941 1 3351 1 1 1 1 1 1 1 1 1 1 2366 1 1 1 1 1 2395 1 1 1 1 1 1 1 1640 1 1 1 1 1 1 1669 1 2325 1 1 6406 1 1 1 1265 1 1 1 1 1060 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 3469 1 1 1 1 1 1 1 1 1 1 1 578.4209 *578.6277* 578.6277@6.852645 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.6277 *578.8425* 578.8425@6.4241943 1 1 1 1373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.8425 *578.9216* C23 H N O18 5640 4057 2560 3535 3352 4475 3013 1469 1698 5610 5634 1 1744 4217 4383 1 3561 3004 4906 1428 5819 1 1 4843 4669 1333 1794 1 1427 5931 1 7153 5009 4300 6123 4530 3699 3895 2522 1 1 2752 1 4007 4645 6408 6242 1889 4782 4801 5847 5386 3551 6939 4032 1 4747 1991 4399 4509 1488 1131 1695 1 2040 1 1 1 1 1 1 1 1 1 1 1 1240 2760 1 1 1795 3333 1 1 1329 1777 1 1 2320 1 578.9216 *578.9221* 578.9221@4.257477 1 1 1 1 1 1 1 3571 1 1 1146 1 4335 1 1 1 1 1 1 1 1 1 1 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 1 1 3517 2047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.9221 *578.9223* 578.9223@4.2424803 1 1 1 1 1 1 1 1704 1 1 1080 1 1293 1 3248 1 1891 1 2056 1 1302 1 1 1 1 5284 4640 1 1 2036 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 1 1235 1818 3421 1837 3101 1 1 1127 1 2176 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 1488 1 1 1 1 1 578.9223 *579.1075* 579.1075@2.0695796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.1075 *579.3851* 579.3851@5.6653843 1 1 5707 6693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1769 1658 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2041 1030 1 1731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.3851 *579.4131* 579.4131@4.4381375 1 1 1 1 1 1 1 1 1 1 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 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.4131 *579.4161* 579.4161@4.4374814 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 2713 1 1 1458 1 1 4218 2377 1 1 1 1 1 1 2864 2353 1 1 2979 1 1 1 1 1 1128 2179 1 1 1 2278 1 1 1147 1 1 1 1 2092 1 1 1753 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 1 579.4161 *579.7165* 579.7165@5.6607265 1 1 4955 5138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 1643 1 1 1 1 2035 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.7165 *579.9027* 579.9027@5.4813704 1 4450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.9027 *579.9079* C20 H4 O19 S 4591 1 4080 3773 4228 3779 3747 3705 4203 3741 4445 4202 3914 4164 3755 4191 3696 4170 3996 4305 4430 4039 4088 3920 3969 3788 3980 4018 4105 3643 3683 3879 4474 4277 3589 3985 3732 3861 4013 4173 4284 4373 3758 3748 3901 4085 4029 3766 4175 3794 7203 7012 5914 5188 5382 4963 4316 4349 4058 3925 6842 6578 4218 4471 5677 5275 5519 5575 4279 3838 8075 8509 4261 3854 4997 5200 7569 7445 6913 7183 8483 7746 7114 6984 7863 7873 7331 7358 5218 5387 579.9079 *579.9134* 579.9134@4.4702744 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 3413 1 1 1 1 1 1 1 1 1 1 1 1 1 1440 3494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.9134 *579.9145* 579.9145@4.407635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.9145 *580.0479* 580.0479@5.666709 1 1 2637 2567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.0479 *580.2338* C20 H38 Cl2 N12 O2 S 3117 3238 1130 3165 3680 2131 4466 6644 2153 3031 2911 2423 1 1 1887 3284 1 1 4136 2044 1924 1789 1 1 1858 2267 2174 3230 3009 3391 2786 1805 5487 3511 1996 1027 2003 1867 1 1 3099 3107 1 1 2704 1654 4143 4379 2994 4595 1767 1224 8023 7224 2107 1969 2425 1632 4785 4952 3726 3410 2147 2174 3480 3470 1 1 3044 2845 2435 2600 3299 3202 1712 2325 1107 1 1 1 1 1 1 1872 1 1 4669 4325 1 1 580.2338 *580.236* 580.236@1.147886 1 1 1971 1 1 1615 2350 1 1 1 1 1 1 1 1054 1 1 1 1 1292 1 1 1 1 1 1 1502 1 1 1 1 1090 1 1520 1 1 1 1 1 1 1 1 1 1 1 1140 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 1 1 1 1 1 1 1 1 580.236 *580.5539* 580.5539@1.1491514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32170 31332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 580.5539 *580.6965* 580.6965@7.7853084 1 1 3220 3034 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1704 1 1 1 1 2020 1383 1 1 1 1 1 1480 1 1 1 1 1 1 1829 1952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1843 1 1387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.6965 *580.9699* 580.9699@5.562944 1 1 3620 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 580.9699 *581.0303* 581.0303@7.7869706 1 1 2655 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1738 1352 1 1 1 1 1213 1 1 1 1 1 1 1 1362 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588 1508 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.0303 *581.2383* 581.2383@1.1857842 5076 4875 4735 5344 5992 6496 12850 6411 2343 4958 1994 1872 1 1 4522 4805 1398 1 6078 3569 2784 1882 2344 1217 1860 1953 3356 2287 3341 4464 4134 4722 10873 10817 1851 2124 2492 1683 1411 1352 2280 4224 2514 2444 2271 1607 4444 4504 9295 4992 1582 1535 15399 13137 2781 3081 3976 5409 5333 4743 4322 3754 2540 3694 3567 3345 1 1 2848 2608 4569 2740 5364 5524 4642 4052 1742 1764 1 1 1 1215 2701 1454 1 1 11268 10429 1 1 581.2383 *581.2403* 581.2403@1.0538645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1014 1 1 581.2403 *581.2494* 581.2494@1.0538113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.2494 *581.3019* 581.3019@5.56194 1 1 2182 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.3019 *581.3192* 581.3192@1.0195519 1 1 2901 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 1831 1431 1 1 1 1 1 1 1 1 1 1 1 1 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 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.3192 *581.3654* 581.3654@7.77417 1 1 1268 1047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.3654 *581.6412* 581.6412@5.5614395 1 1 2045 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 1 1 1 1 1 1 1 581.6412 *581.8575* 581.8575@5.5392423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1038 1 1075 1 1 1 1 1 1034 1 1 1005 1 1 581.8575 *582.2039* C39 H26 N4 O2 1 1 1252 1 1219 1 1950 2017 1867 1874 1587 1467 3732 3547 2232 2570 1987 1827 1977 2033 1183 1 1121 1360 3493 2886 1848 1501 2329 2672 4741 4936 1 1 1413 1538 1414 1 1 1 1969 1706 1491 1829 2932 3024 2970 2308 1 1 1599 1432 1883 1 2276 2327 1723 1570 2200 1544 4261 5377 1885 1750 4860 5497 1840 1753 1532 1 1 1 2052 2374 2290 2525 2053 2033 1 1 1349 1 1653 1526 1 1 2167 2322 4453 4327 582.2039 *582.2452* 582.2452@1.1882083 1 1 1 1 1 1 1 6383 1507 1 2090 2223 1 1 1 1 1 1 1 4263 1 1759 1 1427 2175 2222 3001 2868 3370 1 1 1 1 1 1772 1 1 1513 1251 1 2770 1 1 1 1519 1810 4115 4524 1 4577 1990 1681 1 1 1 1 1 1 5271 5024 5419 5657 1 1 2457 4057 1 1 3057 1616 1 3328 1 1 1 1 1 1801 1 1 1 1 1 1919 1 1786 1 1 1 1317 582.2452 *582.2462* 582.2462@1.6375494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 582.2462 *582.2471* 582.2471@1.505726 1 1 1 1 1 1 3194 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 1747 2221 1 1 1 1 1 1 2683 3725 1 1 1 1 1858 1614 1383 1 1 1 7250 6473 1 1 1 1 1 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 2218 1 1 1 582.2471 *582.2861* 582.2861@6.3986893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.2861 *582.3654* 582.3654@2.1968932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3807 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 1 1 1 1 1 1 1 1 1 582.3654 *582.376* 582.376@4.7252884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1906 1358 1223 1277 1415 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 582.376 *582.3847* 582.3847@4.451211 1 1 2813 3926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1254 1616 1 1 1 1 1 1 1 1 1 1 1 1 1415 1394 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1735 1959 1426 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.3847 *582.3858* 582.3858@4.1418853 1 1 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.3858 *582.8684* 582.8684@4.7307134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.8684 *582.8879* 582.8879@4.4595532 1 1 2136 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.8879 *583.2554* 583.2554@1.0815743 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.2554 *583.2559* 583.2559@1.0515106 27256 26031 13284 27276 21229 21835 39061 39172 25487 26134 33353 33445 20514 19756 24169 23801 14579 14618 39393 41963 25630 25808 17392 17881 14854 7454 19339 40306 29539 28787 9223 20972 19234 19370 20016 19301 21492 22203 17915 18033 20416 18681 15319 16126 28367 27392 16154 32561 20012 41286 19763 10019 33002 32263 12793 6088 17967 8832 18895 18989 19325 18597 11486 20944 14003 14226 1826 1905 11476 11836 14064 14661 13436 11604 19336 19557 14123 6978 5058 11004 17101 7794 11883 11995 7140 12188 26271 25768 17385 8624 583.2559 *583.2565* 583.2565@1.16042 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 1784 1 1 1 1 1 1 1 1 1 1 1 4724 1 1 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1712 1 1 1810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.2565 *583.4624* 583.4624@1.2027048 2129 1 2617 1961 1 1 1 1 2204 2485 1 1 1 1 1 1 1 1 2810 2652 1 1 1 1 1 1 2241 2501 1 3278 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 1 1 1 1 1553 1 1 1 1 1 1824 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 4493 4792 1 1 1507 1099 1 1 583.4624 *583.4657* 583.4657@1.2065872 3925 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.4657 *584.2618* Bilirubin 1 1 14292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7894 19806 1 1 1 10149 1 23254 22617 1 1 1 1 1 1 25778 24821 1 1 1 1 15797 1 20981 1 1 10452 39556 39162 1 6105 1 8747 21868 21728 22550 22354 13404 1 17752 16705 2188 1311 13533 14985 19524 18280 15002 14895 1 1 1 7309 5310 1 1 9554 13383 13365 6918 1 31710 33160 1 9464 HMDB00054 C00486 584.2618 *584.2632* 584.2632@1.1972315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.2632 *584.5156* C39 H68 O3 1 1 1 1 1 1 1 1 1113 1 1 1 1 1 1 1 1 1 1 1 1802 1820 2954 2706 1 1 1 1 1707 1806 3067 2339 1932 1922 2436 2521 1568 1612 1 1 4397 4466 1 1 1 1 1 1 1 1 4288 4660 4334 3913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2589 2912 1 1 1 1 1 1 1 1 1 1011 1688 1615 3630 3339 1 1 1353 1415 1575 1553 584.5156 *584.714* 584.714@5.8924046 1 1 2414 2479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 584.714 *585.0488* 585.0488@5.8924046 1 1 2187 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.0488 *585.2872* 585.2872@1.060517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 585.2872 *585.445* 585.445@1.3353832 1 1 1 1 1 1 3226 3596 1 1 1 1 5109 4655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4480 1 1 1 1 1 1 1 1 1 1 1 2150 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2133 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 1 585.445 *585.5142* C31 H67 N7 O S 3472 3929 3296 3029 5153 5598 4545 4607 5416 4840 5046 4617 2392 2337 4858 5250 5319 5490 2804 3068 11433 11556 16685 17457 3858 3577 2211 1901 10478 10779 17116 15761 11899 11623 16246 15586 8281 8989 4677 4660 24706 24536 1253 1146 1 1 1 1 3028 2894 26640 27091 24966 24255 2847 2728 1 1 2022 1924 1 1 1148 1970 3006 2886 2137 2295 17406 17844 3042 2837 3620 3241 1440 1 1 1 5174 5747 8612 8898 21742 22101 1 1 8244 8979 9129 9327 585.5142 *586.3106* 586.3106@1.0665191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 586.3106 *586.6884* 586.6884@5.3810654 1 1 1377 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 586.6884 *587.0232* 587.0232@5.381565 1 1 1366 1445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.0232 *587.1698* 587.1698@2.0426657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1185 1255 1 1 1 1121 1 1 1282 1406 587.1698 *587.3939* 587.3939@1.2064396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 587.3939 *587.4033* 587.4033@1.2061242 1 1 11173 10628 2259 1952 1 1 1 1 1 1 1 1 1 1 1 1 1413 1173 1 1 1 1 2480 2798 1 1 1 1 8195 8032 1 1 1 1 1 1 1 1 1264 1039 1 1 6464 6478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1075 1078 1 1 1 1 7188 7031 2537 2787 1 1 1 1 4805 4927 1 1 1 1 1 1 1 1 1 1 1 1 587.4033 *587.4246* 587.4246@1.2019212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 587.4246 *588.1198* 588.1198@1.7581235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1059 1 1 1 588.1198 *588.4466* 588.4466@1.0443616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1938 1 1 3249 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 1 588.4466 *589.184* 589.184@5.6436367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2238 2398 1 1 589.184 *589.3528* 589.3528@1.0500126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 2340 1 1 1 1 1 1 1 1 589.3528 *589.3892* 589.3892@5.8579755 1 1 109310 106223 7800 6748 1 1 1 1 1 1 1 4204 1 1 1 1 1 1822 1 1 1 1 43881 44428 1 1 1 1 36752 37459 1 1 1 1 6121 6132 1 1 1 1 1 1 32023 31208 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 2990 1 1 2891 1 1 41575 39942 35310 36594 1 1 1 1 23795 24614 1 1 1 1 1 1 1 1 1 1 1 1 589.3892 *589.39* 589.39@5.814491 1 1 1657 4559 1 1 1593 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 2972 1 1 1 1 1 1 1 1 2439 1947 1 1 1 1 1 1 1 1 1 2300 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 1 589.39 *589.3926* 589.3926@5.7070484 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.3926 *589.3941* 589.3941@4.3554873 1 1 24907 27141 1242 1 1 1 1 1 1 1 1710 1607 2025 3194 1 1 1 1 1 1 1 1 8073 8850 1 1083 1017 1 10105 9320 1 1 1 1973 2406 1 1 2907 1 1 1 1 7454 6585 1 3278 1432 2811 1506 1 2126 1341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10363 11914 5947 9629 1 1 1 1 6603 7052 1 1 2998 1 1 1 1 1 1 1 1 1 589.3941 *589.3944* C23 H51 N13 O3 S 2803 2393 159503 155800 15292 16229 8632 9678 2372 3524 2141 1 20381 20041 4318 2256 7136 9061 10472 10676 3703 2687 1 1 60532 62012 3054 2199 3666 2470 89277 88372 1 1 3572 2102 3801 6323 4445 2825 8149 9315 9424 10637 75901 78694 8113 5541 3275 4064 1566 3712 11583 13291 1 2206 2135 3106 2487 1 9331 8732 11881 12462 12403 12800 1 1 101364 104784 75761 75463 1 1664 1 1 61007 60970 7443 7565 1345 1 1 1 1169 1 1 1 1 1 589.3944 *589.3953* 589.3953@4.433816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1791 1 1 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 1 589.3953 *589.4163* 589.4163@1.5151697 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1890 1 1222 1 1 2252 1 1 1 1 1 1546 1 1 1 1 1 1 1 1 1 2055 1 1 1 1 1 1 1 1 589.4163 *589.4179* 589.4179@1.4337009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2343 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 1363 1 1 1 1 1 1 3514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.4179 *589.4185* C32 H63 N O4 S2 7829 5821 151203 156945 24094 22647 13187 12050 11813 11218 8980 9642 19380 18295 14979 16156 14300 10548 19182 21160 11509 11209 11233 11169 38801 39366 12340 11477 16441 15778 102329 96997 17219 16215 8465 8271 8505 8441 10640 12900 22891 21851 9568 9343 70399 66905 13030 12310 19027 18777 14660 14801 19217 18752 15712 14630 3011 2526 12039 12074 21265 21902 23473 22310 19299 16130 9603 7713 96977 97553 37804 38194 7164 7226 6530 6220 57555 58206 13524 12494 12571 10950 16086 14516 2755 2908 9041 8853 12149 12182 589.4185 *589.4192* 589.4192@1.0974516 1 1 18924 12352 2501 1332 1 1 1 1 1 1 1 2363 1 1 1 1 1200 1524 1 1 1 1 7486 7333 1 1 1 1 7885 9165 1 1 1 1 1 1 1 1 1 1 1 1 4480 4764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 11064 10864 7433 6586 1 1 1 1 4068 6897 1 1 1 1 1 1 1 1 1 1 1 1 589.4192 *589.4193* C31 H59 N O9 46492 43654 1046817 1050310 145911 143331 80560 81404 76436 77358 58589 58152 116485 115057 97916 98618 86035 88694 127924 125773 74494 74101 67838 67910 272970 267916 74662 74405 100446 102369 675513 666978 105313 103017 55517 54829 52324 53174 71816 68784 148341 143782 59543 58617 480994 481521 76694 78400 114755 116122 99216 98173 127820 124460 96336 94917 24131 23643 78980 80158 131999 130336 152351 155441 116017 116335 61159 61718 663530 670404 273904 279308 52496 51803 43142 42729 430766 435576 99428 98928 89471 88652 105681 107269 25459 26029 59489 60463 73335 73528 589.4193 *589.7119* 589.7119@1.2061974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2466 2752 1 1 1 1 1 1 1 1 1 1 1 1 589.7119 *589.7155* 589.7155@1.2063274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.7155 *589.72* 589.72@5.7113323 1 1 2757 2524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.72 *589.721* 589.721@5.860979 1 1 87579 88937 6034 5504 1025 1 1 1 1 1 3117 2129 1 1 1 1 1646 1491 1 1 1 1 35163 33329 1 1 1 1 29677 28685 1 1 1 1 4378 4777 1 1 1 1 2538 1933 25053 26037 1 1234 1 1 1 1 1689 1 1 1 1 1 1 1 1 1032 2574 1922 2598 2373 1 1 33476 33569 27658 29141 1 1 1 1 19920 18757 1 1 1 1 1 1 1 1 1 1 1 1 589.721 *589.7253* 589.7253@5.547407 1 1 1710 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.7253 *589.7311* 589.7311@1.2054683 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.7311 *589.8953* 589.8953@4.294851 1 1 15825 13902 1 1 1 1 1 1 1 1 1 1 1 1 1778 1 1 1679 1 1 1 1 3647 4891 1 1 1 1 6063 5946 1 1 1 1 1 1 1 1 1 1 1 1 4227 4209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7601 7609 6499 6379 1 1 1 1 4061 4290 1 1 1 1 1 1 1 1 1 1 1 1 589.8953 *589.8961* C23 H5 Cl3 N2 O11 1 1 90140 90538 9179 9362 6432 3979 1 1 1 1 11719 11037 1053 1 7476 4422 4584 7995 1 1 1 1 33463 35545 1592 2568 4183 1 51602 51140 1 1 1 2335 2256 1729 1 1 4507 4177 4724 5663 41766 42614 4603 4847 1 1602 1 1 5959 6621 1 1 1 1 1 1 4582 4332 6821 6459 7818 8249 1 1 61488 61190 43626 44486 1 1 1 1 34022 35839 3836 4640 1 1 1 1 1 1 1 1 1 1 589.8961 *589.9206* 589.9206@1.2063607 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.9206 *589.9314* 589.9314@1.2086985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1461 1 1 1 1 1 1 1 1 1 1 1 1 589.9314 *589.9823* 589.9823@1.1981975 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 589.9823 *590.0556* 590.0556@5.8574986 1 1 53854 53095 2789 3230 1 1 1 1 1 1 1 1692 1 1 1 1 1 1 1 1 1 1 20849 21443 1 1 1 1 17955 17496 1 1 1 1 2153 2494 1 1 1 1 1 1 15385 14259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1631 1286 1 1 19155 19649 17831 17272 1 1 1 1 9848 11865 1 1 1 1 1 1 1 1 1 1 1 1 590.0556 *590.0703* 590.0703@1.2100801 1 1 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 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.0703 *590.1033* 590.1033@1.2064662 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.1033 *590.2007* 590.2007@1.2073573 1 1 1 2465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.2007 *590.2345* 590.2345@1.212169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.2345 *590.2462* 590.2462@1.1626872 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3041 2862 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 1 590.2462 *590.3739* 590.3739@1.0481112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 590.3739 *590.3906* 590.3906@1.0833206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10625 10823 1 1 1 1 1 1 1 1 1 1 1 1 1 5256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.3906 *590.3993* 590.3993@1.0881628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5070 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.3993 *590.4007* 590.4007@4.3608685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.4007 *590.4243* 590.4243@1.5342635 1 1 1 1 1 1 1 1898 1 1 1 1 1 1 1 1 1 3349 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 1 1 1 1 1 1 1272 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 590.4243 *590.4393* 590.4393@1.0728134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 590.4393 *590.448* 590.448@1.0627756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 590.448 *590.4539* 590.4539@1.0682044 1 1 1 1 1382 2949 2970 3086 2801 2962 1251 2540 1 1 1008 1 1 1078 1 1 1 1 1 1 1 1 6574 5534 3336 1 1 1 1 1 1 1 3262 3567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7049 1 1 1 1 1 1 1 1 1 1 1130 3565 1 1 1 1952 1 1 1 1 1 1 1 1 1131 1050 1 1471 1 1 1 1 2876 2782 1 1 590.4539 *590.4677* 590.4677@1.0695117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2070 1 1 1 3586 3799 3180 3328 1 1 1 1 1 3456 1 1 2799 1734 3605 3092 1 1 1 1 4706 4707 1 1 1 1 1 1 1 1 5149 5065 7429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1342 1 5566 5652 1 1 1 1 2061 1658 590.4677 *590.7241* 590.7241@1.2063607 1 1 1 4092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 590.7241 *590.796* 590.796@1.2061461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 590.796 *590.8154* 590.8154@1.2086446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 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 1 590.8154 *590.8637* 590.8637@1.2030153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 590.8637 *590.9303* 590.9303@1.2031049 1 1 2114 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272 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 1 590.9303 *591.0395* 591.0395@5.84989 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1633 1 1 1 1 1 1 1 1 1 1 1 1 1 591.0395 *591.0732* 591.0732@1.2063607 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.0732 *591.1756* 591.1756@1.2105409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.1756 *591.346* 591.346@3.5458992 1 1 4554 5201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4263 1654 1 1 1 1 1 1 1 1 1 1 1 1 5055 5438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2366 3050 1 1 1 1 1 1 2274 2278 1 1 1 1 1 1 1 1 1 1 1 1 591.346 *591.3461* 591.3461@3.6041899 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 591.3461 *591.3745* 591.3745@5.848898 1 1 1 6664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 591.3745 *591.4116* 591.4116@1.0935717 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 1 1 1 1 1 1 1 1 1 1 1 1 2108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.4116 *591.4259* 591.4259@1.6160318 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.4259 *591.7068* 591.7068@5.8544674 1 1 4417 4245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.7068 *591.874* 591.874@4.4179764 1 1 3030 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 1685 1655 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 1 1 1 1 1 1 1 1 1 1 1845 1827 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 591.874 *592.0818* 592.0818@1.2089908 1 1 1434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.0818 *592.2311* 592.2311@1.1538665 1104 1125 1 1 1 1 1 1 1 1 1 1 1 1 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 1613 1 1 1 1 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 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.2311 *592.3873* 592.3873@1.0540054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3933 1 1 1 1 1 1 1 1 592.3873 *592.4175* 592.4175@4.426001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 592.4175 *592.4341* 592.4341@3.9136865 1272 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2371 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4341 *592.435* C21 H52 N16 O4 + 4.3044767 11078 14059 10092 11039 9785 11625 11034 10896 9504 9120 9609 9575 10839 10525 10089 7082 10739 10156 11127 8503 10565 6268 11675 9268 10355 9100 8614 8968 10769 6926 9543 10493 12040 10586 9893 11627 6699 10065 10901 11679 11020 10520 11540 9687 8313 13434 14472 15131 13397 14996 15846 15633 16563 12305 12370 13388 16061 10195 13270 14548 7558 6569 6350 7218 3993 8585 7518 7549 3842 8881 11631 10473 1 5519 7791 9401 11000 10920 8107 7287 8067 11553 2660 10504 8460 6214 9978 10265 2099 7193 592.435 *592.4353* 592.4353@3.8753366 1 1 1 1 1 1 1 1 1 1 1 1 1307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4353 *592.4356* 592.4356@4.09546 1 1 1 1 3344 2142 1 1 1 1 1 1 3812 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 1 1 1 1 1 2559 1794 4955 1 2833 1 1 1 1 1 1 1 1 1 1 2351 2826 1 1 1 7421 1 1 5362 4830 1 1 1 1 1 1 1 1 1 1567 1 1 1 1 1 1 1 2078 1 1 1 1 4320 6368 2588 2489 1 1 1 3997 1 592.4356 *592.4359* 592.4359@4.071566 2972 4380 1 1 4220 2672 1 1 1 1 3652 1 2311 1 6539 1 1 1 3954 3606 1 1 1 1 1 1365 1 1 1 1 1 1 1 1 1742 1602 3037 1 1184 1 1 1 1 1 1 1 6638 1 1 2248 3080 1 1 1 1 1 1 1 1297 1 1 5348 1 1 1 1 1 1 2207 1 1 1489 1 1 1 1 1220 1 1 1 4035 4048 1 2408 1832 1 1 1 1 1 592.4359 *592.4363* C21 H52 N16 O4 4921 3294 1 6133 2664 5746 5547 6209 1 2710 2591 1836 2428 3431 1271 1 4229 4767 4531 2206 1 3987 1 5475 1 5885 1 6444 7218 1 5916 1 5270 3338 3690 4418 3527 4813 5218 7148 5448 1 8121 1 4727 1994 1580 1 7366 5330 8412 1 1 7104 4364 1 8747 6736 1303 4946 4923 2539 1 4908 4144 2185 4497 1 1691 5442 5719 1944 1 1 1 4087 2791 5155 7654 1645 6955 1836 3017 4925 5683 6308 1 1 3589 1 592.4363 *592.4664* 592.4664@1.0671436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.4664 *592.9372* 592.9372@3.965284 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.9372 *592.9374* C24 H3 N O18 6605 5894 5823 6051 5300 1 6406 6874 7833 6227 6936 5438 6377 6980 5837 5634 1 4761 7853 5804 5872 6723 3966 6184 6893 6001 1 1 6203 1 6269 1 2374 5951 5381 6783 4685 3495 5066 5422 1 5622 6295 6880 4027 5428 9230 5818 5922 9841 9240 9082 8550 10317 6847 9519 9344 5394 7518 1 5962 5974 4363 4541 4294 2123 4647 4727 3301 4635 4889 4823 1 5450 1951 5537 1 4372 4607 3766 4370 5813 4543 3986 5133 5115 4194 1 1 3772 592.9374 *592.9374* 592.9374@4.2162886 1 2092 1 1 1690 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 1 1 1 1 1120 1 1 1 1 1 1 1 1 1 1403 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 1703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.9374 *592.9376* 592.9376@4.1350126 1 1262 1 1 4176 1 1 4001 1 1 2515 2323 3657 1 1 5992 1 1 1 1 1 2936 1 1 1 2382 1 1 1 3527 1 6254 1 1 1 1 2763 1 2005 1 1 1 1 1 1 1153 2733 4233 1 1013 3647 2341 2337 1150 1 1 1 1 3026 1 1 1257 2522 1 1 1547 1 1 1 1 1240 1325 1 1687 1 1 1 1 2754 1261 2684 1 1 1 1 1214 1 1 1 1 592.9376 *593.4001* 593.4001@1.2099881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1032 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 1 593.4001 *593.4295* 593.4295@4.310511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 593.4295 *593.4384* 593.4384@4.125375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 593.4384 *593.4388* 593.4388@4.3192453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 1 1 1 1270 1 1 1 1464 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 1 1687 1 1 1 1 593.4388 *593.9266* 593.9266@5.4908886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1003 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1296 1160 1 1 1 1 1075 1 1075 1034 1169 1103 1 1 1151 1232 1 1029 1 1 593.9266 *594.0184* 594.0184@6.2085133 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.0184 *594.0564* 594.0564@5.807742 1 1 5458 4675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1666 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1918 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.0564 *594.3382* C29 H58 N2 O2 S4 1 1 2718 2714 1636 1885 1792 1712 1 1 1002 1128 1957 1856 1570 1609 1 1 1118 1177 1850 1359 1 1101 1 1 1520 1981 1074 1390 2430 2075 1 1394 1138 1 1288 1197 1 1 2180 1905 1975 1632 1171 1008 1518 1368 1 1 1443 1962 1857 1002 1 1 1 1 2115 2161 1832 2314 2336 2550 1671 2090 1650 2107 1896 2362 1460 1428 1653 1929 1066 1639 2284 2842 2350 2709 4342 3456 3424 3079 1760 1884 2037 2160 1453 1807 594.3382 *594.3786* 594.3786@1.139892 1 1 2978 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 1941 2124 1 1 1 1 1 1 1 1 1 1 1 1 1117 1482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 1647 1 1 1 1 1 1 1 2829 1 1 2185 1 1 1 1 1 1 1 1209 1361 594.3786 *594.3934* 594.3934@5.8125277 1 1 5012 4595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1711 1 1 1 1 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2057 1457 1405 1 1 1 1 1 1 1095 1 1 1 1 1 1 1 1 1 1 1 1 594.3934 *594.3992* 594.3992@2.0886798 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.3992 *594.4025* 594.4025@2.1118124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 2412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4025 *594.4118* 594.4118@4.562416 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1 1 1 1 1 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 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.4118 *594.4836* 594.4836@1.073784 1 1 1 1 1640 2147 2064 1341 2216 1839 2428 2198 1 1 1 1 1204 1 1 1 1618 1100 1 1 1 1 5183 5552 1202 1686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2333 2010 1 1 1 1 1 1 3839 3293 1 1 1 1 1460 2285 2569 4261 1 1 3381 3107 1 1 3067 3499 1 1194 1 1 1 1 1 1 1 1 1 1 1172 1861 1 1 1 1 1 1 594.4836 *594.7173* 594.7173@5.841251 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.7173 *594.7273* 594.7273@5.8066177 1 1 1694 1745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.7273 *595.2064* C28 H25 N11 O5 1910 1605 2854 2801 1288 1445 1828 2338 1867 1697 2678 3079 1660 1857 2015 2272 2655 2042 2068 1763 1666 1425 1399 1203 1776 1789 1754 1960 1747 1656 2397 2170 2252 2076 1782 1984 1001 1078 1640 1810 1984 2253 1784 1856 1319 1277 1692 1537 1239 1206 2087 1843 2215 1898 1785 1839 2057 2047 1225 1221 3449 2935 2811 2761 4701 4842 2003 1803 2119 2752 2419 2200 2612 2453 2495 2429 2646 2670 2131 1717 2260 2504 2680 2609 1992 1998 5487 5256 2085 2123 595.2064 *595.3714* 595.3714@7.882494 1 1 2401 3080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1031 1 1 1 1 1328 1432 1 1 1 1 1 1415 1 1 1 1 1084 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 1291 1 1 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.3714 *595.4298* 595.4298@1.2132255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12279 10707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3101 3595 1 1 1 1 1 1 1 1 1 1 595.4298 *595.5018* 595.5018@1.2050983 1 1 1 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 1204 1 1490 1 1296 1 1 1 1 1 1 2135 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 1984 1 1 1887 1 1 1 595.5018 *595.7088* 595.7088@7.8850403 1 1 2124 2527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1126 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.7088 *596.0378* 596.0378@7.8688083 1 1 1232 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.0378 *596.4022* 596.4022@4.393189 1 1 10027 9066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2767 2925 1 1 1 1 5659 4874 1 1 1 1 1 1 1 1 1 1 1 1 4115 4581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6860 6565 3916 4627 1 1 1 1 3097 3593 1 1 1 1 1 1 1 1 1 1 1 1 596.4022 *596.4398* 596.4398@1.0619467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.4398 *596.9023* 596.9023@4.3933 1 1 4661 5243 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 3099 2696 1 1 1 1 1 1 1 1 1 1 1 1 2230 2304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3137 3648 2340 2093 1 1 1 1 1883 2087 1 1 1 1 1 1 1 1 1 1 1 1 596.9023 *597.392* 597.392@4.5198727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1553 1 1 1 1 1 1 1 1 1 1 1 1 597.392 *597.4805* 597.4805@1.2076398 3814 1 1278 1581 1 1 1 1 1554 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 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 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2682 2543 1 1 1 1 1 1 597.4805 *597.4808* 597.4808@1.1080592 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 1 1 1 1 1 1 1 1 1 1 597.4808 *598.3724* 598.3724@6.1420493 1 1 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.3724 *598.3738* C19 H50 N16 O2 S2 4197 3660 49971 49980 12603 12135 8665 8269 7981 8261 10072 10285 13503 14269 4951 4554 5415 5515 9282 8648 6475 5950 3827 4481 29030 29506 5734 6167 7240 5960 28048 30848 3751 3321 5852 5593 13882 13142 6683 5920 7634 7547 15696 15243 31987 32194 11972 11368 7220 7604 4701 5111 12167 11772 5916 6133 7877 8543 6088 5812 8038 8251 9333 9415 11757 11823 3460 2999 37254 38006 24609 25749 4452 3606 4989 4251 20538 21208 9738 10186 4703 4260 4072 4534 7089 7317 5390 5100 2907 3988 598.3738 *598.3823* 598.3823@4.4762425 2953 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 1030 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9952 1 1 1 10037 1 1 1 1 1 1 1 6127 6203 5164 4945 1 1 7892 7532 9061 8902 5314 1 1 12850 1 1 1 1 598.3823 *598.3826* 598.3826@4.575188 2776 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7006 1 1 1 1 1 1 1 1198 1 1 1 1 1 1 1 1 1 598.3826 *598.4987* 598.4987@1.0291103 1 1 1 1 1 10519 1 12397 1999 1 1 1 1 1 1 1 1 1 1 17261 1 1 3582 1 1 1 1 1 1 4352 1 1 7230 1 1 1 1 5276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469168 1 1 1 1 1 1 1 1 1 1 1 1 1 4574 1 1 2146 1 1 1 598.4987 *598.5028* C37 H66 N4 S 267993 254106 163146 161629 201812 184767 210119 197194 177029 200137 377893 411219 155508 154975 138369 151404 341249 344067 195973 180053 149051 164483 207352 212523 221070 216640 265391 273340 257173 236345 237986 219196 360399 315668 227734 228971 280147 277075 316637 316656 287676 288747 187127 186392 287344 286473 261933 34917 242823 243931 269149 269481 332323 328740 432604 394444 497408 501951 217589 219403 256635 249284 365990 359692 335695 326090 555094 555903 479889 6712 463898 457761 385283 369836 166965 175034 264610 261475 315256 288451 267002 269465 307622 301217 242272 243785 300882 307775 210079 213970 598.5028 *598.8569* 598.8569@5.1931925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 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 1 1 1 1 3150 3282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.8569 *598.8753* C18 H N O21 S 2070 2120 27249 26231 6262 6223 4035 4114 4045 3979 4803 4786 7657 6661 2080 2013 2942 2875 4319 4615 2793 2891 1714 1749 16060 15236 3215 3032 2921 2896 16065 15449 1617 1866 2764 2834 6917 6864 3259 3025 3524 3465 7894 8210 16227 16705 5440 5710 3558 3515 2410 2011 5943 5992 3312 3191 4008 3756 2761 2808 4120 3875 4388 4337 5835 5571 1618 1612 20123 21287 12706 13208 2106 2397 1755 2443 10977 10901 5403 4727 2371 2435 1945 2053 3131 3423 2249 2687 2064 1771 598.8753 *599.2978* 599.2978@4.1609106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.2978 *599.3578* 599.3578@5.192671 1 1 1 1 1 1 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 1438 1 1 1 1 1 1 1 1 1 1 1 1 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 1322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.3578 *599.3876* 599.3876@5.9787226 1 1 2341 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.3876 *599.4597* C35 H69 N S3 1 1 2005 1772 1 1 1 1 2360 2328 9665 9631 1 1 4491 4939 1 1 1897 1870 2597 1674 7992 1646 1 1 6241 5872 2462 1580 1 1 1 1 3083 3502 1 1 1 1 1 1 8546 7721 2386 1736 1 1 1 1 1 1 1 1 4581 3765 2635 2668 6184 6092 1 1 1 1 1 1 1 1426 1 1 1 1 1 1 1 1 1 1 1 1 6736 7286 5364 7550 2513 2794 1 1 1 1 599.4597 *599.4606* 599.4606@1.227155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6687 1 1 8251 8143 6620 5180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.4606 *599.4615* 599.4615@1.1584857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1038 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.4615 *599.5027* 599.5027@1.0420434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28286 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1797 1 1 1 1 1 1 1 1 1 1 1 1983 1 1 1 1 1 1 1 1 599.5027 *599.7262* 599.7262@5.9797263 1 1 2400 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 599.7262 *599.8829* 599.8829@5.49246 1 1 2555 2626 1 2718 2553 1 1 1 1 1 2785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2787 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 1 599.8829 *599.8871* C35 H4 O S5 2654 2175 1 1 2193 1 1 2662 2710 2865 2857 2693 1 2519 2961 2824 2636 2848 2427 2547 2668 2729 2693 2707 2576 2744 2620 1 1 2715 2745 2680 2588 3001 1 2676 2322 2770 2997 2725 2727 2979 2711 2997 3024 2667 2625 2544 2957 2776 4085 4022 3678 3448 3307 3452 2477 3176 3191 2850 3292 3964 3111 2847 3523 3459 3448 3635 2843 2872 4179 4218 3229 3100 3171 3134 3477 3674 3982 4091 4065 4142 3745 3704 4219 4448 3634 4020 3353 3762 599.8871 *600.2093* 600.2093@1.6276128 1 1796 1 1 1 1345 1 1 2085 2016 1438 1 1627 1 2208 1962 1 1 1 1378 1 1 1 1 1643 1393 1578 1 1 1 2727 2354 1835 2062 1 1845 2034 1 1 1978 2088 2433 2417 2709 2729 1837 2174 2448 1 1 2191 2720 1630 1 1 1602 2205 2165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 1789 1842 1 1 1 1833 1 1 1 1 1 1 1 1 1 1 600.2093 *600.3909* 600.3909@5.4955645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 600.3909 *600.408* 600.408@4.5323286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.408 *600.4216* 600.4216@4.517606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 600.4216 *600.4327* 600.4327@4.27172 1 1 1 1 1842 1 1 1 1415 1 1 1 4271 1 1 1 1 1 1 1 1 5320 1317 1 1 1 1 1 1 1 1 1 1 3797 1337 1 1 1 1440 1 1 1 1 5149 1 1 2486 1 1 2982 5229 1 1 8682 1 2044 3199 1 1 1 3495 1 1 1 1 1687 1 1 1 1 1 1 1 1 1 1 1 5023 1 1 1 1955 1 1 1 5319 1 1 1 1 600.4327 *600.4329* C29 H60 N8 O S2 5295 6689 6677 5463 5743 8082 5237 4482 6504 6462 5491 5533 6895 8514 5580 3810 7784 7538 7997 7444 3609 7806 8418 6166 4988 7897 7402 6532 7523 6317 5401 6574 4172 5912 6636 5527 6185 6167 7462 6222 6277 2724 9306 8207 6281 8560 6248 10655 9190 11772 9460 6564 8312 6893 4387 6818 5625 5633 9506 9688 6987 4454 2171 4852 2369 5319 5090 1279 3840 5873 6855 4366 4120 4211 5501 2689 2445 1642 6289 5428 6846 4800 6005 6736 5248 1161 5394 5003 3693 5495 600.4329 *600.4333* 600.4333@4.2577085 1 1 1 1 2024 1 1 1 1 1 1 1 1715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 1 1 1 3710 1 1 1 1 1 1 1 1 2387 1 1 1 1 1 1 1 1 1 2463 1 1 1 1 1 1 1 1 1 1 1 6172 1 1 1 1 1 1 1 1 1 1 1 1 600.4333 *600.4336* 600.4336@4.255443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.4336 *600.4337* C28 H56 N8 O6 1 1130 2519 1 3118 1 1 4929 3603 3738 5282 4242 3549 3877 4867 1 2220 1 3324 1 1 1781 4691 3527 1341 9061 3257 1 1 3801 1 1 1066 3126 3744 1 3464 3607 5474 3159 1 3549 1975 2129 1 1 2166 1 1 5892 6085 1 4730 4839 4731 4174 6439 4404 2829 1 2096 1 1207 1 4472 1762 1075 6405 2355 2497 3032 1 2951 1 3356 1172 1414 3489 1 1 1673 1988 4384 1 2711 5414 1 1 1 1 600.4337 *600.4346* 600.4346@4.444832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 600.4346 *600.4603* 600.4603@1.2221326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 600.4603 *600.9349* 600.9349@4.3461194 1478 1 1313 1 1 1 1 1850 2770 1 2723 4368 1 1 1 3968 1 2603 1671 1579 1 1846 1 1 1081 1986 1 2300 1 3316 1 1 1983 1 2576 1 1 1 3172 1 1 1 1 2327 1 2489 5442 1744 1 1 3569 1773 1 1 3446 1 1226 1 4235 1230 1 2455 1 1 1 1 1 2337 1 1 1 1 1 2329 2050 1 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 600.9349 *600.9351* 600.9351@4.2729216 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 1391 1 1948 1 1 1 1 1 1 1 1 1897 1 1 2520 2969 1 1 1 1285 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 1 600.9351 *600.9353* C25 H3 N3 O14 S 3722 6168 3466 3938 5106 5836 6013 1840 3723 6147 1719 1449 1309 3679 3237 5967 1087 1552 4149 5615 1 2049 1 5485 3186 4686 2982 1809 4466 6319 2586 5970 5194 4449 3602 6287 3111 1960 4003 2958 1 5389 3175 3904 5780 3825 5420 3417 3907 4349 5181 4575 3177 4583 4661 6584 4405 6539 5960 5990 3088 2329 1 2234 3181 2923 3181 3516 1647 3313 1162 2232 2259 2433 3494 1 3537 4028 3235 2200 1971 1 2485 3023 2647 1693 1583 5459 3860 1552 600.9353 *600.9355* 600.9355@4.157301 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 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 1 1 1 1 1 600.9355 *600.9377* 600.9377@4.3648586 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 600.9377 *601.2246* C20 H43 N O17 S 2956 2535 2970 2979 2709 2546 2882 3203 2947 3231 2495 2501 2673 2419 3243 2735 2780 2396 2981 2813 2449 2415 2631 2563 2137 2266 2275 2588 2193 2212 2667 3020 3384 2859 2402 2250 2123 2124 2921 2896 2713 2724 3003 2847 2261 2651 2160 2197 1717 1597 2622 2659 2344 2184 3217 3021 2750 2641 1925 2068 4093 4308 3380 3493 3903 3533 3787 3474 2357 2560 3447 3236 2469 2398 3209 3063 3367 3032 3682 3252 3652 3569 3051 3217 3548 3630 3413 3764 3598 3664 601.2246 *601.4166* 601.4166@1.2074581 1 1 2131 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 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 1144 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.4166 *601.4249* 601.4249@4.5478787 1 1 1 1607 2009 1 1 1112 1 1 1 2745 1 1976 2870 1495 1844 2243 1 1 2092 5157 1782 1 1086 1 2796 3901 3406 2588 1 1060 1638 1109 1 1 1134 1 1 1 1 1 3717 4673 1 2782 1743 1 1 1 1211 1710 1 1922 1 1741 1 1 1151 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 1 601.4249 *601.4251* 601.4251@4.528844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 601.4251 *601.4362* 601.4362@1.012246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 601.4362 *601.5013* 601.5013@0.97773564 2230 2408 1381 1296 1 1 1 2283 1490 1772 1 1 1049 1 1 1 1 1 1782 1797 1074 1451 1492 1 1 1 2061 1 1 1 1619 1 1 3239 1 1 1 2253 1 3302 3236 1 1 1351 1 2379 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3121 1 1 1 1 1 1 1 1 1745 1 2547 2372 1 2578 1 1 1 1 1832 1 1 1 1 1 601.5013 *601.9263* 601.9263@4.5622263 1 1 1 1 1 1 1079 1 1296 1731 1 5342 1 1 1858 1 2079 4434 1 2185 1825 1 1 1 1 1 3320 1 2675 3106 1 1 1 1 1378 1349 1660 1 1 1 1 1209 2122 5144 1 1 1 1 4735 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 1 1 1 1 1 1 1 1 1 1 1 601.9263 *601.9276* 601.9276@4.50605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.9276 *603.1902* 603.1902@1.9429759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 603.1902 *603.3987* 603.3987@4.450937 1 1 5999 3800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 2702 2813 1 1 1 1 1 1 1 1 1 1 1 1 3385 2911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4086 2676 1 2032 1 1 1 1 3238 3421 1 1 1 1 1 1 1 1 1 1 1 1 603.3987 *603.4015* 603.4015@1.1845075 1092 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.4015 *603.423* 603.423@1.0941347 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.423 *603.427* 603.427@1.0962644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.427 *603.432* 603.432@1.5810907 1 1 6880 7166 1 1 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 4556 1 1 1 1 1 1 1 1 1 1 1 1 3101 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4166 3737 1 1 1 1 1 1 2197 1662 1 1 1 1 1 1 1 1 1 1 1 1 603.432 *603.4336* C33 H65 N O4 S2 1333 1 48641 50348 7398 7848 1 4645 3604 1 2618 2306 5665 5243 3547 3890 3329 3263 6464 5895 2694 2736 1 2813 10992 11444 2660 3002 3824 4491 31724 31907 4204 3750 1 1 2160 2256 2949 2707 6203 6704 3198 2331 24242 24628 3586 3053 1 4477 4188 4731 6040 6120 3943 3816 1 1 1 1 1 6010 6624 7905 5468 5007 2553 2688 33429 33886 14242 13727 1585 1 1633 1418 21877 22539 5672 5537 4232 4565 4665 5023 1 1 2588 2903 2887 1 603.4336 *603.4363* 603.4363@1.5919962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 603.4363 *603.4601* C31 H65 N5 O2 S2 1 2580 1 1176 1743 1839 1 1631 1949 2064 4253 3463 1275 1566 1 1501 3451 3108 2519 2236 1902 1567 2344 1669 2013 2395 2459 1 2492 2381 2882 2878 3429 3341 1 2847 3560 3790 3643 3626 3394 3227 2719 2373 3093 3286 2898 2775 3226 3260 3741 1 4616 4268 4880 5365 5282 5209 1 3133 3483 3603 4224 4425 4874 4679 1 5709 5281 6166 5308 6221 4236 4049 3182 3435 4277 4095 4482 4048 5204 5001 4957 5146 4493 4252 4606 5293 3667 3047 603.4601 *603.4613* 603.4613@0.988035 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2607 1 1 1 1 1 1 2656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3724 1 1 1 1 1 1 3259 1 1 1 1 1 1 1 5813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.4613 *604.0619* C22 H12 N12 O8 S 1 1 111181 111193 7572 6775 1059 1072 1 1 1 1 3159 2883 1 1 1 1 1632 1507 1 1 1 1 42173 42629 1 1 1 1 35227 35649 1 1 1 1 5766 5908 1 1 1 1 2167 2129 29435 29517 1 1043 1 1 1 1 1436 2026 1 1 1 1 1 1 1 1 2664 2333 3157 2640 1 1 37216 39470 34788 36414 1 1 1 1 23418 25250 1 1 1 1 1 1 1 1 1 1 1 1 604.0619 *604.0623* 604.0623@5.634118 1 1 5325 5247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.0623 *604.0627* 604.0627@5.781208 1 1 2872 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 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 1 604.0627 *604.3953* 604.3953@5.634752 1 1 3288 3336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.3953 *604.3962* 604.3962@5.9472384 1 1 94569 93791 6008 6302 1 1 1 1 1 1 2770 3330 1 1 1 1 1248 1411 1 1 1 1 34636 35781 1 1 1 1 30242 28457 1 1 1 1 5691 5186 1 1 1 1 2535 1932 25921 23885 1027 1 1 1 1 1 1649 1 1 1 1 1 1 1 1 1 2098 2267 2924 2723 1 1 33428 34074 30363 30235 1 1 1 1 19756 21295 1 1 1 1 1 1 1 1 1 1 1 1 604.3962 *604.3991* 604.3991@5.8891664 1 1 2485 2091 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.3991 *604.4001* 604.4001@4.563912 1 1 5342 4912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1590 1525 1 1 1 1 1 1990 1 1 1 1 1 1 1 1 1 1 1 1 1756 2385 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2459 2835 2289 1705 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1 1 1 604.4001 *604.4007* 604.4007@4.484585 1 1 1 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 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 1 604.4007 *604.7273* 604.7273@5.6336193 1 1 1779 2038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.7273 *604.7301* 604.7301@5.9447603 1 1 55137 55743 3409 3095 1 1 1 1 1 1 1495 1275 1 1 1 1 1 1 1 1 1 1 19845 19091 1 1 1 1 16198 17682 1 1 1 1 1 3002 1 1 1 1 1 1 13967 13482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1250 1340 1248 1244 1 1 19134 18977 17720 17016 1 1 1 1 11454 11972 1 1 1 1 1 1 1 1 1 1 1 1 604.7301 *604.7332* 604.7332@5.8837924 1 1 1080 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 2512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.7332 *604.902* 604.902@4.5522356 1 1 2380 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 1 1 1009 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1060 1127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 604.902 *605.3618* 605.3618@3.7373626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3569 2398 1 1 1 1 1 1 1 1 1 1 605.3618 *605.3654* 605.3654@3.699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 605.3654 *605.4604* 605.4604@1.1907448 2459 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5948 6127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.4604 *605.9634* 605.9634@1.1893952 1 1134 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 2871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 605.9634 *606.0493* 606.0493@5.9500284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.0493 *606.0872* 606.0872@5.6479754 1 1 1 1 1 1 1 1 1 1 1107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587 1544 1 1 606.0872 *606.1408* 606.1408@1.945 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 606.1408 *606.2419* 606.2419@1.1637617 1726 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 1520 1553 1045 1363 1 1 1 1 4928 5383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3836 3873 1 1 1 1 1 1 3552 3580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.2419 *606.2597* 606.2597@1.0528121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.2597 *606.3259* 606.3259@1.0597861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3129 3015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.3259 *606.3492* 606.3492@1.0584526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 606.3492 *606.388* C29 H51 Cl N10 O2 1 1 1 1 1 1 1 1 1 1 1183 1625 1 1 1 1 1457 1233 1 1 1746 1402 1 1 1 1 1785 1824 1 1 1 1 1627 1 1 1 1073 1 1 1 1 1 1 1 1 1 1 1363 1360 1787 3590 3888 2193 1607 5547 5562 2618 2420 4354 4515 1 1 2116 2212 1689 1941 2515 2382 1 1 3830 4262 1385 1959 3021 3142 3168 3059 4578 4092 7352 7457 6675 6392 4639 3877 3040 2742 1651 1914 606.388 *606.4352* 606.4352@1.2032803 1 1 1198 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4352 *606.4406* 606.4406@1.2041223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.4406 *606.5582* 606.5582@2.0762296 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 606.5582 *607.1387* 607.1387@1.9469866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2789 1 1 1 1 1 1 1 1 1 1 607.1387 *607.3536* 607.3536@1.0548054 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8468 7550 1 1 1 1 1 1 1 1 607.3536 *607.3634* 607.3634@4.095894 1 1 2747 2331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.3634 *607.3775* 607.3775@4.8012147 1 1 1513 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1 1 2178 1 1 1 1638 1710 1269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.3775 *607.3783* C21 H49 N15 O4 S 10694 10300 84418 83109 42070 41657 31933 32470 31778 30176 30165 2958 53087 51270 10048 11143 69481 67815 28504 29915 12561 13103 12511 12369 47576 49556 35920 36132 26935 24440 73118 68666 4834 5801 18030 16082 32998 33906 25856 25809 23642 23667 48508 47428 69839 72200 31601 31949 21184 21849 7149 7253 33196 31551 13159 13881 18983 20133 23803 24420 40949 39381 26250 26522 36480 38138 5403 5036 72950 75375 60280 60878 17067 16080 11767 12196 54773 55982 74810 76195 13305 13258 10548 10060 21855 20994 16314 15017 8440 8220 607.3783 *607.3815* 607.3815@4.909761 1 1 1569 1 1 1 1 1 1 1 1 27094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.3815 *607.4711* 607.4711@1.2083309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1641 1 1 1 1 1 1 607.4711 *608.137* 608.137@1.9464865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3833 3562 1 1 1 1 1 1 1 1 1 1 608.137 *608.3351* 608.3351@2.6276326 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 2948 1 1 1 1 7813 8182 1 1 1 1 1 1 1533 1 1 1 1 1 4028 4256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5398 4312 1 1 1 1 1 1 8881 11367 2831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.3351 *608.3358* 608.3358@2.8004339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 608.3358 *608.336* 608.336@2.8670492 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 2262 1 1 1 1 3470 1027 1 1 1 1 1 1 1 1 1 1709 1 1 1 4358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5840 5990 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.336 *608.3388* 608.3388@1.0759445 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 608.3388 *608.3777* 608.3777@4.852057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.3777 *608.5244* 608.5244@1.212852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.5244 *608.5494* 608.5494@1.0539912 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 608.5494 *608.5837* 608.5837@1.1424949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24211 30890 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1712 1 1 1 1 1 1 1 1 1 1 608.5837 *608.735* 608.735@5.9133353 1 1 6989 7451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1532 1487 1 1 1 1 1664 1660 1 1 1 1 1 1 1 1 1 1 1 1 1132 1601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 1799 1676 1543 1 1 1 1 1498 1633 1 1 1 1 1 1 1 1 1 1 1 1 608.735 *609.0339* 609.0339@6.2770176 1 1 1 1347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.0339 *609.0673* 609.0673@5.9122367 1 1 5622 5470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1676 2067 1 1 1 1 2037 1616 1 1 1 1 1 1 1 1 1 1 1 1 1492 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1990 1955 1474 1521 1 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 1 609.0673 *609.1799* C34 H24 Cl N9 O 7614 5468 40636 60669 10976 9669 8767 9152 14326 9212 3296 3269 12838 13452 7848 6519 5754 6965 8892 3595 6574 8188 5893 4474 10146 9293 8661 5897 6908 5398 13200 16162 11826 9756 7116 7074 6407 5687 41636 22501 14703 11697 19709 12785 4934 4081 9979 17523 8007 7590 6734 6101 5586 5624 5145 4787 6058 5823 42855 29712 8401 8838 15371 15930 13318 13786 11258 10532 28474 24798 2961 3181 8014 5543 7586 8342 10488 10285 8608 3092 6776 6760 10710 10380 15981 16995 19568 16831 9166 8392 609.1799 *609.3058* 609.3058@1.2003808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2147 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 1 1 1 1 1 1 1 2493 1824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.3058 *609.3961* 609.3961@5.9113183 1 1 3950 4365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1176 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 1 1 1421 1573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 609.3961 *610.0497* 610.0497@7.969795 1 1 1948 2230 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 1243 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.0497 *610.1814* 610.1814@0.99422896 1 1 1 1 1 1 1 1 1 1 2001 3895 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 3557 1 1 1 1 1 1 1 1 1 1 610.1814 *610.2983* 610.2983@1.1448066 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.2983 *610.3579* 610.3579@1.0027845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.3579 *610.3813* 610.3813@7.987284 1 1 2087 1686 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 1237 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 610.3813 *610.3946* 610.3946@2.1963916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1920 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 1 610.3946 *611.1783* 611.1783@0.9943162 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.1783 *611.4074* C39 H53 N3 O3 2209 2699 199180 194523 20101 17764 9451 7610 2513 2994 1 3891 24086 20941 1 1618 10170 6095 12515 11106 1733 3111 3684 2235 77887 73555 3875 1 4727 3087 108748 105217 2111 1406 3030 6458 1619 8687 3922 2871 5587 7378 10330 12082 87607 87499 12435 7341 3809 5174 2264 4715 14308 13908 1255 1787 2231 2693 5687 1 7565 7735 11663 11274 14555 12228 1 1 121907 124106 92121 92182 1648 2501 2358 2448 68201 71150 7912 7332 1 1495 1 1 1594 1851 1548 1683 1 1 611.4074 *611.4076* 611.4076@4.610363 2315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1174 1 2078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5917 1 1891 1 1558 1 1 1 1 1 1 2362 2155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 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 1 611.4076 *611.4077* C39 H53 N3 O3 + 4.4767947 1067 1 29541 29751 2760 3061 1569 1 1690 1857 1 1 3767 2890 1 4066 1250 2964 1 3804 3362 2411 2391 1 10587 11131 2436 1 1 2300 12137 12169 3905 1 1 1 2822 3849 1944 1 1308 1962 1 4252 10061 8577 1 1734 1117 2701 1 2564 1 1 1 1 1 2331 1719 1 1 1 2668 1586 2072 2531 1 1 14018 13107 12311 12028 1 1 1 1 5193 6384 1 1 1 1 1 1 1 1 1 1 1 1 611.4077 *611.4848* 611.4848@1.2099894 1 1 1360 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.4848 *611.4971* 611.4971@1.2052424 2634 1 1 1 1 1 1057 1445 1512 1677 1 1 1605 1 1 1 1 1 1852 2658 1 1 1016 1 1 1 1055 1078 1768 1685 1 1 1167 1 1 1 1 1 1 1085 1 1 1 1 1752 1688 1219 1134 1002 1 1 2604 3040 1010 1 1 1367 1792 1670 1139 1 1 1 1 1 1 1444 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1643 1 1 1 1 1 1 611.4971 *611.9069* 611.9069@4.618398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.9069 *611.9093* 611.9093@4.451128 1 1 17894 17490 1 1 1172 1339 1 1 2519 1 1 2950 1 1 3972 1801 1 1 1 1 1 1 5874 5934 1 1 1 1009 7297 6920 1 1 1 1 2720 1 1 1 1191 1 1 2748 5544 4507 1615 1 1 1 1 1692 1634 1478 1 1 1 1 1 1485 1 1 1 1 1 1 1 1 7303 7757 6861 7089 1 1 1 1 3964 3605 1 1 1 1 1 1 1 1 1 1 1 1 611.9093 *611.9095* C27 O18 1 1 112171 116171 10858 11495 4049 3500 1 1834 1305 1 13323 12582 2412 2495 1565 3517 6842 6628 1568 1316 1 1 44560 43869 1752 1287 1665 2042 61193 60264 1494 1 1 1537 2734 1 2174 1 5837 4918 6222 6958 51224 51383 6110 5279 2009 2221 1713 1849 7819 2334 1 1 1573 1206 2870 1400 5200 4217 5944 6029 7241 8092 1 1 71477 71571 55183 53965 1 1 1 1 39614 40574 4160 3357 1 1 1 1 1 1 1 1537 1 1 611.9095 *611.9113* 611.9113@4.5288973 1 1 1 1 1 1 1 1 1 1 1 1 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 6266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 611.9113 *612.1088* C33 H13 Cl N12 1052 1 1199 1 1212 1 1113 1154 1176 1201 1058 1028 1137 1153 1 1145 1 1 1072 1108 1113 1095 1 1198 1 1 1 1 1 1 1287 1159 1332 1042 1 1099 1 1 1270 1281 1036 1 1005 1 1135 1 1 1 1 1 1214 1250 1265 1152 1400 1537 1263 1032 1 1 1837 1632 1159 1270 1177 1461 1371 1748 1061 1 1598 1652 1 1129 1326 1489 1473 1339 1584 1 1498 1691 1442 1549 1682 1659 1276 1277 1285 1534 612.1088 *612.1787* 612.1787@0.9943837 1 1 5165 1 1 1 1 1 1631 1021 1 1 1134 1511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1670 2026 1 1 1 1 1 1 1 2679 1639 1 2248 1 1 1 1 2253 1 1 1 1 1 1 1 1 1 1 6347 3903 1 1 1 2090 1 1265 1 1 3557 3146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 2156 2321 1811 1 1 612.1787 *612.3353* 612.3353@4.844317 1 1 2208 2069 1 1 1 1 1 1 1 1 1 1 1 1 1429 1435 1 1 1 1 1 1 1115 1042 1 1 1 1 2169 1482 1 1 1 1 1 1 1 1 1 1 1171 1201 1520 2106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1731 1771 1357 1553 1 1 1 1 1285 1146 1565 1968 1 1 1 1 1 1 1 1 1 1 612.3353 *613.1742* 613.1742@0.9930283 1 1 1 2390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.1742 *613.1824* 613.1824@1.795538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1704 1 1 1 1 1 1 1 1 1 1 613.1824 *613.2867* 613.2867@1.0757897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.2867 *613.4756* 613.4756@1.1874524 1 1 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 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 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 1 613.4756 *613.4759* 613.4759@1.2346152 1 1 3603 3441 1 1 1 1 1 1 1 1 1 1 1 4954 1 1 1 1 1 1 4821 1 1 1885 14421 13326 4634 8120 1 1 1 1 1 1 1 1 1023 1 1 1 1 6187 1 1 1 1 1 1 1 1 1 1985 1 5414 1 1 5755 6080 1 1618 1 1 1 1 1 2282 1 1 1 1898 1 1 1 1 1 1068 1 1 1 5165 6016 1 1 2321 1 1446 1 1 613.4759 *613.8878* 613.8878@4.5311365 1 1 3610 4367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231 1473 1 1 1 1 1892 1726 1 1 1 1 1 1 1 1 1 1 1 1 1642 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2550 2610 1455 1681 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 1 613.8878 *614.0614* 614.0614@6.063046 1 1 1779 2095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.0614 *614.2248* 614.2248@1.6261424 1528 1 1 1 1 1 1 1 1980 2268 1148 1 1 1 2184 2516 1 1464 1317 1 1 1 1471 1 1 1 1 1 1 1 2531 2309 2076 1854 1 1753 1 1 1 1647 1996 2175 1177 2334 2050 2226 2337 2283 1 1 2176 2083 2367 1811 1697 1721 1 2073 1 1 1563 1 1 1 1 1 1 1 1517 1 1 1 1 1 1593 1 1 1 1763 1884 1 1 1 1 1647 1 1 1 1152 1 614.2248 *614.2323* Galalpha1-3Galbeta1-4GlcNAcbeta-Sp 1 1 1 1 1 1 3487 3162 1826 1932 1626 1087 3179 2814 2390 1813 1043 1009 2873 2748 1920 1645 1 1247 5000 5047 2140 2184 3311 3072 4291 4387 1 1 1 1042 1070 1441 1 1 2958 2447 1 1019 2576 2882 2153 1902 1 1 1571 1541 3093 3021 3166 3112 1079 1 2161 2337 6732 6050 1238 1262 6515 6969 1411 1604 2078 2289 1 1 2104 2483 2013 2165 1682 1596 1 1 1223 1 2155 1635 1 1 2223 2397 2042 2305 614.2323 *614.4053* 614.4053@6.0670667 1 1 1863 1935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4053 *614.4087* 614.4087@4.543642 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4087 *614.4483* C29 H58 N8 O6 10981 9256 10365 9294 9290 10391 8508 9837 3461 8083 3607 6387 5816 2318 7756 10464 9731 8398 10269 7144 7961 10785 9413 8243 9460 4155 9298 5409 9191 8360 7902 8848 10013 9089 7775 9121 7341 8201 14054 9063 7543 8521 2659 3146 12390 7328 11626 6436 12565 2413 14545 13647 12040 7474 14373 12007 10274 9140 4698 12398 4488 3524 6211 4546 5527 4438 6281 3227 3603 4520 8278 2320 1422 4519 1900 5947 5705 7718 7745 5543 5994 5547 6314 5931 5063 10663 1 3802 5729 1616 614.4483 *614.4491* C30 H54 N12 O2 4732 1 1 5296 2359 1 1 1 6137 1 4208 7733 2296 3577 8397 7536 1 1 1 1 1 1 1 3669 3397 2293 4736 5293 4016 4156 2507 1 4588 1 6282 1 12767 5484 2845 5007 3206 7260 8318 7848 10602 10350 9424 1 5361 5146 1 12399 1 4442 12209 1 9992 5092 3676 4964 3349 7459 1 1 1 2789 2800 4537 1674 2495 2960 6898 7006 1097 3621 1 2742 3955 1 2185 4847 8975 6015 2967 1297 3311 7544 2381 1 1726 614.4491 *614.4493* 614.4493@4.2245126 1 1 1 1 1 1 1 1 1 1 2666 1 5157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4413 1 1 3984 1 1 1 5172 1 1 1 1 1 1 1 1 12865 1 1451 1 1 1 1 1842 1 1471 1 1 1 2221 1 1 2308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4493 *614.4493* 614.4493@4.3177867 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 7851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1502 1 1 1 1 1 6351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.4493 *614.4497* 614.4497@4.38196 1 1 1 1 9338 1 1 1 1 1 12294 1 8920 4629 1 1 1 1 1 1 1 1 1 1 1 8294 1 9426 1 1 1 1 1 1 1 1 1 1 9790 1 1 1 11301 1 1 9235 1 1 1 9787 1 1 1 11249 1 1 1 1 10768 1 7480 1 1 1 1 6715 1 7618 1669 1 1 2192 1 7670 6419 1 7457 1 1 1 9608 1 1 1554 1 1 1 2871 1 4763 614.4497 *614.4575* 614.4575@1.0652343 1 1 1 1 1 1276 1222 1047 1195 1204 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 1079 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2062 2169 1 1 1 1 1 1 1231 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 1 614.4575 *614.466* 614.466@1.0601889 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.466 *614.4856* 614.4856@1.0305123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1 1 1 1 1 1 1 2338 1 1 1 1 1 1 1 1 1 1 1 1 1 2845 2152 1 1 1 1 1 1 614.4856 *614.4963* 614.4963@1.0207552 1466 1 1 1 1 1 1 1 1 1 1460 1 1 1 1 1 1 1220 1 1 1 1 1 1 1 1 1 1427 1 1 1 1 2419 2232 1 1 1080 1013 1113 1 1 1 1 1 1235 1 1478 1 1 1 1677 1382 1 1 10796 11553 3601 3697 5089 4797 1 1073 1647 1630 1 1 3710 3387 1 1436 3785 4032 2415 1787 1707 1302 1222 1437 1 1 2343 2861 1 1 1 1 1 1 1 1 614.4963 *614.9499* 614.9499@4.1133327 1 1 1 1 1 1 1 1 1 1085 2374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3289 1 1 1 2576 1 1 1 1 1 1 1 1647 1 1073 1 1 1 1 3076 1 1 1 1 2627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1 1 1 1 1 1 1 614.9499 *614.9501* C22 H5 N3 O19 + 4.3972144 1 6248 1 1 1 6125 6157 1 6332 5953 6118 5371 4964 1 1 1 1 1 6133 4034 1 5468 1 6131 6212 3785 1 1 5109 1 1 1 1 1 5045 1 4924 1 6627 1 5136 1 5517 1 1 7310 8197 1 2249 1567 1 1 6638 7582 8568 6503 7956 6643 6699 1 4510 1 1 1 1 3328 4219 4885 3228 1 1 1 1 1 1634 5976 1 1 1 1 2395 1 1508 1 1 4074 1 1 1 1 614.9501 *614.9502* 614.9502@4.193391 1 1581 1 1 1 1 1 1 1 1259 2590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3068 1 1 1 1 1 1 1 1 3927 1 1 1 1325 1 1 1 1 1 1 1 3519 1 1880 1 1 1 1 5478 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.9502 *614.9509* C22 H5 N3 O19 7038 2874 1 5238 6122 3542 4275 5577 3680 4892 3108 1801 6843 1 1 5110 1 5534 2189 3420 6804 3971 6062 1531 2957 1521 1 5831 5743 6045 5532 4879 6053 5823 1828 1 3030 6487 1426 3224 1805 5473 1562 6499 6626 4640 2449 7732 6760 6674 9236 7316 7146 3604 6529 5396 4495 5799 1851 6701 2761 3926 3252 2192 3702 1643 2043 2882 1836 1 4042 4187 3950 4000 4327 2903 3774 1898 4129 2004 5804 4400 1740 3629 4729 2607 3937 1 3543 5204 614.9509 *614.9512* 614.9512@4.2653766 1 1 1 1 1 1 1 1 1 1 1407 1 1 1 1 1 1 1 1 1 1 1 1 1 1589 1988 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 2931 1 1 1 3088 1 1 1 1 1 1 1401 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.9512 *614.9521* 614.9521@4.319464 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 2961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 614.9521 *615.4516* 615.4516@4.3286986 1 1 1 1 1 1 1 1 1 1 1686 1 1 1 1 1 1 1 1 1 1856 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 2565 1 1 1259 1 1 1 1 1067 1 1 1 1157 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 2357 1 1 1 1 1 1 1 1 1 1 615.4516 *615.4533* 615.4533@1.2020589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1428 1 1 1 1 2776 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 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.4533 *615.4546* 615.4546@1.6660973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.4546 *615.4628* 615.4628@1.2069129 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.4628 *615.5275* 615.5275@1.037735 1 1 1 1 1 1 1 1 1 5704 4934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8947 6916 1 1 1 1 1 9413 1 1 1 1 1 1 1 1 1 1 1 1 1 186111 1 1 1 1 1 4374 11281 16321 1 1 1 1 1 1 1 1 1 9875 1 1 1 1 1 6040 1 8319 6819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.5275 *615.8204* 615.8204@0.9760392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1 1 1 1 1922 1 1 1 1 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.8204 *615.8308* 615.8308@0.97786677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.8308 *615.9039* 615.9039@0.9802969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 615.9039 *615.9307* 615.9307@0.97328514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 615.9307 *615.9478* 615.9478@0.97439015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 615.9478 *616.1574* 616.1574@0.9756527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.1574 *616.3637* 616.3637@1.0402142 1 1 1 1 1 1 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 2099 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 2062 2056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.3637 *616.4187* 616.4187@1.2233016 1 1 1 4801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.4187 *616.4337* 616.4337@1.2169805 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.4337 *616.474* 616.474@1.0599908 1 1 1 1 4041 1 1 1 4983 1 1 1 1 1 1034 1155 1 1 1 1 1 3778 1 1 1 1 19588 16106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5895 1 1 1 1 1 3770 1 1 1 1 1 9030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.474 *616.485* 616.485@1.0620844 1 1 1 1 1 1935 1671 6232 1 5302 1 1 1 1053 1 1 1 1 1 1 1455 1 1 1 1 1 1 1 2043 1396 1 1 1 1 1 1 1510 1639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1592 1 2185 1 1 1 3577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1746 1 1 1 1 1 1 616.485 *616.4974* 616.4974@1.0600555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.4974 *616.5292* 616.5292@1.0322349 1 4186 1 1 1 1 1 1 1 1 7001 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 1 1 5022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 616.5292 *616.7407* 616.7407@0.9802969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 616.7407 *617.1435* 617.1435@1.7655475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1972 1 1 1 1 1 1 1 1 1 1 617.1435 *617.3935* 617.3935@1.0424242 1 1 1 1 1 1 1 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 1312 1989 1 1 1 1 1 1 1 1 1696 2174 1 1 1 1 1 1 1 1 1404 1201 1717 3093 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 1 617.3935 *617.3977* 617.3977@1.049791 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.3977 *617.4202* 617.4202@1.1901451 1 1 3854 4872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1217 1293 1 1 1 1 4730 4666 1 1 1 1 1 1 1 1 1 1 1 1 3773 3560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4512 4088 1 1098 1 1 1 1 3656 3331 1 1 1 1 1 1 1 1 1 1 1 1 617.4202 *617.4296* 617.4296@1.1952616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 617.4296 *617.454* 617.454@1.0668156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.454 *617.4678* 617.4678@1.063582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.4678 *617.4846* 617.4846@1.0654511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.4846 *618.1363* 618.1363@1.7700453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2129 1 1 1 1 1 1 1 1 1 1 618.1363 *618.413* 618.413@4.3907156 1 1 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.413 *618.4153* 618.4153@4.5080366 1 1 13621 12450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4732 4081 1 1 1 1 7544 7841 1 1 1 1 1 1 1 1 1 1 1 1 6423 6274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7756 8366 5574 6300 1 1 1 1 4730 4787 1 1 1 1 1 1 1 1 1 1 1 1 618.4153 *618.4724* 618.4724@1.2011304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.4724 *618.4846* 618.4846@1.0741345 1 1 1582 1635 1 1422 1 1 1 1 1939 2599 1291 1168 1 1117 1 1 1 1 1 1 1 1 1 1 1 1 1221 1456 1 1 1 1 1 1 1196 1240 1 1 1 1 1 1456 1 1 1557 1999 1 1 1 1 1 1 1 1 1 1 1760 1 1 1 1 1 1 1 1 1 1 5252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 618.4846 *618.7339* 618.7339@6.031876 1 1 94158 92354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 30462 1 1 1 1 19534 1 1 1 1 1 1 1 1 1 1 1 1 1 618.7339 *618.7363* 618.7363@6.0250983 1 1 2871 2644 5984 5860 1 1 1 1 1 1 2489 2231 1 1 1 1 1129 1 1 1 1 1 1 35625 1 1 1 1 28713 28578 1 1 1 1 5744 5858 1 1 1 1 1777 1720 24032 25153 1 1 1 1 1 1 1337 1284 1 1 1 1 1 1 1 1 1953 1625 2445 1 1 1 32719 34124 29358 1 1 1 1 1 1 20427 1 1 1 1 1 1 1 1 1 1 1 1 618.7363 *618.7382* 618.7382@5.7243686 1 1 3586 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 618.7382 *618.9171* 618.9171@4.5073934 1 1 6163 6693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2261 1899 1 1 1 1 3618 3710 1 1 1 1 1 1 1 1 1 1 1 1 2649 2514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4230 3769 3022 2615 1 1 1 1 1992 2105 1 1 1 1 1 1 1 1 1 1 1 1 618.9171 *619.0707* 619.0707@6.0345135 1 1 80220 78085 1 5128 1 1 1 1 1 1 2570 1 1 1 1 1 1420 1 1 1 1 1 31082 30313 1 1 1 1 1 1 1 1 1 1 4538 1 1 1 1 1 1 1678 1 1 1 1 1 1 1 1 1 1488 1 1 1 1 1 1 1 1 1 1 1 2197 1 1 30178 1 26136 24627 1 1 1 1 1 16521 1 1 1 1 1 1 1 1 1 1 1 1 619.0707 *619.0709* 619.0709@6.0180054 1 1 2365 2288 4936 1 1 1 1 1 1 1 1 2466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25153 24792 1 1 1 1 1 5048 1 1 1 1 2100 1 21134 21251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 1742 1704 1 1 1 1 28231 1 1 1 1 1 1 16895 1 1 1 1 1 1 1 1 1 1 1 1 1 619.0709 *619.0723* 619.0723@5.724364 1 1 2827 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.0723 *619.4053* 619.4053@6.0312834 1 1 48329 49275 3376 3267 1 1 1 1 1 1 1 1716 1 1 1 1 1 1 1 1 1 1 18639 18618 1 1 1 1 14654 15241 1 1 1 1 3123 3282 1 1 1 1 1 1 12936 12173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1374 1349 1297 1 1 1 17255 16874 15493 15910 1 1 1 1 10927 10328 1 1 1 1 1 1 1 1 1 1 1 1 619.4053 *619.4065* 619.4065@5.9463863 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.4065 *619.4089* 619.4089@5.91259 1 1 1895 1575 1 1 1 1 1 1 1 1 1853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1721 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.4089 *619.4114* 619.4114@4.6056776 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 1797 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 1 1 1 1 1 1 1 1 1 1 1 1 1580 1905 1 1 1 1 1 1 1 1 1 1 1 1 619.4114 *619.4283* 619.4283@1.7811692 1 1 7363 6680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.4283 *619.4286* 619.4286@1.2462705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 619.4286 *619.4292* C32 H61 N O10 8460 8645 34831 35749 11906 11155 10103 10271 9518 9036 8736 9128 9569 9459 9010 9618 8782 8849 10722 10394 8898 8808 9852 10052 16009 15516 9565 9891 9369 9159 23249 22194 10011 9551 8642 8810 8900 10222 9285 9005 10749 11844 9626 10204 23383 24236 10809 11437 2452 11162 11702 11758 12304 11741 10968 11158 11312 11038 16696 17939 6781 6411 8911 9699 6364 6448 5217 5835 20309 21434 12278 12266 5229 5812 5322 5270 15942 15599 8308 9151 6051 6356 10420 9996 5251 4849 5974 5369 7143 6539 619.4292 *620.3064* C31 H48 N4 O5 S2 17221 17804 15889 16315 31260 32269 19313 19273 22925 21940 6531 6996 25059 23724 19656 20946 26012 26019 20882 20857 25290 25857 8411 8038 15808 15297 1865 1635 23005 22462 22704 21976 17842 16850 9973 9931 3453 4074 12421 13053 9927 9814 8356 7899 5685 5828 17186 16638 12621 13186 9602 9835 13247 12045 4556 4675 8049 7345 6098 6564 9766 9646 10150 10271 8987 8696 3665 3385 14415 15639 7250 7512 5178 5227 9461 9203 15479 15185 3118 3118 2781 2807 6487 6678 2908 3069 8850 9030 7447 7628 620.3064 *620.3869* C20 H48 N18 O3 S 3468 3638 43811 42918 10449 10603 7394 7566 6643 6673 8884 9532 12276 12689 3339 3540 4694 4868 7660 7462 4872 4734 2982 3584 24203 25417 4898 5047 5522 5080 25607 24379 2738 2258 4873 4700 11722 11792 5497 5908 6483 6626 14678 14084 27804 27146 9888 8811 6099 6114 4135 3647 9264 9201 5190 5271 6903 6806 5405 5347 6976 6790 7700 7970 9654 9580 2323 2451 32629 32604 20693 22054 3734 3646 2795 3528 18534 17595 7698 8545 3942 4191 3550 4300 6465 5843 4649 4171 2955 3047 620.3869 *620.3985* 620.3985@4.8459897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 1 1 1 1 1 1 620.3985 *620.4003* 620.4003@6.014314 1 1 1 1 1 1 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 1 620.4003 *620.4716* 620.4716@1.03121 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.4716 *620.4792* 620.4792@1.0332638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3780 3226 1 1 1 1 1822 1 1 1 1 1 1 1 1 1 1 1 4304 1 1 1 1 1 1 1 1 3551 3896 1 1 1 1 1 1 1 1 1 3111 1 1 1 1 1 2797 1 2842 1 1 1 4186 1 1 1 39350 1 1 1 1 1 1 1 1 1 1 3102 1 1 1 1 1 1 1 620.4792 *620.4822* 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 26167 27726 1 1 22768 22840 18768 19474 19027 1 30717 2388 1 1 10517 1 20233 16776 18873 21675 13088 1 23516 23713 21122 23191 1 1 1 16742 1 21193 1 30789 28570 23824 29551 27705 28324 28137 23109 23618 21003 20941 15980 16311 27556 25729 23026 22375 1 1 26741 27028 1 32754 40403 40207 19988 20561 19746 20232 22264 20225 28097 28232 42581 43098 1 1 35969 3998 35554 35632 18789 20329 23485 25104 1 22763 26282 26803 25947 26475 25867 27810 25908 28026 20312 22183 620.4822 *620.7197* 620.7197@6.0271754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.7197 *620.8702* 620.8702@5.3252425 1 1 1 1 1 1 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 1877 1 1 1 1 1 1 1 1 1 1 1 1 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 2784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 620.8702 *620.8882* C24 H3 N3 O12 S3 1685 1752 22719 23069 5922 5155 3261 3361 2998 3157 4752 4669 5799 6401 1497 1608 2269 2351 3694 3840 2905 2426 1791 1784 13949 13610 2409 2046 2021 2611 13939 13692 1 1318 2636 2116 6063 5762 2578 2727 3189 3200 7462 7251 14687 15110 4375 4856 2988 2779 1 1851 4587 4541 2488 2638 3399 3547 2688 2680 3651 3056 3584 3910 4465 5179 1225 1715 17241 17932 11332 11559 1960 1 1926 1883 9409 9486 4393 3683 2106 2153 1500 1 2782 3151 2418 2199 1 1877 620.8882 *621.0511* 621.0511@6.0324235 1 1 2286 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.0511 *621.0718* 621.0718@1.6273646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1855 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1630 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.0718 *621.3575* C39 H47 N3 O4 1 1 1512 1978 1911 1266 1230 1285 1460 1 1556 1768 2757 2769 1 1 13418 13313 1391 1327 1044 1 1 1 1 1585 1511 1062 1788 1606 1273 1388 1 1 1 1 1 1 1 1063 1 1 3172 3087 1885 1630 1 2568 1280 1527 1270 1 1204 1378 1388 1288 1644 1961 1397 1450 1312 1129 1 1134 1149 1029 1 1 2408 2182 1191 1419 1 1 1 1 1 1 1638 1904 1 1 1 1 1117 1 1 1 1 1 621.3575 *621.488* 621.488@1.0414399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1065 1 1 1 1 1 1 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 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.488 *622.0799* C40 H10 N6 O3 1 1 1247 1 1 1 1 1272 1681 1657 1 1 1 1 2038 1785 1 1 1685 1889 1 1 1681 2100 1 1 4012 4375 1 1 1527 1571 1 1 1 1 1 1 1 1 1551 1 1 1609 1 1254 2109 2035 1690 1679 5323 4266 1569 1982 1764 1656 2859 3073 1 1 1 1 1 1 1 1 1 1 1400 1389 1 1 1 1 1 1 1 1 1 1 1 1 1 1874 1 1 2784 2904 1 1 622.0799 *622.2404* 622.2404@1.1754383 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.2404 *622.4457* C30 H66 N6 O S3 7198 6405 5273 6499 6613 6134 4492 7594 6641 6688 6428 6364 5514 6030 6390 5258 6141 7909 4330 4260 6329 5288 6607 6963 5903 6818 6690 5811 5795 5581 6491 6729 5186 4757 8535 6966 4460 4072 4113 6906 6550 7189 7632 6995 5299 7096 7133 9081 1 4746 8473 6090 7175 4909 7642 6352 8845 7774 13850 8051 6334 4073 4570 3490 4915 4860 4336 4561 4604 7061 3963 4350 3610 5116 7028 3879 5211 5443 3937 5053 3346 4306 4892 5356 5955 4197 4618 4207 3600 4435 622.4457 *622.4457* C22 H54 N16 O5 1 13307 5348 5319 10076 1 1 10972 1 1 3665 5431 1 1 6594 8157 1 1 7275 4561 1 7426 9073 9064 6333 10195 8167 1 10684 6772 13172 10813 1 2274 15300 1 1 4756 5457 5184 1 1 6257 7917 1 8825 7506 1 1 7330 13354 1 1 1 9287 1 1 1 7688 1 1 3771 5091 3160 4481 1 5946 1 4871 3917 1 3690 4379 4633 7461 7174 6149 4164 1 1 12339 1 1 3662 1 5195 1 3636 4404 4288 622.4457 *622.4465* 622.4465@4.3301826 1 2346 1 3244 1 1 1 3458 1 1 1 1 1 2479 1 3413 1 1 2655 2087 1 1 4236 1 1 1 1 1 5429 1 3018 1 1 5483 1 1 1 1 1 2086 1 1 4949 1 1 1 1 2416 1 1036 1 1 3086 1 1 2213 1 2021 1 1883 1949 1 1 1435 1 1 2543 1 1 5530 1 1 4299 2412 1 1985 2718 1 1 1 1 1 1 1 1 1 1 1 1 1 622.4465 *622.4465* 622.4465@4.3743863 1 1 2720 5254 3249 1 1 1 1 1 6177 10241 1 1 1 2834 1 1 1 6390 1 5305 1 1800 5197 2278 5458 1 1 1 1 1 1 9569 1 1 1 1 4242 1 1 1 4928 1 1 1 9701 1 1 8456 1 1 1 1 8444 1 1 1 1 1 4031 1 2687 1768 6785 1 4278 1 1 1 1 3666 3425 4736 1 1 3768 6880 1 1 1 1 1 7021 1 1 1 1 1 3438 622.4465 *622.9463* 622.9463@4.3400197 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 1 1 1 1 622.9463 *622.9478* 622.9478@4.3561506 2274 1144 1 1 1 1 1778 1 1408 1 1 1 1 2435 2684 1218 2234 1 2127 1722 2078 1952 1256 1 1 1477 1 1226 1 2704 1 1 1 1 3938 2189 4830 3207 3760 1 1 7329 1 1 2387 1 4486 1 1 1434 4425 1 1 1 1 1 3082 1 3044 1 1 1 1 1075 1 1410 1 1 1685 3973 1 2606 4200 1 1480 1 1 1 1 1769 1 1 2242 1172 1 2313 1 2307 1 1 622.9478 *622.948* C27 H5 N5 O10 S2 3116 4044 3595 4326 4406 3190 4624 4767 3974 4668 4087 3952 2778 3854 4903 2981 4117 3779 3823 4542 4892 3737 4714 4087 4719 4929 6733 3458 4463 2795 1 4583 3906 1587 4026 3353 3022 3584 3216 2428 5011 4406 3310 4402 3943 4190 3687 6431 5713 3985 5211 4768 5042 4504 1469 4953 5345 5308 4900 5792 3601 2531 3119 3271 2909 2890 3402 2000 2749 1917 2730 1995 3247 3862 4050 1651 3577 4604 2327 3534 4374 3076 4260 2638 1975 4221 2900 3356 2593 2238 622.948 *622.9482* C25 H5 N O19 5501 3880 3095 1 4155 1471 7254 1 1794 1 3590 1 8944 2817 1092 5529 5796 1 1 1787 7765 4988 1265 1 1 2897 1 4580 1 2280 4977 1 1 1 4517 1518 2951 1660 4578 3071 1 2442 3653 1544 9827 6441 3933 8600 1 4791 4697 1 1 1 5501 3299 4761 6540 4692 1 2835 1 1984 1 2888 6312 2412 2619 3858 3703 1 1736 2971 4057 3625 1 2869 9846 2380 3013 8749 5885 3403 2365 3209 6151 3814 3765 3151 3465 622.9482 *622.9483* 622.9483@4.4753184 1 3684 1 1 1 1 1 1 6938 1 1 1 1 1 5884 1 1 1 1 3335 1 1 6174 1 1 3793 1 2906 1 1 1 1 1 1 2659 1 1 1 1 1 1 1 1 1 1 1 4618 1 1 1 1 1 1 1 1 1 5823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.9483 *623.2303* 623.2303@0.986967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.2303 *623.2313* C36 H30 Cl N9 39909 41161 53335 52945 44989 45715 42192 41446 52036 52077 29929 30393 49520 49013 48564 48215 26831 27365 43970 42660 49771 49600 46039 46096 37840 41144 37858 38923 38627 37386 30658 29634 29373 29594 31493 30972 28300 13407 31489 30922 27013 27231 36639 37214 23688 27315 28602 10324 29543 29467 26098 25093 7429 25441 24547 23776 24172 25067 29767 28452 18881 17225 18502 17444 18291 20153 12358 13187 20131 20273 10012 10787 16505 15999 18295 17748 12921 13304 14036 13510 15633 16593 15191 14881 20017 19563 17546 16952 22972 23721 623.2313 *623.3699* 623.3699@6.3652267 1 1 1129 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.3699 *623.3783* 623.3783@1.0728046 1 1 1 1 1 1 1 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 1147 1 1 1 1 1 1 1 2225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1390 1814 1 1 1 1 1 1 1 1 1 1 1357 1 1 1 1 1 1 1 1 1 623.3783 *623.3866* 623.3866@1.0728084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1915 1 1 1 1 1 1 1 1 1 1 2098 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 1 1 1 1 623.3866 *623.4084* 623.4084@5.99763 1 1 6033 6408 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 2006 1877 1 1 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 1845 1611 1259 1690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4084 *623.4365* 623.4365@4.7371225 1 1 1 1 1 1406 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1 1 1 1 1325 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4365 *623.4378* C32 H53 N11 O2 1896 1682 1730 2365 2885 1040 1 3035 2414 3277 2474 3651 1967 2842 2777 4755 3162 3247 1704 3142 3200 4745 2531 2527 2921 2257 2219 3195 1992 2416 1390 2147 1900 2210 2584 1011 1863 2592 1437 1 1544 2249 5595 8116 2623 1 1023 1 1830 4627 2312 2896 2349 2864 2827 2970 3266 1 1931 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 2172 1 1 1 1 1 623.4378 *623.4436* 623.4436@4.679331 1 1 1 1 1748 2757 1 1744 1 1 1 1 1 1 1 1 1 1176 1 1609 1 1932 1 1 1223 1 1 1 1 1 1 1 1 1 1 1623 1 1 2183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 1617 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.4436 *623.4514* 623.4514@4.459666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 623.4514 *623.7072* 623.7072@6.3592124 1 1 1311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.7072 *623.7419* 623.7419@5.99794 1 1 5032 4941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1824 1 1 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 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 1202 1383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.7419 *623.941* C18 H15 Cl3 N8 O5 S3 1 2844 1 1842 2850 3644 1 1141 1 1 4444 2948 1 1806 2495 1 2328 3549 1372 1 3812 1 1142 2356 2371 2113 1791 3915 2098 3369 1 2085 1260 2643 3267 1555 3366 1 1588 2777 1 1 2947 1 3676 1924 3574 1 1453 1 2606 2715 2142 4229 3533 2543 2505 2270 1107 2559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 623.941 *623.9434* 623.9434@4.6243787 1 1 1 1 1 1 1 1 1 1 1 1 1 1717 1 1 1 1 1704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1269 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 1 623.9434 *624.0745* 624.0745@6.00231 1 1 3257 2895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.0745 *624.0793* 624.0793@1.0521793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.0793 *624.2319* 624.2319@0.9740666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17618 1 1 1 1 1 1 1 1 1 7737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.2319 *624.247* C37 H40 N2 O3 S2 6636 6451 5009 4136 5386 5723 6310 6431 6136 5555 4514 5070 6662 5418 5096 5812 6052 5660 6503 6351 4961 5235 5971 5907 3079 3220 5875 5718 5049 4483 2913 3198 3839 3972 4291 4044 5670 5693 5395 5418 4833 4407 6220 6014 5509 6167 6087 6844 5790 5627 3471 3545 4015 3996 4333 4263 5645 5155 3434 3048 2235 1 1624 2670 1714 1297 1420 1704 1928 1924 3180 3217 6413 6230 7147 6923 5152 5060 4778 4224 3894 4517 3491 3462 5195 5812 5017 4744 5862 6191 624.247 *624.3111* 624.3111@1.1429865 1 1 1 1 1 1 1824 1300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1507 1 1 1 1 1 1 1 1 1 1 624.3111 *624.3731* 624.3731@1.0734005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1096 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 2215 1 1891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.3731 *624.3827* C34 H60 N2 O2 S3 2340 1850 1 1226 1 1 1 1 2184 1628 1 1 1 1 1 1 1 1 1 1 2728 2466 5104 5208 1 1 1121 1 1940 1 5167 6201 4038 1 2150 1647 2379 2604 1 1 8385 7502 1 1 1 1 1 1 1 1 3650 3902 7693 9851 1 1 2299 1 1 1 1 1 1 1 1 1 1279 1953 3714 3215 1 1 2205 1 2208 1 1 1 2990 3274 5045 5687 3805 4044 1 1 2307 1362 4030 3369 624.3827 *624.505* 624.505@1.2138467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10813 10592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.505 *624.7235* 624.7235@8.05668 1 1 1956 1841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.7235 *625.0592* 625.0592@8.085727 1 1 2016 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 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 1 1 1 1 1 1 625.0592 *625.1524* 625.1524@2.0390716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.1524 *625.2263* 625.2263@0.9748916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.2263 *625.245* 625.245@1.0545927 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 625.245 *625.3403* 625.3403@1.0661922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 625.3403 *625.3477* 625.3477@1.0624031 1 1 9664 9421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2746 2599 1 1 1 1 8033 8077 1 1 1 1 1 1 1 1 1 1 1 1 3530 3196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9281 9266 2162 2135 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 625.3477 *626.0769* 626.0769@1.0521375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.0769 *626.1132* 626.1132@1.761538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.1132 *626.1493* 626.1493@2.0470822 1310 1510 1136 1146 1 1 1 1 1359 1936 1 1 1129 1202 2297 2361 1088 1138 1213 1038 1 1 1182 1134 1 1 1352 1261 1 1 1 1 1 1 1 1 1114 1158 1120 1 1 1 1 1 1 1 1 1 1010 1010 1 1 1 1 1393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2103 1528 1408 1 1 1 1 1 1158 1 1 1201 1285 1 1 1 1 1 1 1 1 626.1493 *626.2284* C36 H38 N2 O4 S2 5569 5500 8923 4955 7607 7402 6583 5699 7901 5063 4898 4364 7294 7867 7784 7370 3997 2854 6145 6472 8464 8024 6543 6697 6455 5846 1 5989 5865 5741 3145 3556 4144 4916 4716 4234 3986 1 3118 5017 3576 2597 5721 5184 4032 3583 3902 1 4339 4737 3872 3346 3669 3464 1 3377 3259 3809 5653 4460 1 3061 1604 1605 2435 1 1 1 3575 3286 1 1 1759 1322 2416 2779 1 1 1 1 2556 1532 1 2044 2620 2847 1947 1371 3204 3257 626.2284 *626.4097* 626.4097@4.401469 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.4097 *626.4134* 626.4134@4.657284 1 1 5914 5738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1543 1549 1 1 1 1 2130 1830 1 1 1 1 1 1 1 1 1 1 1 1 2103 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2875 2723 1956 1947 1 1 1 1 1317 1428 1 1 1 1 1 1 1 1 1 1 1 1 626.4134 *626.9132* 626.9132@4.646856 1 1 2917 3021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1058 1447 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 626.9132 *627.142* 627.142@9.31848 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.142 *627.1772* C23 H29 N7 O14 1981 2108 2912 2720 4672 4661 2269 2366 3711 3883 3370 3628 3221 3437 4189 4103 2928 2906 3488 3559 2734 2858 3231 3514 1986 1521 3635 3309 3365 3344 3576 3833 4540 4443 2697 2648 2728 2149 2707 2760 3738 3638 1798 2552 1898 1797 2897 2552 3251 3134 3857 4220 3808 3541 4117 3597 1301 1075 3213 3157 3380 2866 3535 3641 1845 2345 2193 2303 2744 3600 3705 3665 1876 2356 1 1 1546 1928 2617 2548 2415 2221 3392 2572 1 1 1307 1762 1200 1364 627.1772 *627.1778* C25 H21 N15 O6 1587 1427 1 1316 1 1 1 1 1619 1781 1296 1 1697 2074 1966 1985 1 1447 1629 1363 1233 1312 1645 1783 1402 1417 1960 1669 1567 1410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1681 1790 1528 1632 1313 1011 1889 1920 1 1 1 1 1496 1601 1 1 1 1166 1182 1 1 1 1545 1 1 1 1 1 1653 1 1 1 1 1816 1 1 1 1 1722 1473 1 1081 627.1778 *627.1975* 627.1975@1.0038905 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5170 1 1 1 3284 1 1 1 1 1 1 1 1 1 1 1 7320 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 3189 3139 1 1 1 1 1 1 1073 1 1 1 627.1975 *627.2088* 627.2088@0.99395835 1 1 1 6140 1 1 1 1 1 6077 1 1 1 1 1 1 1 1698 1 1 1 1 1 1 1 1 3474 1 1 1 1680 1 1 1 1 1 1 1 3225 1 1 2611 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 1 627.2088 *627.2231* 627.2231@0.9891821 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 627.2231 *627.4894* 627.4894@1.2275771 2624 1 1 1 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1801 1928 1 1 1 1 1 1 1 1 2175 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 1190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 3228 1 1 1 1 1 1 627.4894 *627.4934* 627.4934@1.1479391 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.4934 *628.181* C43 H29 Cl O3 4958 4726 3613 3619 1 1 1782 1843 4966 4693 3016 2811 6189 6083 6417 6432 3973 4358 4818 5114 4273 4399 5937 6155 4064 3975 5873 5428 4220 4187 3264 3103 1 1 1945 1951 3062 3087 3498 3663 2469 2463 1 1 3332 3238 2360 2457 4985 5274 5657 5873 4160 3838 6428 5986 3012 2744 3389 3476 4397 4465 1472 1357 3767 3754 3341 3192 3942 3696 3800 3741 1206 1175 1871 1700 4442 4759 2516 2538 5784 5788 2443 2022 3056 2463 5019 4569 3610 3525 628.181 *628.2041* 628.2041@0.99707454 1 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.2041 *628.7384* 628.7384@6.147915 1 1 1658 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.7384 *629.0744* 629.0744@6.152759 1 1 1761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.0744 *629.1785* C20 H35 N7 O12 S2 9360 8347 6927 6866 1165 1621 3145 3271 9404 9721 5365 5158 11940 12286 11728 13102 8393 8544 9376 9321 7645 8428 10868 10971 7121 7343 10997 11549 8411 8228 5652 5742 1 1 3361 3702 5197 5204 6302 6855 4266 4605 1262 1 6046 6108 4121 4297 9967 10401 10960 11357 7115 7373 11430 10890 4399 4878 6339 5722 9398 7762 2895 2308 6630 7323 5748 6527 7116 7333 6926 6668 1821 1633 2989 2975 8964 9345 4762 4449 10941 12006 4424 4667 5341 5553 9243 9110 6352 6513 629.1785 *629.3717* 629.3717@4.260709 1 1 3912 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.3717 *629.4721* 629.4721@1.4838241 1 1 1 1 1 1 1 1 1 1 1 1 1 2916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.4721 *629.877* 629.877@4.260209 1 1 1737 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 629.877 *630.1135* 630.1135@1.9514976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1429 1351 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1100 1 1 1 1 1 1 1 1 1890 1477 1 1 1 1 1 1 1 1 1 1 1 1 1366 2616 1 1 1 1 630.1135 *630.1151* C33 H14 N10 O5 1071 1 1070 1 1 1 1136 1244 1 1018 1418 1303 1 1 1 1625 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 1696 1715 10158 10190 6192 6733 4371 4191 1 1 1060 1 3991 4529 1 1 1 1 3634 3533 1 1 1 1 4537 4831 3790 3654 3999 3951 1 2465 1 1 1772 1986 5776 5150 1247 1159 1882 1787 1 1 1 1 1552 1791 1 1 3395 1412 1 1 1 1 630.1151 *630.2092* 630.2092@1.0428762 1 1 1 1 1 1 1 1 1 1 1 1 1245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 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 1 1672 1905 1 1 1287 1515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.2092 *630.5668* 630.5668@1.1417809 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 630.5668 *631.4288* 631.4288@1.2521636 1 1 8696 5744 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 4525 1 1 1 1 1 1 1 1 1 1 1 1 1 4097 3499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3724 4896 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 631.4288 *631.432* 631.432@1.1961156 2710 1 5793 3950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2766 1 1 1 1 5094 9887 1 1 1 1 1 1 1 1 1 1 1 1 1 4298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1634 1 1 1 1 1 1 4747 4009 3596 3481 1 1 1 1 6052 5914 1 1 1 1 1 1 1 1 1 1 1 1 631.432 *632.1419* 632.1419@2.0481546 1112 1115 1 1185 1 1 1 1 1451 1 1 1 1 1554 1703 1652 1 1 1046 1226 1112 1092 1149 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1085 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 632.1419 *632.4221* 632.4221@1.04792 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 632.4221 *632.4362* 632.4362@1.2242982 1 1 1 3592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 632.4362 *633.1362* C18 H39 N3 O13 S4 4831 4252 3699 3787 1109 1018 2181 2144 4973 5036 3098 1 5330 5143 5684 6092 4587 4364 4547 4383 4041 3827 4633 4674 3987 3779 5003 4939 3805 3435 3456 3039 1 1 2218 2064 3453 3146 3479 4282 2350 2614 1 1 3654 3126 2265 2613 4863 4611 1 4095 3765 3525 5052 4513 2690 2760 3277 3129 3605 3381 1810 1613 3420 3607 3167 2772 4053 4025 2914 3216 1320 1251 2038 1830 3165 3579 2463 2359 4276 4424 2387 1785 2638 2191 3384 3913 2818 2355 633.1362 *633.3998* 633.3998@1.0559529 1 1 1 1 1 1 1 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 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1434 1196 1 1 1 1565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 1 1 1 1 1 633.3998 *633.4107* 633.4107@6.025293 1 1 1 2139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.4107 *633.4127* 633.4127@6.1177635 1 1 78649 76310 5145 5002 1 1 1 1 1 1 2278 2311 1 1 1 1 1 1 1 1 1 1 27034 28964 1 1 1 1 24183 24356 1 1 1 1 5453 4930 1 1 1 1 1614 1825 20426 20743 1 1 1 1 1 1 1339 1469 1 1 1 1 1 1 1 1 1749 1512 1 1830 1 1 28045 28013 24568 26156 1 1 1 1 15873 16719 1 1 1 1 1 1 1 1 1 1 1 1 633.4127 *633.4144* 633.4144@5.822669 1 1 2573 1954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.4144 *633.4202* C33 H59 N7 O S2 1 1 29974 30147 2293 1797 2329 1 1 1 1 1 2344 3616 1 1 2533 1967 1615 1 1 1 1 1 10147 11177 1 1 1 1 12976 11828 1 1 1 1 2554 2913 1 2204 1 1501 1462 3402 8889 10027 1820 1610 1 1 1685 4619 1957 2866 1 1 1 1 3888 1 1 1 1514 1842 2058 2127 1 1 13387 13960 11187 12181 1 1 1 1 7167 6735 1 1 1 1 1 1 1 1 1 1 1 1 633.4202 *633.4212* C33 H51 N11 O2 2740 2487 241398 244391 18702 19895 8905 9101 4178 4672 1891 3741 24572 24792 1 3232 8060 6841 10394 12652 3701 4228 3777 1 88985 87939 3826 2423 2214 4901 120529 119584 1851 1 3984 4447 9376 9111 5091 4831 8291 7954 10657 11443 99476 99788 10323 11394 1 4534 4799 1649 15704 13199 3298 4787 2453 3003 1985 3893 8618 8611 12774 12918 15407 14239 1 1 143008 140603 106662 107307 2762 2142 2732 1942 77302 76952 8067 7953 1632 1977 1647 1 3067 1 1717 1906 1 1 633.4212 *633.4296* 633.4296@4.558871 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 1 1 1 1351 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.4296 *633.4431* 633.4431@1.5325164 1 1 1 1 1816 1 1 1 1 1 1 1 2232 1 1 2309 1 1 3070 1 1 1 1 1 1 1 1 1 1 3365 1 1 1 1 1 1 1 1 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 3824 1 1 1 1 1 1 1 130650 1 3323 1 2375 1 1 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.4431 *633.4433* 633.4433@1.6547847 1 1 1 1 1 1 2075 1 1 2107 1 2276 1 4531 1 1 1 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3597 1 1 1 1 1 1 1 1 1584 1 1 1 1 1 3263 1 1 1 1 1 1 1 1 2614 2457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 633.4433 *633.4448* C33 H63 N O10 + 1.7544464 10662 10115 221274 213766 34432 32867 17071 20035 19725 19113 13000 10994 29896 27499 23769 25306 22504 18889 27594 31442 19012 17668 15660 17674 60215 58257 18924 19012 25465 22449 156707 138751 29547 25535 10420 13598 14061 12407 16854 21124 32588 36442 8098 9805 107769 97501 19614 20929 26109 25263 22770 24099 29920 27680 23176 25446 4738 5089 16946 19500 34651 30696 35933 32657 31032 26805 15450 15666 145062 151981 62053 60361 13185 13623 9773 8418 86883 89419 20521 19668 17436 17942 26271 21538 4986 4026 13345 14960 18085 17765 633.4448 *633.445* C33 H63 N O10 55398 53867 1112943 1113106 159816 158238 85931 87684 83910 86248 64007 63557 136114 134688 110791 110795 94633 95992 138048 134629 78572 82078 76385 76497 303753 302329 87608 75738 106627 110116 710510 709180 120402 118432 66429 64570 60832 59761 80388 76293 159809 156473 64509 66980 506552 519775 86050 88817 117111 117440 117967 115848 142989 138635 113007 110770 28789 28670 93796 93233 1418 21074 161238 167736 130740 131168 73335 76073 706828 709805 332884 334168 62544 60750 46847 48362 497168 504220 111875 110617 95322 98415 119686 126328 30527 29790 70519 70251 78171 14415 633.445 *633.4455* 633.4455@1.1561099 1 1 25004 15332 1563 1505 1 1 1 1 1 1 1987 2194 1 1 1 1 1899 2729 4815 1 1 1 5954 5697 1 1 1 1 10267 11084 1 1 1 1 1 1 1 1 1 10078 1 1 6115 13286 1 1 1 1 2374 1 2059 1692 1 1 1 1 1 1 152383 1448 1 1 1071 1 1 1 14704 14769 6565 11268 1 1 1 1 10355 9588 1 1 1 1 1 1 1 1 1 1 1 67096 633.4455 *633.7412* 633.7412@6.0325327 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.7412 *633.7413* 633.7413@1.2096746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4127 1 1 1 1 1 1 1 1 1 1 1 1 1 633.7413 *633.7433* 633.7433@1.219307 1 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 2268 3747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5503 1 1 1 1 1 1 1 3993 1 1 1 1 1 1 1 1 1 1 1 1 633.7433 *633.7471* 633.7471@5.822174 1 1 1796 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.7471 *633.7472* 633.7472@6.117633 1 1 68608 68491 4311 3845 1 1 1 1 1 1 1858 2045 1 1 1 1 1 1 1 1 1 1 24569 23135 1 1 1 1 20976 20366 1 1 1 1 4219 3777 1 1 1 1 1 1 18023 16890 1 1 1 1 1 1 1274 1122 1 1 1 1 1 1 1 1 1023 1370 1797 1 1 1 23423 23855 20676 20795 1 1 1 1 12866 14608 1 1 1 1 1 1 1 1 1 1 1 1 633.7472 *633.8125* 633.8125@1.2102091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 633.8125 *633.8805* C22 H2 O21 S 29509 28284 28488 28377 28090 26708 27811 27920 30342 28896 28510 29038 28498 28816 28742 28640 27637 27669 28133 28114 30369 29689 29864 29231 27261 28001 28988 28323 26338 26389 29336 27743 29841 28754 27402 28091 27995 28181 28971 30012 29415 29758 27335 28007 28321 27809 28048 28828 30388 28397 41811 40565 35716 36415 33764 32734 30550 31689 30960 30366 39917 39471 30055 30783 35913 35255 35956 35230 29107 28839 45470 45295 29852 28612 32883 33407 42370 41532 41158 41240 44305 44524 41885 43784 44146 43648 41579 41139 35270 34995 633.8805 *633.8893* 633.8893@1.2227653 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1955 1 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 1 1 1 1 1 1 1 1 633.8893 *633.9016* 633.9016@3.4825137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.9016 *633.9048* 633.9048@1.222146 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.9048 *633.9222* C29 H2 N2 O14 S 1 1 145920 143989 10917 11674 5538 3862 1855 1872 1 1 14031 13862 1806 1893 3838 5021 6548 5827 1492 1 1 1 52308 52471 1500 1 1849 1 70572 72462 1 1 1764 2667 3257 3677 2335 1 5172 3908 5982 5830 4791 59393 5641 5390 1877 2096 1318 2192 8922 8836 1337 1653 1 1319 1 1946 5010 4846 6499 1316 9481 9704 1 1 8043 8176 6512 5963 1 1 1164 1234 44652 46032 3497 3523 1 1 1 1 1 1 1 1 1 1 633.9222 *633.9237* 633.9237@4.5773296 1 1 1 18670 1 1545 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 5225 5472 1 1 1 1 6881 6553 1 1 1 1 1 1 1 1 1 1 1 1 59363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5262 1 1 1 1 81529 83130 61967 62849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.9237 *633.9531* 633.9531@1.2122021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 633.9531 *633.9694* 633.9694@1.2224311 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 1 3087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1242 1 1 1 1 1 1 1 1 1 1 1 1 1 633.9694 *634.0401* 634.0401@1.2329597 1 1 5082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.0401 *634.0701* 634.0701@1.2254208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1159 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 1 634.0701 *634.0812* 634.0812@6.114679 1 1 38744 38394 2140 2316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14086 14141 1 1 1 1 11731 11263 1 1 1 1 2102 2343 1 1 1 1 1 1 10603 10175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13652 13303 12307 12306 1 1 1 1 7082 8825 1 1 1 1 1 1 1 1 1 1 1 1 634.0812 *634.1079* 634.1079@1.2233016 1 1 1 3029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.1079 *634.1333* C25 H26 N6 O12 S 8633 8782 6873 7612 1694 1730 3459 3381 9152 9208 5640 6223 10365 9634 11057 11875 7959 7969 8709 8696 7594 7752 9106 9336 7667 6995 9729 9674 7329 6639 6152 5664 1 1 4113 3998 6621 6125 7162 7574 4455 4378 1176 1361 7006 6727 4508 4919 8879 9031 6899 8083 6291 6762 9229 9329 4585 5037 5494 5999 6813 6620 2913 2982 6104 6023 5163 4805 7604 6934 5116 5499 2344 2211 3237 3276 6277 6654 4832 4794 7723 7306 4021 3320 4993 4455 6341 7179 5045 4241 634.1333 *634.2047* 634.2047@1.2279662 1 1 3794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.2047 *634.2183* 634.2183@4.627364 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.2183 *634.385* 634.385@5.490555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1249 1 1 1 1 1244 1124 1107 1195 1 1199 1190 1 1312 1 1399 1 1 1 634.385 *634.4184* 634.4184@1.1268421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13341 12595 1 1 1 1 1 1 1 1 1 1 1 1 4209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.4184 *634.4456* 634.4456@1.6892594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.4456 *634.4483* 634.4483@1.6588869 1 1 1 6050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1272 1 1 1 1 1 2123 1 1 1 1 1 1 1 1 1 1 3316 2560 1 3731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1554 1 1 1 1 1 1 1 2690 2019 1 1 1 1 1 1283 1 1 1 1 1 1702 1 1 1 1 1 1 1 634.4483 *634.4488* 634.4488@0.96088755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.4488 *634.4493* 634.4493@1.1804644 1 1 1 1 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 1158 1 1 1 1 1 1 2095 1 5806 1 1 1 1514 6878 1 1 1 1 1 1 1 1 1 1 1 2048 2845 1 1 1 1 1 1 1 1 2902 1 1 1 1 1 1 1326 1 1 1 1 1 1 1862 1 1 1 1 1 2204 1 1 1 634.4493 *634.4507* C32 H66 N4 O4 S2 67754 75754 65602 63921 69163 70106 72636 72915 69432 71633 75927 72256 67729 69232 66815 69002 71998 67469 72438 72217 69420 67059 67696 69800 71056 69108 74216 77152 65436 65116 63850 64858 72951 72834 75940 78313 80392 82728 37167 76898 70207 69935 71415 69184 73587 76435 69216 70954 73448 78547 64199 61342 64363 54121 64468 68490 77791 75967 64937 61559 68984 65314 76957 74284 73175 74329 81500 83150 74416 75169 70424 75322 80150 78964 78913 80282 75613 74517 69186 67391 72656 67313 63069 67393 79380 80803 74572 74226 70340 71682 634.4507 *634.4511* 634.4511@1.1278561 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 2496 3053 1312 2106 1 1 39020 1 2281 2362 1 1 1 1 1 1 2184 1 3967 1 1 1 1 3318 1 1 1 1 5809 1 4003 2916 4068 1 1 3718 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4256 1 1 1 1 2355 1 1 634.4511 *634.4666* 634.4666@1.1310737 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 1 1 1 1 1 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 1 634.4666 *634.7194* 634.7194@4.628364 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.7194 *634.7534* 634.7534@1.2233016 1 1 1 4956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.7534 *634.7755* 634.7755@1.2299635 1 1 3741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.7755 *634.834* 634.834@1.222146 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.834 *634.8596* 634.8596@1.211225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1433 1 1 1 1 1 1 1 1 1 1 1 1 634.8596 *634.8985* 634.8985@1.2233016 1 1 1 2909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.8985 *634.9247* 634.9247@4.534646 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.9247 *634.9466* 634.9466@1.223757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 634.9466 *634.9682* 634.9682@1.2159313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1044 1 1 1 1 1 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 634.9682 *634.9866* 634.9866@1.1886866 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 634.9866 *635.0362* 635.0362@1.2100544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.0362 *635.056* 635.056@1.2274512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 635.056 *635.1409* 635.1409@1.2294406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.1409 *635.1841* 635.1841@1.2233016 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.1841 *635.2484* 635.2484@1.228446 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 635.2484 *635.27* 635.27@1.2252948 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 1 1 1 1 1 1 1 635.27 *635.3717* 635.3717@3.8308105 1 1 3928 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 2733 2896 1 1 1 1 1 1 1 1 1 1 1 1 3846 4359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2461 3441 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 1 1 635.3717 *635.4239* 635.4239@1.1386149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.4239 *635.4416* 635.4416@1.1356068 1 1 1 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.4416 *635.4491* 635.4491@1.643498 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 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 1 635.4491 *635.4548* 635.4548@1.0988152 1 1 1 1 1 1 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 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 1905 1 1353 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 1 635.4548 *635.468* 635.468@1.1317436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.468 *635.6429* 635.6429@1.2264564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 635.6429 *635.6585* 635.6585@1.2110424 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.6585 *635.6734* 635.6734@1.231961 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.6734 *635.8616* 635.8616@1.2242982 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.8616 *635.9056* 635.9056@4.629 1 1 4975 4869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1660 1750 1 1 1 1 2176 2297 1 1 1 1 1 1 1 1 1 1 1 1 1994 1767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 2881 1814 2295 1 1 1 1 1264 1637 1 1 1 1 1 1 1 1 1 1 1 1 635.9056 *635.96* 635.96@1.2269676 1 1 1187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 635.96 *636.1554* 636.1554@1.945227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1035 1105 1371 1206 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1432 1508 1021 1027 1729 1710 1 1 1 1 1781 1704 1 1 1376 1455 1 1 1452 1274 1 1 1 1 1154 1268 1 1 1197 1461 636.1554 *636.3033* 636.3033@1.0857457 1 1 1 1 1 1 1 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 7235 100962 1 1 1 1 1 1 1 1 1 5730 1 1 1 1 1 1 1 1 636.3033 *636.3034* C31 H40 N8 O7 967314 960726 906422 901495 1132482 1017273 1020353 1023297 1093529 1038064 825320 844703 339695 1123875 1133452 1026521 1159415 1170471 1100761 863202 902494 1041413 1062377 1067524 924285 930197 960219 959332 1196519 1233387 1158379 1104076 898010 700895 824756 843289 847531 868831 876135 1002115 1081507 1071029 992744 1005222 1068647 1060454 1013824 997821 1045694 1041973 1153640 1161943 1103110 1095925 811026 792521 734998 743119 808879 810840 1412554 1394692 951868 267432 957553 860992 779475 779518 974117 972867 736398 153288 872816 853031 930085 928416 969336 975990 829782 825339 805130 677911 908962 913027 751672 760654 969119 880458 993449 1001351 636.3034 *636.4115* 636.4115@4.63561 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.4115 *636.435* 636.435@1.1240764 1 1 1 1 1 1 1 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 1 636.435 *636.4493* 636.4493@0.99201965 4273 1 1 1 1 1 1 1 1 1 1 4090 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 4767 1 1 3709 3584 4173 1 1 3404 3865 3670 1 1 1344 1497 1 4685 1 1 1 1 1 1 1 1 1 1 3931 1 1 1 1 1 1 1 1 3760 1 4289 3971 1 1268 2272 1 1 1 1 636.4493 *636.4513* 636.4513@4.626512 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.4513 *636.461* C24 H52 N20 O + 4.281072 8507 5209 1 10397 1 4369 3505 8349 8697 1 3377 10657 3591 5928 1 3558 1 1 1 6285 1 6799 1 1 2554 2719 1 1 1 1 3332 4178 1 7153 5417 1 1 1 4606 1 7501 1 5000 5687 1 3009 5247 1 1 5480 1 5606 1 13229 19371 1 4858 9733 3201 4852 1 1 3154 2130 6862 2309 5864 1124 5570 1 1 2168 7687 1325 1 1 1502 1 7547 1 1 1 4621 18992 2565 16773 5108 2670 4035 3990 636.461 *636.4612* 636.4612@4.2422886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5279 1 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 1 636.4612 *636.4618* C24 H52 N20 O 9224 9136 8751 8400 11019 6224 10052 11032 6462 8269 7784 5750 8290 7885 8522 8830 10488 9247 6317 8492 9022 9807 9977 9187 8542 8534 8736 7955 9259 9418 7926 9085 9067 10171 8938 7986 9116 9866 8829 7551 7743 10002 9229 10308 9730 12016 11910 9323 13072 11658 13442 10021 12648 9907 11923 11401 14197 11406 11641 15792 6518 7553 6212 5976 7304 6593 7647 6771 5384 6143 5884 6196 5933 6575 7615 9315 7557 5616 6253 6457 8145 6468 6561 7462 6794 7292 7105 7406 7149 6981 636.4618 *636.4618* 636.4618@4.3569736 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 5862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4683 1 1 1 1 1 1 7535 1 1 1 1 1 12623 1 7986 1 1 9054 1 12557 1 1 1 1 1 1 2478 1 1 1 1 1 2643 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.4618 *636.4622* C24 H52 N20 O + 4.41886 10416 1 5738 6149 1 10594 17000 11833 1 13001 12128 9242 13600 18491 1 8932 17491 1 1 1 6961 9377 6019 1 8421 14423 8607 1 1 1 15275 13846 1 11801 15707 1 1 10008 7869 8092 5287 9029 1 7008 1 8934 10459 1 1 8609 1 8800 1 4268 1 1 12376 10651 10955 12358 3539 1 1 1183 7050 6130 1 13369 8257 3492 1 2138 5722 5165 1 1 14750 1 8353 1 1 1 4726 1 6143 1 9406 11675 6624 5146 636.4622 *636.4628* 636.4628@4.315366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 636.4628 *636.4827* C36 H68 N4 O S2 3982 3311 5219 4702 7886 8183 4976 4916 5461 6441 5573 5166 8345 8646 10605 9714 7359 7213 8078 7153 5761 5045 4617 4462 5184 5708 6032 6094 10255 10226 13989 14121 9676 9292 4049 3447 4711 5025 7433 7970 11571 12558 4862 4956 5605 4865 6188 5775 6355 6397 10582 10199 12688 11962 9247 8977 1 1 5966 5114 12808 13067 12477 12357 11635 11722 7419 7575 10093 10696 8580 7633 4970 5068 2665 3212 8344 8380 5394 4895 7060 6698 11368 12031 1 1 6227 6274 5801 6183 636.4827 *636.5895* 636.5895@1.0133252 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 1887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.5895 *636.6062* 636.6062@1.0143335 1 3950 1 1 1 1 1 1 1 1 1 1 1 1435 1 1 5209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 636.6062 *636.6148* 636.6148@1.1307766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6401 7033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.6148 *636.6577* 636.6577@1.0132463 1 1 1 1 1 1 1 1 1 1 1 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 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 1 636.6577 *636.689* 636.689@1.0183847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1429 1 1 1 1 1 1 1 1 1 1 1 1 636.689 *636.716* 636.716@1.01039 1 1 1 1 1 1 1 1 1103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.716 *636.7248* 636.7248@1.010886 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 636.7248 *636.7397* 636.7397@1.0098475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.7397 *636.7577* 636.7577@1.0161285 1 1 1 1 1 1 1855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3030 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 1 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 1 1 1 1 636.7577 *636.796* 636.796@1.0161811 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 636.796 *636.8188* 636.8188@1.012344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4500 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 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.8188 *636.8456* 636.8456@1.019254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1192 1 1 1 1 1 1 1 1 1 1 1 636.8456 *636.8624* 636.8624@1.0145475 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.8624 *636.8721* 636.8721@1.0155424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.8721 *636.9068* 636.9068@1.0143775 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.9068 *636.9163* 636.9163@1.0108851 1 1 1 1 1 1 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 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.9163 *636.9391* 636.9391@1.0116484 1 1 1 1 1 1 1 1 2174 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.9391 *636.9508* 636.9508@1.0182478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 636.9508 *636.9631* C26 H7 N O19 2257 7141 5869 1 4194 1120 1 1 7682 1 2187 3463 3738 2618 3339 1 4318 9263 2509 1 1470 1 3795 1 4482 2941 2441 4523 1 5510 2975 3514 1 6226 4909 1065 3137 1 1 1 5804 1743 1404 6014 1 2940 4498 3591 1834 2810 1 10759 4813 1006 1 13431 1 1 2002 8777 1 1 4924 5323 1650 1 1261 1379 1 5329 3624 5448 2287 1376 1 2217 1756 1 3548 1463 1238 1 2361 1 2766 2563 5018 1171 4271 3427 636.9631 *636.9631* C23 H11 N O19 S 6215 4501 4757 4414 5492 5893 5531 6285 5465 4804 5401 4015 4165 4512 6285 5244 5658 5454 6448 5082 5707 4322 5613 4771 5344 4583 4514 5074 4775 5084 5201 5607 5322 10732 5046 6064 7300 4870 5421 4731 3075 5626 6198 6201 6454 6816 7402 6829 6853 7569 8302 7365 6966 7034 5795 7368 8792 8520 7260 8438 3216 2736 1612 3823 4187 3240 3346 2513 5789 1 5429 3434 3346 4423 1 4942 3805 4075 1 1794 4208 1169 2819 4280 4949 4956 2750 3564 4276 3285 636.9631 *636.9636* 636.9636@4.4136143 7914 1 1 1 4125 9833 1 1 2094 1 1756 6861 4043 1 4377 1 1 1 3737 1 5699 1 1 1 1 4988 5878 1 1 1 7773 7842 1 1 1 3493 5663 1 1 1 1 1 1 1 1 10847 6782 1 1 2588 1 8589 1 1 1 1 1 1 4808 1 1 1 3402 1 2778 1 1 1 1 1 1 1 1960 1 1 1 1494 1 1 1 1 1 4693 1 1746 3953 1 2981 1 1 636.9636 *636.9644* 636.9644@4.276213 1 1 1 1 1 1 1 1 1 1 3518 1 2599 3027 1578 1 1 1 1 1 2016 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3553 1 1 2005 1 1 1 1 1 1 1 1 1177 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 1371 2987 1 1 1 1 636.9644 *636.9647* 636.9647@4.4018707 1 1 1 1 1 1 1 1 1 1 4763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6429 1 1 1 1 1 1 1 1 1 1 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 1525 1 1 1 1 636.9647 *636.9651* 636.9651@4.2958713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 636.9651 *636.9664* 636.9664@1.0103679 1 1 1 1848 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.9664 *636.984* 636.984@1.0130641 1 1 1 1 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.984 *637.0857* 637.0857@1.0127971 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.0857 *637.1509* C23 H31 N11 O3 S4 1583 1315 1 1 1195 1121 1896 2080 1241 1105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2012 2072 1 1 2916 3091 3588 3334 3751 3125 2054 2078 1426 1125 1 1 3026 2920 1 1 1 1 2349 2570 1 1114 1826 1875 2917 2708 4399 4616 3189 3228 5156 5072 1 1 1301 1402 5197 5226 2420 2794 4023 3685 1923 1872 3560 3808 1841 1706 1094 1285 3373 3189 1 1 3349 3534 637.1509 *637.3025* 637.3025@1.0881466 1 1 1 1 1 1 1 1 1 1 1 1 1 3826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.3025 *637.3055* 637.3055@1.0057822 1 1 1 1 1 1 1 1 19818 1 1 1 1 27892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24527 1 1 21755 1 30713 1 1 1 1 1 1 1 1 1 1 1 1 1 17996 1 1 1 1 1 1 1 15645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30255 1 1 637.3055 *637.4375* 637.4375@1.2111341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 637.4375 *637.4491* 637.4491@0.98047847 1 1 1 1 1 1 1 1 1 1 1157 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.4491 *637.4575* 637.4575@0.97907096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.4575 *637.4632* 637.4632@4.4033966 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 1700 1 1784 1 1 1 1 1 1 1296 1 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.4632 *637.4669* 637.4669@4.430835 1 1 1 1 1589 1 1 1 1611 1 1 1796 1524 1 1817 1 1 1 1181 1 1 1 1 1 1287 1 1 1 1 1 1 2392 1611 1687 1 1 1136 1 1 1 1 1 1 1 1192 1 1596 2195 1969 1 1749 1 1 1287 1 1067 1 1438 1 1 3148 1817 1865 1 1 1 2465 1 1 1 1549 1 1 1 1515 1629 1 1 1 1 1 1 1 1 1764 2107 1 1 1 3437 637.4669 *637.598* 637.598@1.0116037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1124 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.598 *637.6138* 637.6138@1.0138884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.6138 *637.6328* 637.6328@1.017404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.6328 *637.6744* 637.6744@1.0098178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 637.6744 *637.6833* 637.6833@1.0130138 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.6833 *637.707* 637.707@1.0125488 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.707 *637.7267* 637.7267@1.0148854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.7267 *637.8297* 637.8297@1.0128393 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 637.8297 *637.8435* 637.8435@1.020405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 637.8435 *638.0833* 638.0833@6.0830345 1 1 4950 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 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1129 1279 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.0833 *638.1466* C25 H30 N6 O10 S2 1624 1750 1009 1073 1482 1581 2347 2875 1179 1484 1 1 1 1 1 1 1 1 1 1 1089 1 1 1 1 1 1 1 1 1 2924 2135 1193 1273 4396 4342 4744 4732 4688 4960 3152 2785 1618 1292 1 1 4397 4365 1 1 1 1 3651 3498 1238 1070 2234 2426 3849 4031 6518 6127 4483 3719 7289 7591 1 1 2195 1897 7472 8454 4023 3775 5816 5533 2788 2239 5127 4819 2372 2455 1262 1842 4617 4667 1 1 5970 5303 638.1466 *638.3268* 638.3268@1.0812671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1075 1 1 1 1 1 1 638.3268 *638.3832* 638.3832@6.430245 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.3832 *638.3935* 638.3935@1.1628332 1 1 2760 3518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3405 3120 1 1 1 1 1803 2109 1 1 1 1 1 1 1 1 1 1 1 1 1443 1318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 2517 2312 2095 1958 1 1 1 1 2746 2521 1 1 1909 2013 1 1 1 1 1 1 1 1 638.3935 *638.3976* 638.3976@1.220261 1 1 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2110 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 1 1 1918 1 1 1 1 1 1 1 2206 2637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.3976 *638.4167* 638.4167@6.0848308 1 1 4357 3941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1468 1 1 1 1 1 1090 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 1502 1 1292 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.4167 *638.538* 638.538@1.0146741 1292 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.538 *638.7482* 638.7482@6.0901585 1 1 2760 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.7482 *639.3588* 639.3588@1.0588739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.3588 *639.3973* 639.3973@8.156532 1 1 2041 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.3973 *639.4536* 639.4536@1.3092904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.4536 *639.4566* 639.4566@1.2485318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6531 6341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.4566 *639.5113* 639.5113@1.2058282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 639.5113 *639.5254* 639.5254@1.2052331 3773 1136 1 1355 1 1 1218 1132 1081 1 1101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1557 1 1 1287 1 1 1 1 1 1 1 1219 1 1 1 1 1 1698 1635 1653 1559 1430 1445 1467 1 1759 1702 1161 1231 2450 2508 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2672 1012 1 1 1 1073 1 1 639.5254 *639.7332* 639.7332@8.159071 1 1 1438 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 639.7332 *640.4278* 640.4278@4.6060033 1 1 16302 16279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4527 4082 1 1 1 1 7470 7477 1 1 1 1 1 1 1 1 1 1 1 1 5835 5949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8136 8218 6908 5974 1 1 1 1 4268 4721 1 1 1 1 1 1 1 1 1 1 1 1 640.4278 *640.4282* 640.4282@4.50303 1 1 1415 1607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 640.4282 *640.9301* 640.9301@4.6057897 1 1 7910 8162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 2153 1 1 1 1 4411 4404 1 1 1 1 1 1 1 1 1 1 1 1 3209 3049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5217 4355 3188 2965 1 1 1 1 2504 2122 1 1 1 1 1 1 1 1 1 1 1 1 640.9301 *641.41* 641.41@1.0957336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 641.41 *641.4746* 641.4746@1.2235098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 641.4746 *641.505* 641.505@1.1912268 1513 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 1694 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 1 1321 1 1 1 1024 1 1 641.505 *642.1509* 642.1509@1.203567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.1509 *642.1741* 642.1741@1.1983567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 642.1741 *642.4* C28 H54 N10 O5 S 2151 2094 36039 35678 7814 7951 5240 5694 4591 4604 7863 7475 8788 9515 2973 3066 3121 3935 5554 6161 4274 3413 2501 2607 20373 20118 4435 3392 3981 4447 20539 20140 1618 1798 2507 3291 9964 9837 4177 4158 4359 4471 11317 11186 22427 22986 7857 6856 4376 4244 2352 3193 7681 7437 4079 4583 5266 4989 4234 3952 5529 5021 5952 5830 6802 7278 1372 1581 25387 26173 17379 17177 2414 2818 2315 2975 13944 14956 6307 6515 3495 2736 3020 2379 4923 5080 3185 2687 2869 2382 642.4 *642.4755* 642.4755@1.2074915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 2276 1 1 1 1 1 1 2522 1 1 1 1 1 1 1 1 1 1 1 1 1613 3355 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1554 1472 1559 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1105 1264 1 1 642.4755 *642.4869* 642.4869@1.2037004 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1226 1383 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.4869 *642.494* 642.494@1.2057605 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.494 *642.9017* C24 H5 N O17 S2 1 1 19829 19731 4232 4375 2858 2889 2213 2541 3627 3908 4844 4591 1675 1465 1914 1611 2952 3134 2051 2135 1323 1427 11519 11944 1923 2378 1853 1869 11352 11224 1 1 1928 1771 4988 5290 2262 2372 2231 2464 6513 5736 12380 11954 3691 3977 2257 2007 1546 1547 3788 4220 2188 1858 2686 2658 1988 1798 2664 2297 3168 3103 4347 3872 1 1 14943 14539 9306 9796 1066 1219 1448 1458 7884 7977 2913 2829 1441 1099 1441 1 2377 2545 1561 1764 1233 1149 642.9017 *643.4158* 643.4158@6.2367177 1 1 1 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.4158 *643.486* 643.486@1.2354467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4960 4332 1 2846 2764 2379 1 1 1 1 643.486 *643.4873* 643.4873@1.3360866 1 1 1 1 1 1 1 1 1 1 6413 8958 1 1 3737 5041 1 1 1 1 1 1 5811 5308 1 1 6644 6987 5617 5895 1 1 1 1 4045 3058 1 1 1 1 1 1 8068 8298 1 1 1 1 1 1 1 1 1 1 4373 4485 1 1 3345 3517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2709 1 1 1 1 1 1 643.4873 *643.4876* 643.4876@1.4482533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1284 1 1 1 2342 1 1 1 5920 5230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 643.4876 *643.5573* 643.5573@0.9614656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 643.5573 *643.7488* 643.7488@6.236826 1 1 1278 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 643.7488 *644.4587* C30 H60 N8 O7 13212 15788 13375 3073 4128 14569 7245 3917 5244 2805 6733 5037 15847 14035 1776 2696 17164 15990 1582 1780 7905 12838 5058 4489 5054 2452 10758 12693 5955 6335 6016 3316 7458 4665 6686 6162 14408 5696 3764 2417 4864 3959 5443 15918 3428 2732 3749 20743 4127 19052 4292 8766 3498 18779 10337 18557 10394 3357 6539 7053 13064 3904 1309 12531 11931 4261 12638 6351 11944 4150 4535 10894 12261 5018 4709 3831 5459 5307 1847 11568 5773 6686 4278 8213 14234 2159 11725 5525 4225 3641 644.4587 *644.4594* 644.4594@4.5305614 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 2764 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2031 1 1 1 1 1 1 644.4594 *644.4597* C30 H60 N8 O7 + 4.5827484 1 1 1 12673 8580 1 9148 12998 9988 12409 9494 10703 1 1 6385 15206 1 1 13900 13861 9845 1 10710 11729 9842 8665 2346 1 9298 9639 9893 12734 8243 12579 7719 8388 1 9201 10615 12252 8976 13552 9474 1 15510 14718 14447 1 13344 1 15027 10608 16738 1 4184 5472 11516 20149 13006 11312 1 7775 9842 1 1 7096 1 7295 1 8692 9024 1 1 6749 7906 9374 7626 8072 11316 1 7919 6349 9020 3777 1 9392 1 8187 8502 8421 644.4597 *644.46* C31 H56 N12 O3 7741 7344 4903 5530 6963 6947 6316 6946 5839 5993 5979 6699 6623 6037 16788 7622 8418 6670 4238 7186 6482 7151 6398 6538 6366 6613 7048 6142 6435 6773 6675 6497 7770 5717 6739 6341 5236 6683 5554 6596 6814 5451 5478 8876 8685 7711 7776 8603 7476 5974 9069 6758 9485 8241 7522 1293 8750 9048 7540 7718 5657 6303 5306 5495 4052 6622 5817 6506 6602 5622 6508 6752 6792 5871 7101 5352 5688 6085 6715 6334 5282 6183 3930 6894 7081 4983 4823 6854 5923 5109 644.46 *644.465* 644.465@4.733386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.465 *644.4883* 644.4883@1.3074439 1 1 1 1 1 1 1 1 1 1 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.4883 *644.9602* C23 H7 N3 O20 + 4.596471 1 1 4331 7692 1 1 5317 1 6311 1 1 1 1 1 6690 9884 7171 1 1 8072 4898 5889 1 7921 6377 8125 1 2991 5119 1 5422 5586 5509 4147 1 8079 1 1 1 1 4000 4494 3437 4869 1 1 9563 1 1 1 8913 1 1 1 1 1 1 8742 8926 1 6012 4212 1 1 6442 6202 5349 1 1 5384 4273 1 1 1 1926 1 1 1 4315 1 5988 6301 5618 1 3714 1 1 4268 1 1 644.9602 *644.9608* C23 H7 N3 O20 + 4.6673903 4235 3958 3886 3955 5800 3856 5272 5500 4795 3704 4794 5600 5755 5979 5133 4992 4914 5288 5141 4128 5684 5106 4715 4771 4280 4958 4660 4523 8048 4139 8443 5735 7562 6457 3404 4093 4765 5791 4323 4714 7669 6671 7217 1101 6533 6363 4830 4365 7055 5019 5319 4662 4486 6865 5933 5222 5705 6149 4721 5655 3358 3551 2970 3850 3432 3724 3360 3463 3762 3517 3478 3626 3738 2675 3384 3547 3218 3048 3420 3696 3645 3757 3762 3563 3468 3044 3535 3153 3186 3111 644.9608 *644.961* C23 H7 N3 O20 9641 9007 4521 2108 9762 10485 4663 11095 4211 9899 9741 9859 11021 10577 4698 2451 3982 10786 10214 2740 4664 4582 10077 3051 3354 2194 11059 6818 2019 9901 2212 4345 2580 2173 9707 2307 10509 9852 9739 10336 2479 3998 2581 10445 11946 12165 2391 11537 12398 11264 3212 11376 11508 11477 12682 11073 13593 4964 2104 12634 1863 3282 7973 7897 1254 1194 2007 7423 7120 2128 3643 7414 7193 7611 3977 6980 7072 1 3277 7630 1398 1082 2229 1 3637 7329 7174 3001 8193 1 644.961 *644.9618* 644.9618@4.5079417 1 1 1 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 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 644.9618 *645.1751* 645.1751@2.0704436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2160 1 1 1 1 1 1 1 1 1 1 645.1751 *645.4458* 645.4458@1.2176872 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 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 645.4458 *645.4539* 645.4539@4.7452064 1440 1 2008 1 1 1 2318 1 3110 1777 4317 2180 1244 2786 1 2396 1 1 1 1 1 3107 1 1 1 3099 3469 1 2779 2666 1 2425 1 5733 1 2443 1 1 1 1 1 1502 1 4754 1 1 1601 1 1 1596 3223 1 1 1 1203 1 1021 1 1 1 1218 1 1 1 1 1 1 1 1 1 2358 1415 1907 1 1 1 1298 3142 1 1889 1 1 4250 1581 1521 1 1 1 1 1 645.4539 *645.4618* 645.4618@4.5572686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 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 1 645.4618 *645.9537* 645.9537@4.7618027 1 2024 1 1 2679 1 1606 1 2276 3424 2320 2833 1 1 2668 2740 3226 3851 1101 1 3758 3470 3861 1 1 1668 2468 1 1805 2642 1 1117 1 1 1 1 1 1 1 1 1 1705 3572 3688 1 2027 1 3636 1 1 2763 1 1 2198 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 1 645.9537 *646.4523* 646.4523@1.0316224 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 646.4523 *646.4538* C49 H58 13964 13799 1 2806 7584 7708 8544 8380 5676 5593 17971 18437 6808 5817 7197 7643 16191 14480 6925 7765 1 1 7620 7382 8173 8733 1 1 7898 8459 5691 6069 8422 9163 7980 8468 11434 11147 8047 8114 7491 7548 6616 6336 8797 8725 8482 7976 8219 8068 1 1 11993 12352 1 1 14735 15115 1 1 10147 9068 13016 11842 8540 8490 19175 18995 9400 10541 18476 18408 10778 11305 1 1 10404 10368 7855 8459 1 1 1 1 5526 5575 12176 11719 10038 10561 646.4538 *646.5499* 646.5499@1.5121347 1 1 1 1 1 1 2542 1 2107 1789 1 1 1 2146 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 2852 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 1 646.5499 *647.4236* 647.4236@4.7152967 1 1 3847 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 2028 1377 1 1 1 1 1 1 1 1 1 1 1 1 1677 1339 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2757 3230 1542 1628 1 1 1 1 1747 1854 1 1 1 1 1 1 1 1 1 1 1 1 647.4236 *647.4578* 647.4578@1.1364422 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647.4578 *647.4593* C39 H69 N S3 1898 1610 50654 51521 6855 6558 3345 3212 2631 2886 2436 2184 5127 5157 4291 3683 3552 3370 5846 5740 2664 2591 2464 2707 11734 11774 3141 2875 3808 4301 33905 35267 4059 4326 2036 2101 2023 2062 2982 3200 5887 6588 2422 2468 24715 26184 2837 3038 3680 3685 4228 4272 5428 5968 3571 3561 1 1 3016 2672 6567 6753 6329 7390 4453 5041 2369 2635 36217 35599 14944 15562 2061 1166 1097 1328 26346 24282 5004 4620 3390 4087 4802 4998 1 1 2371 2329 2839 2496 647.4593 *647.4603* 647.4603@1.7310311 1 1 11010 6386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6557 6649 1 1 1 1 1 1 1 1 1 1 1 1 3743 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6511 6832 1 1 1 1 1 1 3317 3190 1 1 1 1 1 1 1 1 1 1 1 1 647.4603 *647.4613* 647.4613@1.7004873 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647.4613 *647.8917* 647.8917@5.4890933 1 2765 3032 1 1 2569 2619 3019 1 1 1 1 2781 1 2774 1 1 1 1 1 1 1 2946 1 1 2463 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 647.8917 *647.8936* C23 H4 O21 S 3039 1 1 2766 2892 1 1 1 2661 3107 2856 2560 1 2944 1 2660 2603 2710 2656 2845 2475 3013 1 2829 2613 1 2581 2743 2483 2341 2887 2803 2938 2867 2822 1 2941 2525 2976 2879 2953 3111 2638 2873 3001 2935 2713 2569 2790 2514 4841 4866 3958 3777 3843 3339 3015 3079 2985 2881 4276 4506 3240 3177 3916 3981 4163 4090 2738 2900 5910 6179 3236 2835 3126 3268 5199 5454 4514 5165 5781 5211 5214 5250 5898 5846 4660 4701 3593 3669 647.8936 *648.0861* 648.0861@5.8999357 1 1 2890 1919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.0861 *648.0882* 648.0882@6.20021 1 1 60491 61064 1 3269 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 21755 22458 1 1 1 1 18335 18021 1 1 1 1 3873 1 1 1 1 1 1129 1 14903 15544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20139 20516 19322 18998 1 1 1 1 12186 12181 1 1 1 1 1 1 1 1 1 1 1 1 648.0882 *648.0898* 648.0898@6.169438 1 1 1374 1156 3419 1 1 1 1 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 3337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.0898 *648.4191* 648.4191@5.899934 1 1 2098 2333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.4191 *648.4222* 648.4222@6.200823 1 1 52164 51896 3077 2863 1 1 1 1 1 1 1276 1 1 1 1 1 1 1 1 1 1 1 19505 18618 1 1 1 1 16814 16026 1 1 1 1 3636 3309 1 1 1 1 1210 1045 13400 13246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1353 1 1 17869 18360 16015 15683 1 1 1 1 10344 10364 1 1 1 1 1 1 1 1 1 1 1 1 648.4222 *648.4236* 648.4236@6.1158733 1 1 1 1457 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.4236 *648.4261* 648.4261@4.7626796 1 1 7430 8395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2183 2427 1 1 1 1 3120 3610 1 1 1 1 1 1 1 1 1 1 1 1 3485 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3205 3205 3621 3511 1 1 1 1 2207 1808 1 1 1 1 1 1 1 1 1 1 1 1 648.4261 *648.7571* 648.7571@6.199077 1 1 30640 31724 1840 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11362 11861 1 1 1 1 9571 9232 1 1 1 1 1531 1983 1 1 1 1 1 1 7603 8017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11187 10298 9437 10243 1 1 1 1 5930 5141 1 1 1 1 1 1 1 1 1 1 1 1 648.7571 *648.9268* 648.9268@4.7657995 1 1 3763 3852 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 1616 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1945 1304 1399 1757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 648.9268 *650.3159* 650.3159@1.0222328 1 1 1 1 1 1 1 1 1 1 1 1 1 1894 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 2203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.3159 *650.4059* 650.4059@6.2018595 1 1 1267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 650.4059 *651.3871* 651.3871@4.40259 1 1 5080 5181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.3871 *651.4076* C23 H53 N15 O5 S 8199 6881 18695 67675 32690 30292 23197 22047 22326 22533 23295 21946 34299 35761 6541 6325 28664 28226 21148 21439 8930 11125 8477 8514 38326 39001 22615 21705 1496 16471 2278 53831 5849 3752 12388 11153 25538 26861 19134 18305 17081 17497 35615 35102 53287 53832 23833 25140 15878 16254 4562 4943 23590 22760 8164 8429 12441 14483 15495 17143 3187 28448 19757 19606 28110 27734 3967 3632 58307 59481 44923 46931 10403 10471 8557 8835 40870 41751 46201 48714 9897 9292 7180 6804 14937 15072 9369 9638 5762 5270 651.4076 *651.4084* 651.4084@4.968048 1 1 47306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16394 1 53848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.4084 *651.5007* 651.5007@1.2083541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1 1 651.5007 *651.886* 651.886@4.4015903 1 1 2476 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.886 *652.2846* 652.2846@1.0037954 1 1 3947 5088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4490 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 1 1 1 1 1 1 1 652.2846 *652.2924* 652.2924@1.0513939 1 1 1742 1810 1 1 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 2246 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 2524 1 1 1480 1 1 1 1 3668 3780 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1 1 1 652.2924 *652.2995* 652.2995@1.043815 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 1 1 1 1 1 1 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 1888 1 6303 6810 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.2995 *652.3614* 652.3614@3.1391325 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.3614 *652.3615* 652.3615@3.054049 1 1 1320 1 1 1 1 1 1 1 1 1 1557 1 1 1 1 1 1 2060 1 1 1 1 4508 4080 1 1 1 1 8741 9213 1 1 1 1 1 1 1 1630 1 1 2022 2142 4575 4499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5284 5890 1 1 1 1 1 1 13734 12231 2811 4277 1 1 1 1 2361 2260 1 1 1 1 1 1 1 1 1 1 1 1 652.3615 *652.3624* 652.3624@3.200281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3893 4703 1 1 1 1 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 2919 1 1 1 1 1 1 5323 5581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.3624 *652.437* 652.437@1.0009762 1 4340 1 1 1 6943 1 1 1 1 1 1 1 1 5911 1 1 1 1 1 5981 5892 1 1 6252 1 1 1 1 1 11193 1 8255 1 1 1 1 1 1 1 8309 1 1 1 1 1 6737 1 7492 7307 1 10106 1 8729 1 1 1 1 6823 1 1 8994 1 1 1 7125 1 1 1 1 4623 1 1 1 1 1 1 4602 1 1 1 1 1 1 1 1 1 1 1 1 652.437 *652.4809* GPEtn(13:0/15:0)[U] 1 1 1 1 2315 1766 1 1 1220 1655 1 1186 2532 2818 2016 2652 1 1907 1613 1431 1285 1513 1133 1 1495 1254 1236 1 2089 2801 3738 3968 1972 2459 1 1 1 1 1796 1 2104 3051 1 1 1 1 1 1 1352 1 1742 2760 2722 2940 1182 1344 1 1 1035 1 2019 2056 1994 1855 2879 2552 1 1 2091 2260 1102 1371 1 1 1 1 1239 1 1055 1 1272 1366 1 1999 1 1 1167 1 1 1 652.4809 *652.7601* 652.7601@6.173027 1 1 3903 4290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 652.7601 *653.0932* 653.0932@6.167 1 1 2579 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.0932 *653.3253* 653.3253@1.109576 2517 1 1 1 1 1 22012 1 1 81257 1 1 276041 1 1 2841 1 1 1 4131 1 114823 1 1 1 1 1 1 1 1 1751 1814 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 1433 1559 1 194541 1 105388 1 1 2491 2459 64814 632819 1 1 1 1 1 1 1 1 1 135559 1 1 1 1 1 62456 1 1 653.3253 *653.3284* 653.3284@1.0234811 1 1 1 1 1 1 1 1 1 1 1 1 552958 1 1 99784 1 1 1 234769 257624 1 1 1 1 1 1 1 1 1 1 15947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.3284 *653.4253* 653.4253@6.1710105 1 1 2318 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.4253 *653.6277* C37 H79 N7 O2 1 1 4705 3633 1 3693 1 5229 5236 5249 1 4134 7294 6063 2191 1 1 4862 1 4941 7732 1 5149 1 4211 4610 4116 4655 4347 3967 5428 7770 1 4056 1 2992 1 5394 1 1 3937 5764 1 2827 4285 3529 4993 4316 1 1 6362 1 7239 1 1374 1 1 3909 1 4280 1 1 3507 3992 1 4430 4007 1 1 2566 1 3977 1 1 1 4051 1 1 3403 4084 2829 1 1 3917 3672 1684 5176 5244 1 5577 653.6277 *653.6391* 653.6391@1.0136819 4856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6017 4433 1 1 1 1 1 3376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.6391 *653.703* 653.703@1.0236661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3644 653.703 *653.724* 653.724@1.0178862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.724 *653.729* 653.729@1.0239373 1 1 1 1 1 1 3394 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 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 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 1987 1 1 1 1472 1 1 1 1 1 1 1 1 1 1 1 653.729 *653.7596* 653.7596@1.0176675 1 1 1 1 1 1 1 1 1 1 4311 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 1517 1 1 1208 1 1 1 4176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2765 1 1034 1 1 1 1 1 1 1 2061 1 3009 1 1 1 1 1 1 1 2084 1 1 1 1 1 1 1 1 1 1510 653.7596 *653.7827* 653.7827@1.0141895 1 1 1 1 2699 1 1 1 1 1 1 1 1 1229 1 1 1 1 1 1 1950 1 1 2122 1924 1 2581 1 1 1 1 2813 1 1879 1 1 1 1784 1 1 1 1 1 1 1 1 1 1 3080 1 1 4631 1 1 2054 1 1 1 1 1 1 1 1 1 1 1 1375 1 1 1 2336 1 1 1 1 1829 1 1 1 1 2264 1 1 1 1 1 1 1 1 1 653.7827 *653.7894* 653.7894@1.0251515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.7894 *653.7982* 653.7982@1.0146021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3870 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1099 1 1 1 4304 3590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1406 1 1 1 2741 1 2576 1 1 2709 3290 1 653.7982 *653.8269* 653.8269@1.0143725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.8269 *653.838* 653.838@1.015151 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 2799 1 1944 1 1 1 1 1 1 1 1 1 1 1 1 1 3704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.838 *653.8467* 653.8467@1.0106187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.8467 *653.861* 653.861@1.0151693 1 1 1 1686 2098 1 1 1 3392 1 1 1 2421 1 1745 1 1 3093 1 3529 4559 1 3728 1 1 1 1 1765 2308 1 1 1 2831 1 1 1 1 1 1 1 1 1 3291 1230 1 1 1 1 1 1 2517 1 1 2262 1 1 1 1 1 1 1 1 1 1 1 1 1 1479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2034 1 1 1 653.861 *653.8747* 653.8747@1.0149755 1 1 1206 1 1 1 1 1 1 4015 1910 1 1 1 1 1 4815 1 1 1 1 2569 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 1541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 653.8747 *653.882* 653.882@1.0178013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1102 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 1 653.882 *653.9026* 653.9026@1.0222509 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.9026 *653.9163* 653.9163@1.0170256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1216 1 2815 1 1670 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 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 1 653.9163 *653.9232* 653.9232@1.0146031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.9232 *653.9321* 653.9321@1.0181158 2692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2117 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1876 1 1 1 1 1 2432 1 1 1 1 1 1 1495 1 1 653.9321 *653.9453* 653.9453@1.0178548 1 1 1 1 1 1 1 1 1 1 1 1 1 4233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1 1 1 1 1 1 1606 1 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 1 1 1 1 1 1 2255 2712 1 1 1094 1 1 1 1 2811 1 1 1 653.9453 *653.9591* 653.9591@1.0170798 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 1 1092 1 1 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 1 653.9591 *653.9618* 653.9618@1.0151631 1 1 1 1 1 1387 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 1862 1 1 2586 1 1 1 1 1 1 1 1 1 1 1 1913 1 1 1510 1 2306 1 1 1 1 1 1065 1 1 1 1 1512 1 1157 1 1 1110 2303 1 1 1 1349 1 1 1 1 1 1 1553 1 1 1 1 1 1205 1 1 1 1 653.9618 *653.9842* 653.9842@1.0179418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3550 1 1381 1 1 1 1 1 1 1 1 1081 1 1 2643 1 1 1 1 1 1 1 1 1186 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 1 1 1 1 1 1 1 1 1 1709 1 1 1 1 1 1 1 653.9842 *653.9999* 653.9999@1.013281 1 1416 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 653.9999 *654.0258* 654.0258@1.016167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1576 1 2482 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 1518 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 2755 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.0258 *654.0323* 654.0323@1.0148897 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.0323 *654.0412* 654.0412@1.018213 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 1 1 1 1 1 1853 1 1 1 1 1359 1 1 1 1 1 1 1 654.0412 *654.0536* 654.0536@1.0109448 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 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.0536 *654.0647* 654.0647@1.0117697 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 2320 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.0647 *654.0766* 654.0766@8.257934 1 1 1 1550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.0766 *654.0825* 654.0825@1.0121074 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 1223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.0825 *654.0984* 654.0984@1.0156194 1 1 1 2002 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 1 1 1 1 1 1 1 1907 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1524 1 1 1 1940 1 1 1 1 1 1 1 1 1 1 1 1 1227 1 1 1 1 1 1 1 1 654.0984 *654.1068* 654.1068@1.0138854 2449 1 1 1 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2165 1914 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3257 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.1068 *654.1471* 654.1471@1.0249045 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.1471 *654.3105* C30 H54 O11 S2 2111 2225 2371 2211 3473 4078 4315 4031 2963 2811 3582 3001 3592 3579 3966 4080 7931 7773 2846 2886 4686 4644 5189 5349 1 1 3357 2934 6223 6361 1 1 3763 3477 3094 2513 2887 3174 3670 3474 10454 10382 3207 3503 4728 5076 4376 3393 3219 3073 8892 9328 9059 8028 7140 6917 1090 1881 4046 3643 24266 22730 9617 9838 11392 11290 5433 5880 4687 3980 5739 5505 3314 3165 3266 3273 4947 5137 4855 5043 5018 5658 8433 9050 1369 1 6838 6663 5099 5698 654.3105 *654.3109* 654.3109@2.8641553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1 1 1 1 1 1 1 1 1347 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 1 1 1 654.3109 *654.3283* 654.3283@1.081181 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23381 1 19702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.3283 *654.4083* 654.4083@8.251364 1 1 1186 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 1 1 1 1 1 1 1 654.4083 *654.4286* 654.4286@4.7909865 1 1 1446 1570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.4286 *654.5366* 654.5366@1.042219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.5366 *654.5462* 654.5462@1.0171936 1 1 1 1 3780 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.5462 *654.6225* 654.6225@1.0096258 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.6225 *654.6333* 654.6333@1.017832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.6333 *654.6512* 654.6512@1.0184379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1185 1 1 1 2906 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 1 654.6512 *654.6613* 654.6613@1.0225124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1825 1 1 1 1 1 1 1 1 1 1 1 1 654.6613 *654.6752* 654.6752@1.0140414 1 2340 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 654.6752 *654.6825* 654.6825@1.0093864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.6825 *654.6971* 654.6971@1.0154116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1767 2044 1 1 1 1 1 1 1 1 1330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.6971 *654.7075* 654.7075@1.011984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2654 1 1 1 1 1 1 1 1890 1 1 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.7075 *654.7196* 654.7196@1.0140479 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 2140 1 1 1 1 1 1 1 1 1 1 1 1 1 2355 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 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 1 1 1 654.7196 *654.7438* 654.7438@1.0135937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.7438 *654.7704* 654.7704@1.015396 1 1 1 1 1 1764 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 1901 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 1190 1 1 1 2067 1 1 1 1 1213 1 1 1 1 1 1 1 1 654.7704 *654.7794* 654.7794@1.0096099 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2137 1 2876 1 1 1 1 1 1 1 1 1 1 1 1 2110 1 1 1 2399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.7794 *654.7919* 654.7919@1.018128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.7919 *654.8074* 654.8074@1.0167354 1 1 1 1 1 1 1571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1243 1 1 1 1 1 1 1 1 1661 1 1 1 1 1 1 1943 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1065 1 1 1 1 1 1 1 654.8074 *654.8119* 654.8119@1.0248324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.8119 *654.8232* 654.8232@1.0145774 1 1 1 1491 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 1 1 1 1 1 1 1 1 1 1 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 1669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.8232 *654.8483* 654.8483@1.0129149 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 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 654.8483 *654.8616* 654.8616@1.0126835 1 1 1 1 1 1 1 1 1 1 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2081 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 2239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.8616 *654.8746* 654.8746@1.0168798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.8746 *654.8851* 654.8851@1.0124539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1 1 2136 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 1 1 1 1 1 1 1 1 654.8851 *654.9007* 654.9007@1.0157975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.9007 *654.9094* 654.9094@1.0103254 1 1 1 1 1 1 1 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 1753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.9094 *654.9227* 654.9227@1.0147518 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 2493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.9227 *654.9347* 654.9347@1.0126902 1 1 1 1 1 1 1 1 1 1 1386 1 1 1 1 1 1 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 1619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.9347 *654.9434* 654.9434@1.0104017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.9434 *654.954* 654.954@1.0167108 1 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1202 1 1 1 1096 1 1 1414 1 1 1 1 1 1 1619 1 1 1203 1 1 1 1 1 1 1 1 1 1066 1 1 1753 1 654.954 *654.9648* 654.9648@1.01321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 654.9648 *654.9816* 654.9816@1.0126303 1 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 1 1 1 1 1 1 1 2211 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 1 654.9816 *654.9869* 654.9869@1.0105577 1 1 1 1 1 1 1 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 1903 1 1 1 1 1 1 1 1 1 1 1 1 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 654.9869 *655.0072* 655.0072@1.0160224 1458 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.0072 *655.0189* 655.0189@1.0136721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1818 1420 1943 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 1 655.0189 *655.0315* 655.0315@1.0130494 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1 1 1 1 1560 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 1 655.0315 *655.0486* 655.0486@1.0144888 1 1 1 1 1 1231 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.0486 *655.0572* 655.0572@1.0147762 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1664 1 1 1 1 1 1 1 1 1 1650 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 1 655.0572 *655.0596* 655.0596@1.0076287 1 1 1 1 1 1 1 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 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 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 1 655.0596 *655.0818* 655.0818@1.0108589 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 1220 1 1 1 1 1 1 1 1 1084 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 1 1 1 1 655.0818 *655.0929* 655.0929@1.0199053 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.0929 *655.1096* 655.1096@1.014275 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 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 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.1096 *655.1139* 655.1139@1.0121474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.1139 *655.1265* 655.1265@1.0149984 1 1 1 1 1 1 1 1037 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 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 1291 1 655.1265 *655.1444* 655.1444@1.0110136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.1444 *655.1616* 655.1616@1.0107799 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.1616 *655.4342* C41 H57 N3 O4 1 1 291514 294098 20680 20298 7212 6008 3142 3232 1 1 23529 23565 1 2057 6528 6580 11536 4089 1 1 1 1 99303 101537 1668 1 1 1 131632 131139 1 1 2532 3083 7929 8407 3894 2814 6638 7122 10962 10287 7475 107119 8534 9577 3151 3854 2053 2044 14139 15133 1575 1 1787 1 2033 1 8051 7457 12226 12550 15280 15267 1 1 151785 154484 118685 9961 1 1 2027 1600 82663 82041 6042 6160 1 1 1 1289 1427 1750 1 1 1 1 655.4342 *655.4343* 655.4343@4.651901 1 1 29036 28098 1 1 1 1 1 1 1 1 1702 2035 1 1 1 1 1 7792 1 1 1 1 8216 8228 1 1 1 1 10899 9913 1 1 1 1 1910 2003 1 1 1 1 1 1 109355 7397 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13018 13485 9990 119009 1 1 1 1 5094 4862 1 1 1 1 1 1 1 1 1 1 1 1 655.4343 *655.5213* C39 H77 N S3 3796 1451 1536 1344 1424 1119 1248 1677 1558 1877 1426 1098 1070 1365 1250 1230 1553 1642 2384 2717 1244 1182 1284 1257 1 1203 1466 2110 2145 2110 1837 1808 1867 1212 1225 1331 1701 1511 1618 1147 1522 1440 1487 1832 2263 2018 2027 1539 1902 1835 1595 2268 2271 1978 2104 2045 2359 2518 2274 2148 1615 1 1 1024 1132 1026 2006 1614 1074 1059 1 1231 1011 1 1379 1005 1 1505 1006 1411 1071 1 1348 1919 1 1 1240 1128 1 1458 655.5213 *655.5256* 655.5256@1.0171957 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.5256 *655.5337* 655.5337@1.0136327 1 1 1 1 1 1 1 1 1 1 1 1 1 1659 1 1 1282 1 1 1 1 1 1904 1330 1 1 1 1 1 1 1 1 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 1890 1 1 1 1 1 1 1 1 1 1 1 1730 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.5337 *655.5411* 655.5411@1.0151762 1 1 1 1 1 1 1 1 1681 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 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1702 1 1 1 1344 1507 1 1 1 1 1 1 1 1 1 1597 1 1 1 1432 1 1 1378 655.5411 *655.5698* 655.5698@1.0172026 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1711 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.5698 *655.6532* 655.6532@1.015906 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.6532 *655.684* 655.684@1.0130817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.684 *655.7021* 655.7021@1.009146 1 1 1 1 1 1 1 1 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.7021 *655.783* 655.783@1.0082383 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.783 *655.8093* 655.8093@1.0105342 1 1 1105 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.8093 *655.8114* 655.8114@1.0034502 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.8114 *655.8226* 655.8226@1.0110549 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.8226 *655.912* 655.912@3.6006484 1 1 1 1 1 1 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 2013 1 1 1 1 1 1 1 1 1 1 1 1 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 3293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.912 *655.9122* 655.9122@3.7228935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 655.9122 *655.9348* 655.9348@4.63652 1 1 16760 17705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4990 5082 1 1 1 1 6512 5609 1 1 1 1 1 1335 1 1 1 1 1 1 4754 3980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7460 71281 1 1 1 1 1 2510 1 1 1 1 1 1 1 1 1 1 1 1 1 655.9348 *655.9355* C21 H8 N2 O21 S 1 1 180828 179391 12334 12229 3672 3430 1 1 1 1 14386 14410 1 1 3011 3126 5819 5615 1 1 1 1 60216 61007 1 1 1 1 80602 80941 1 1 1 2077 4225 4556 1383 1772 3622 3505 6689 5934 66537 64980 4680 4389 2374 1864 1 1 9248 8618 1 1 1 1 1 1 4262 5001 7185 7509 9935 9910 1 1 94506 96148 6033 74367 1 1 1 1 52365 50869 3241 3620 1 1 1 1 1 1 1 1 1 1 655.9355 *656.3642* 656.3642@4.9712915 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 1670 1 1 1 1 1 1 1 1 1 1 1 1 1285 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1703 1625 1256 1125 1 1 1 1 1 1 1213 1274 1 1 1 1 1 1 1 1 1 1 656.3642 *656.4136* 656.4136@3.6095436 1 1 1 1 1 1 1 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 1 1 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 2187 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.4136 *656.4375* 656.4375@4.793952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 656.4375 *657.5011* 657.5011@1.3905694 1 1 1 1 1 1 1 1 1 1 5160 5316 1 1 2623 3407 1 1 1 1 1 1 3547 1 1 1 7695 9263 6108 6134 1 1 1 1 3735 2274 1 1 1 1 1 1 4075 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 1559 2489 1 1 1 1 1 1 657.5011 *657.5014* 657.5014@1.3125105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3425 1720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3206 1 1 2130 1 1 1 1 1 1 657.5014 *657.9174* 657.9174@4.7363896 1 1 7782 6377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1903 1 1 1 1 2712 3206 1 1 1 1 1 1 1 1 1 1 1 1 2211 2145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3493 4491 2421 2180 1 1 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 657.9174 *658.2804* 658.2804@1.0011666 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 658.2804 *658.2859* 658.2859@1.022917 1 1 1 1 1 4807 1 5248 1 4782 1 1 1 1 1 1 2649 5026 1 1 1 1 1 4331 3611 1 1 1 1 1 4006 4049 1 1 3473 3517 1 1 3302 3949 1 1 1 1 1 1 3910 1 1 1 1 4486 3588 1 1 1 1 1 1 1 1 4617 2798 1 3591 1 1 1 1 1 1 1 3621 1 3912 1 3723 1 1 1 1 1 3459 1 3143 1 1 1 1 3534 658.2859 *658.4226* 658.4226@4.748516 1 1 3091 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1861 2029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.4226 *658.4436* 658.4436@4.729763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 658.4436 *658.474* C32 H58 N12 O3 + 4.4897265 1 1 1 14107 8942 1 10205 1 6417 21056 1 8048 1 1 1 1 1 1 1 1 10667 1 1 7841 1 1 1 9694 8970 1 23980 14402 7374 1 12709 1 1 1 1 10830 8878 1 1 7756 26070 1 11521 1 1 9388 11237 1 9067 1 1 1 15519 1 14860 12077 7252 11216 1 8099 1 1 1 7355 1 10362 1 1 1 1 1 1 1 1 12968 4609 8064 1 1 9860 1 1 7868 1 1 1 658.474 *658.4749* C32 H58 N12 O3 + 4.631175 11781 10665 9792 9744 11444 10867 10067 10665 11291 11483 10987 9799 10483 11770 10004 11762 11713 12024 9663 10290 11530 10921 11511 11572 10453 9160 7090 11268 12538 9718 1 1 11701 12257 10323 12322 11123 10765 11802 10853 9576 11051 10538 11583 11385 11131 12590 13260 14896 14461 2174 13840 13585 12517 12728 12857 14786 14263 11624 2017 7776 7353 7440 7890 6760 7617 7165 7521 7938 7320 6717 7417 7846 7216 7469 6816 7121 7732 7631 6484 9120 7953 9259 7763 7264 9084 7906 8295 6922 7510 658.4749 *658.4751* C32 H58 N12 O3 + 4.5341005 18022 13571 18067 1 14437 23500 16616 24292 12768 1 19654 16372 21536 15724 24766 12665 20667 20750 15596 18919 14412 19254 17602 18068 17930 12451 23232 9797 9908 16938 10047 9831 18443 16290 10931 20134 12801 16267 17093 14825 15560 20213 10802 17791 1 25929 11423 30870 26569 22556 26179 27586 16812 20875 18795 23186 19326 25570 16239 21053 11150 1 17478 9844 13999 15727 14143 10901 14093 1 12494 17310 14160 15765 14216 16284 14607 13831 1 5853 10313 16847 13431 8062 18262 13838 10492 14812 17651 16928 658.4751 *658.4755* C32 H58 N12 O3 8683 8632 3321 7704 1 2496 1 1861 5550 4525 6521 1 3645 2647 3366 8083 4611 1 8828 3614 1 6408 8387 1 7484 5962 1 1 6373 6010 1 11719 1 8733 1 1 9535 8299 5384 1 1 4916 7883 1 2435 3553 1 1 1 1 6093 2896 1 2030 11084 4765 1 8389 1 8731 1 6501 1 1 1 2623 1445 1 4205 1 4083 1 2430 2348 3782 1923 1 3959 1776 3721 1 1 5461 1 1 4540 1 3119 2305 2431 658.4755 *658.9426* 658.9426@4.7443786 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.9426 *658.976* 658.976@4.4819107 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4223 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 1647 1 1 1 1 658.976 *658.9761* C24 H9 N3 O20 + 4.614059 5777 6634 6286 4992 6739 5968 6695 6540 6307 5809 8481 11541 6444 6104 6964 5782 4738 6430 5492 6144 6346 6785 6178 5011 5612 6499 5612 6519 9508 6141 6545 8890 7955 6328 10834 5571 5718 5987 3991 5731 6563 4952 11460 7411 6880 7364 11428 7487 9077 7185 7131 15174 7968 6769 8989 6186 9430 7663 5969 13991 3934 4422 3250 3399 4749 3829 5497 4729 3692 3705 3359 4208 4223 4557 5312 4762 3682 4295 4940 5363 6312 5416 5371 5619 4601 4593 4579 8267 3746 5324 658.9761 *658.9769* C24 H9 N3 O20 14352 7500 2286 3115 8832 3267 15335 8080 7709 8001 6966 3131 4191 8059 15887 7139 14774 2618 6196 6194 4165 2631 14636 2106 7870 3474 15993 1623 4229 13735 14445 7103 6536 1697 3815 3156 8550 4919 5817 7652 2802 15004 2956 15897 16429 4835 6835 7702 18504 9838 7006 3173 5791 9817 16731 18387 7514 2028 7848 4908 3659 4888 10281 10173 4136 1 1 4453 9875 10036 4956 4942 1 10690 1208 10633 10243 9345 3526 11059 4893 10581 3861 11186 6282 6743 11412 2554 10686 11419 658.9769 *658.9775* C24 H9 N3 O20 + 4.551326 1 8465 13416 12094 5276 11871 1 4873 7542 7909 5156 5779 9476 7129 1 8920 1 13397 8833 8150 10805 11607 1 13226 3053 10182 1 14048 6501 1 1 6362 5803 9451 5798 11661 6133 9982 9125 6439 10581 1 5305 1 1 13781 8111 11587 1 8958 11106 7381 12336 7504 1 1 13019 18140 8652 7938 6077 5837 1 1 6579 1 1 6569 1 1 4563 5458 1 1 10786 1 1 1 7587 1 4684 1 7055 1 3902 2379 1 4783 1 1 658.9775 *659.1943* 659.1943@1.200494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.1943 *659.203* 659.203@1.198399 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 1363 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1019 1 1 1 1 1721 1276 1286 1180 1 1 1 1670 3447 3925 1 1 1556 1406 1 1 1 1 1583 1 1 1056 1 1 1 1 1 1 1 1 1090 1118 1 1 1 1843 1 1 659.203 *659.4767* 659.4767@4.493365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2940 1 1 1 1 1 1 1 1 3304 1 1 1 1 1 1 1 1 3201 1222 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 2205 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 659.4767 *659.4784* 659.4784@4.4866996 1 1850 2659 1303 1 1 1 1859 1 1 1 1 1 6425 1 7891 1 3694 1 2879 1 1 1 1 1 1 2787 6613 1 3290 1 1 1 1 1 3562 1452 1 3071 1 1 1 1 1 1 1 7900 1 1975 1 1 1 4179 7937 1 2190 1 1 1 1 1 1 1 1 2102 1 1596 1 1 1 1 1 1 1 1 1 4632 1 1647 4489 1 1 1 1 1 1 1 1 1 1 659.4784 *659.981* 659.981@4.5379953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 659.981 *661.3332* 661.3332@0.9988821 1 1 1069 1 1806 1891 1 1029 1215 1 1 1 1754 1512 1202 1022 1781 1547 1515 1190 1592 1619 1 1 1 1 1 1 1200 1551 1554 1559 1148 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 1 1 1 1 1 1 1 661.3332 *661.4567* 661.4567@1.2048098 1 1 9402 11422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7504 8721 1 1 1 1 1 1 1 1 1 1 1 1 7148 6591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7743 6106 1 1 1 1 1 1 4305 5122 1 1 1 1 1 1 1 1 1 1 1 1 661.4567 *661.4717* 661.4717@1.2166926 1 1 1 1 1 1 1 1 1 1 1 1 5651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 661.4717 *661.4813* 661.4813@1.2063291 1 1 1 1 1332 1336 1 1 1 1 1 1 1 1161 1 1 1 1 1 1 1 1 1 1 4894 4904 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1511 1 1728 1010 1 1 1 1 1 1 1 1235 1 1450 1 1 1 1 1 1 1 1 1 1 1387 1 1 1 1 1 3400 4137 1 1 1 1 1 1 1233 1 1 1 1 1223 1 1 1 1 1 1 661.4813 *661.4871* C46 H63 N O2 1039 1 1 1 1 1 1 1116 1 1122 1 1 1 1 1 1 1 1 1 1087 1 1 1121 1086 1 1 1 1245 1014 1202 1 1 1 1 1 1 1 1 1 1 1 1243 1 1 1 1 1032 1143 1364 2388 1370 1 1183 1 1 1 1 1195 1613 1073 1231 1765 1273 1989 1 1256 1209 1276 1 1 1 1 1461 1030 1266 1568 1 1 1 1 1050 1 1 1 1004 1277 1305 1113 1638 1 661.4871 *661.823* 661.823@1.2054542 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 1 1 1 1 1 1 1 1 1 1 1 1 1180 1782 1 1 1 1 1 1 1 1028 1 1025 1 1081 1 1 1 1 1 1 1 1 1 1 1 1085 1 1 661.823 *662.4411* 662.4411@4.6578846 1 1 2642 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7296 6942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.4411 *662.4425* 662.4425@4.718429 1 1 20164 19188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6506 5552 1 1 1 1 9126 8554 1 1 1 1 1 1 1 1 1 1 1 1 7745 8300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10485 10745 1082 1599 1 1 1 1 5445 4705 1 1 1 1 1 1 1 1 1 1 1 1 662.4425 *662.4449* 662.4449@1.1345841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2417 1 1 1 1 1 1 1 662.4449 *662.4458* 662.4458@2.064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 662.4458 *662.4458* 662.4458@1.0468673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326648 1 1 1 1 1 2516 1 1 1 1 1 1 1 1 1 1 1 35557 1 1 1 1 13995 1 1 1 1 26116 1 1 1 16875 1 1 1 1 1 816063 1 1 1 1 1 55123 95363 1 1 1 33166 1207 1 1 662.4458 *662.4502* C38 H58 N6 O4 344384 337530 396217 407691 226530 220612 234934 236607 242598 246947 471043 450779 190589 188384 225421 225939 394200 405421 260559 268551 490027 504441 259005 262431 260188 264074 640197 652641 330475 337690 282169 287478 379789 355241 339465 344757 398729 88285 324278 333768 316432 323416 371397 377684 366681 365726 398232 405433 427388 430410 1050443 1069084 493136 492542 1638113 1618285 592339 602502 1241756 1269799 392694 404609 589905 586309 548868 534997 660227 671505 440836 425952 964097 939414 552634 546020 910884 107426 908782 907348 1109520 1109674 1887926 1855599 1522933 1631035 1178276 1197409 724068 766509 462792 467420 662.4502 *662.4571* 662.4571@1.192913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 662.4571 *662.4711* 662.4711@1.2025667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 662.4711 *662.7565* 662.7565@0.99393415 1567 1145 1 2880 1 1 1 1214 1 1 2003 1 1 1 1 1 3190 1 1 1050 2733 1 1074 1140 1 1 1 4733 1536 1 1157 1 2508 1 1 1 1814 1 1471 1 1 1 1 1 1595 1 1 2781 1474 1685 1 1 1 1 1 1 2248 5279 1 1 1805 1 2422 1 2321 4518 3712 3053 1 1 1 1 1 4651 1 10707 1 6329 1 1 1 1 1 1 1 1 1 1 2416 1 662.7565 *662.7621* 662.7621@5.9694242 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.7621 *662.7629* 662.7629@6.283517 1 1 44006 44352 1956 1985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16300 16342 1 1 1 1 13443 13966 1 1 1 1 2571 2349 1 1 1 1 1119 1 11372 10338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16106 15569 12290 13929 1 1 1 1 8591 9006 1 1 1 1 1 1 1 1 1 1 1 1 662.7629 *662.7647* 662.7647@0.9942059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5317 1 1 1 1 3154 1 1 1 1 1 1 1 1 1364 1 3793 1 1 1 1195 1 1 1 2613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1486 1 2804 1 1 1 1 1796 1 1 1 2441 1 1 1 1 1 1 1 1 1 1 1 9954 1 1 6321 1 1 662.7647 *662.8262* 662.8262@0.99585944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 662.8262 *662.8454* 662.8454@0.9962379 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3534 1535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.8454 *662.861* 662.861@0.99358255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1137 1 1 1 1 1 1 1 1 1351 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.861 *662.8722* 662.8722@0.99894476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.8722 *662.8895* 662.8895@0.99143595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.8895 *662.9003* 662.9003@0.9979844 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1 3118 1 1 1 1 1 1 1 3152 1 1 1 662.9003 *662.9197* 662.9197@1.000074 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1411 1 1 1 1 1 1 1 1 1 1 1 1171 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.9197 *662.9291* 662.9291@0.9967528 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3082 662.9291 *662.9432* 662.9432@4.710015 1 1 10443 11189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2943 2423 1 1 1 1 5020 4845 1 1 1 1 1 1 1 1 1 1 1 1 3747 3736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6296 6010 3421 3707 1 1 1 1 2690 3235 1 1 1 1 1 1 1 1 1 1 1 1 662.9432 *662.9582* 662.9582@0.9953542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1029 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 1 1 1 1 1 1 1 1 662.9582 *662.9806* 662.9806@0.99379325 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2819 1 1 1 1850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.9806 *662.9956* 662.9956@0.99766004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 1 1 3870 4621 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 662.9956 *663.0117* 663.0117@0.9990501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1484 1 1 1 1 1 1 1 1 1 1 1 1295 1 1 2302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.0117 *663.0238* 663.0238@0.9918513 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.0238 *663.0361* 663.0361@0.99508077 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 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 1 1 1 1 1 1966 1 1 1 663.0361 *663.0625* 663.0625@1.0096364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.0625 *663.0718* 663.0718@0.9951746 1 1 1 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 1110 1 1 1 1 1 1 1 1 1 1 1 1 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 1 663.0718 *663.0816* 663.0816@0.99137986 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 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 1 1 1 1 1 1 1 1 1 1 663.0816 *663.0922* 663.0922@0.9934935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.0922 *663.0965* 663.0965@5.966178 1 1 1562 1546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.0965 *663.0976* 663.0976@6.283008 1 1 40384 40645 2133 2223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13948 13947 1 1 1 1 11741 11764 1 1 1 1 2166 2394 1 1 1 1 1 1 9778 9535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13491 13865 12610 12142 1 1 1 1 7107 7132 1 1 1 1 1 1 1 1 1 1 1 1 663.0976 *663.0996* 663.0996@0.9963822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 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 1773 1 1 1 1 1 1 1 1 1 3492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.0996 *663.1126* 663.1126@0.99523693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.1126 *663.1273* 663.1273@0.99680346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 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 2965 1 1 1 1 1 1 1 1 1 1 663.1273 *663.1453* 663.1453@0.9943157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 3932 1 1 1 1 1 1 1 663.1453 *663.1624* 663.1624@0.99569845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1167 1 6888 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1536 1 1 1 1 1 1 2833 1 1 1 1 1 1 1 1 1 1 1 663.1624 *663.1815* 663.1815@0.995487 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 1 1 1 1 1 1 1 1 2435 1 1 1 1 1 1 1 1 1 1 1 1 1 5311 1 1 1 1 1 1 2133 1 1 1 1 1 1 1 1 1 1 1 1 663.1815 *663.191* 663.191@5.643825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1016 1593 1601 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1169 1111 1 1 1614 1630 1 1 663.191 *663.1927* 663.1927@0.99991596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.1927 *663.2226* 663.2226@1.0003549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7591 1 1 1139 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 1 663.2226 *663.4324* 663.4324@6.2825613 1 1 23621 25155 1608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9127 9579 1 1 1 1 7366 7296 1 1 1 1 1833 1621 1 1 1 1 1 1 6607 6345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9085 8372 7347 7899 1 1 1 1 4753 4558 1 1 1 1 1 1 1 1 1 1 1 1 663.4324 *663.4385* 663.4385@4.816412 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 1 1 1 1 1 1 1 1 1 663.4385 *663.4527* 663.4527@1.3101496 1 1 1 1 1 1 1 1 3199 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 1886 1 1 1 1 1 1 1 1 9053 1 1378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.4527 *663.4533* 663.4533@1.9445215 1 1 4035 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 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.4533 *663.4542* C32 H61 N11 S2 1 1 1 1 9499 10303 9834 9845 2996 1 5574 9064 1 3253 1 7588 7640 8162 9715 9100 8789 8986 9338 9560 1 1 1 8003 1 1 1 1 8735 1 8548 7690 2153 2705 4047 1 8722 2894 8077 8482 1 1 9754 2131 9957 9412 1396 3661 10543 3159 8960 8645 8116 2924 1 15419 1 1659 1 1 1 1 1 1 1 1 2177 1 1 1 1 1 1 2444 1 1 2021 1 1 1 1 1 1 1 1 1 663.4542 *663.455* C39 H69 N O S3 7007 8363 29479 31043 2029 2948 2888 2594 5702 8596 2951 3083 9274 9156 8561 2466 2061 2637 2590 3979 2972 2278 3007 3250 9789 14581 8752 1906 8200 7944 18520 19997 2492 8824 2382 2501 9136 7852 2951 5940 2929 9991 3135 2778 19208 20661 3833 3240 2424 2047 12507 10734 4224 9384 2620 2394 2391 8383 15099 3666 6724 6085 9033 9802 4527 4876 1 5469 18031 18003 12212 13166 5424 3308 4752 3898 19167 15538 9604 10469 4930 10013 7920 8854 7202 7356 3946 3612 6361 6082 663.455 *663.4952* 663.4952@1.1922426 1320 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 3792 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 1 663.4952 *663.6695* 663.6695@0.99145955 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.6695 *663.7603* 663.7603@0.9968799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1300 1 1639 1 1 1 1 1 1 1 6321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4454 1 1 1 1 1 1 1 1 1 1 1 1 7989 1 1 1 1 1 1 663.7603 *663.7677* 663.7677@0.9958596 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3894 1 1 1 1 10297 1097 1 1 1 1 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2908 1 1 1 10346 1 1 1 1 1 1 1 1 1 663.7677 *663.7793* 663.7793@0.994565 1 1 1483 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 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 5516 1 1 1 1 1 1 1 1 1 1 1228 1 3043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.7793 *663.7931* 663.7931@0.99817514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 663.7931 *663.8207* 663.8207@0.9958342 1 1 1 1 1 1 1 1 1 1 1 1111 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2130 1 1 1 1 1 1 1 1 2821 1314 1 1 1 663.8207 *663.8333* 663.8333@0.9923524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.8333 *663.8425* 663.8425@0.993468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1446 1 1 1 1 1 1150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2469 1 1 663.8425 *663.8577* 663.8577@1.0015438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.8577 *663.8733* 663.8733@0.9966439 1 1 1 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 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 1660 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 3436 1 1 1 1 1 1 663.8733 *663.8833* 663.8833@0.9989144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.8833 *663.887* 663.887@0.9970514 1 1 1 1 1 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1369 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 1692 1 1 1 1 1 1 2473 1 1 1 663.887 *663.9046* 663.9046@0.9934685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.9046 *663.917* 663.917@1.0111662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 663.917 *663.921* 663.921@0.9984156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1337 1 1 1 2877 1 4972 1 1 1 1 1 1 1 1 663.921 *663.9411* 663.9411@0.9991966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.9411 *663.9592* 663.9592@0.99478626 1 1 1 1 1 1 1 1 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 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 1 663.9592 *663.9756* 663.9756@0.9950953 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 1200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 1 1 1 663.9756 *663.9949* 663.9949@0.9931468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1 1 1 1079 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 5987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 663.9949 *664.0053* 664.0053@1.0934081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2399 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 1 664.0053 *664.0222* 664.0222@1.0005794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5982 1 1 1 1 1 1 664.0222 *664.0362* 664.0362@0.9936509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 664.0362 *664.0545* 664.0545@0.995393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3715 2701 1 1 1 1 1 1 1 1 1 1 664.0545 *664.0647* 664.0647@0.9948075 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 1340 1 1 1 1 1 1 1 1243 1 1 1 1967 1 1 1 1108 1 1 1 1 1 1 1 1 1 1 1 1 5700 1 1 1 1 1 1 1 1 664.0647 *664.0794* 664.0794@0.9925227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.0794 *664.0885* 664.0885@0.9955101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 664.0885 *664.0993* 664.0993@0.99872047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1165 1 1 1 1 1 1 1 1 1 1003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1550 1 1 1284 1 1 1173 1 1 1 1 1 1 1 1 1 1 664.0993 *664.112* 664.112@0.99469364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5158 1 1 1 1 1 1 1 1 1 664.112 *664.1263* 664.1263@0.99655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 2697 1 1 1 1 664.1263 *664.1588* 664.1588@1.0681758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1561 1 1 1265 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 1 664.1588 *664.1749* 664.1749@0.9948767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1669 1 1 1 664.1749 *664.1849* 664.1849@0.99955016 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 664.1849 *664.1974* 664.1974@0.99927443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 4353 1 1 1 1 1 1 1 1 664.1974 *664.2184* 664.2184@0.9924022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4506 1 1 1 1 1 1 1 1 1 1 1 3433 1 1 1 1 1 1 1 1 1 1 1602 1 1 1 1 2188 1 1 1 1 4355 1 1 1 1 1 664.2184 *664.2352* 664.2352@0.995628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 664.2352 *664.262* 664.262@0.9962412 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 664.262 *664.4133* C37 H56 N6 O3 S 1629 1480 27892 28681 6673 6654 4466 3803 3609 3557 5940 5534 6879 7175 1788 1966 2355 2157 4266 4433 2445 3013 1680 2429 15898 15840 3408 2874 2981 3039 15471 15461 1536 1 2510 2947 7550 7157 3390 3750 3292 3142 8308 8661 16686 16728 5596 5940 3425 3223 1933 2081 5646 5363 3375 2831 4062 4038 2818 3485 3958 4015 4527 4949 5657 5608 1 1 21216 19712 13424 13308 1822 1819 1763 1778 11076 10701 4573 4429 2417 2216 2123 1912 3854 3935 2060 2694 1746 1749 664.4133 *664.4556* 664.4556@1.0489585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1268 1051 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 2510 4270 1 1 1 1 1 1 1 3987 1 1 1 1 1894 1 1 664.4556 *664.4585* 664.4585@1.2952361 1 1 2259 1 1 1 1 1 1 1 1 1 1 1 1 1081 1 1 1175 1 1 1 1 1 3525 1667 1 1 1 1 1182 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 1 1273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.4585 *664.6764* 664.6764@0.99455404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1 1 1 1 1 1 1 1 1267 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 664.6764 *664.748* 664.748@6.278025 1 1 1 1111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.748 *664.758* 664.758@0.999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2388 1 1 1 1 1 1 1 1 1 1 664.758 *664.7683* 664.7683@0.992266 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.7683 *664.7892* 664.7892@0.9861778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 664.7892 *664.8023* 664.8023@0.99450815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 664.8023 *664.8131* 664.8131@0.9972656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.8131 *664.8361* 664.8361@0.9955522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 664.8361 *664.8699* 664.8699@0.9977864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1196 1 1 1 664.8699 *664.8869* 664.8869@0.9992635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.8869 *664.8936* 664.8936@5.616933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 664.8936 *664.902* 664.902@0.9930684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1054 1 1 664.902 *664.9152* C26 H7 N3 O13 S3 1 1 16876 15856 3064 3429 1 1865 2132 1996 2759 2894 3773 3340 1 1 1269 1 2221 2299 1664 1405 1 1 9396 9269 1964 1578 1504 1758 9318 9108 1 1 1269 1332 4409 3950 1616 1700 1929 1844 4550 5219 9630 9915 3017 2837 1677 1818 1045 1 2844 2950 1560 1755 2090 2298 1443 1395 1926 2004 2506 2549 2725 2714 1 1 10919 11288 7748 7942 1 1 1 1 5744 6460 2266 2162 1559 1 1 1 2156 2068 1381 1 1162 1 664.9152 *664.9266* 664.9266@0.9981853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 1 1 1 1 1 1 1 1 1 664.9266 *664.9436* 664.9436@1.0013126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1049 1 1 1 1 1 1 1 2715 1 1 1 1 1 1 1 664.9436 *664.9587* 664.9587@0.9949998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1362 1 1 1 1 1 1 664.9587 *664.9917* 664.9917@0.9966256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 664.9917 *665.0085* 665.0085@0.9941893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 665.0085 *665.0183* 665.0183@0.99841297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2692 1 1 1 1 1 1 1 1 1 665.0183 *665.0691* 665.0691@0.9941944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 665.0691 *665.1287* 665.1287@0.9938733 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1277 1 1 1 1 1 1 1 665.1287 *665.1437* 665.1437@1.9430345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.1437 *665.1534* 665.1534@0.9965676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1451 1 1 1 1 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.1534 *665.1625* 665.1625@0.9985983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 665.1625 *665.2132* 665.2132@0.98565924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.2132 *665.2335* 665.2335@0.99244887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1047 1 1 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 1 665.2335 *665.2564* 665.2564@0.99655414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.2564 *665.2626* 665.2626@0.9965671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2375 1 1 1 1 1 1 1 665.2626 *665.3837* 665.3837@6.565136 1 1 1322 1891 1140 1 1 1 1 1 1 1132 1152 1184 1 1 4531 4149 1 1 1 1 1 1 1188 1 1 1 1165 1 1059 1 1 1 1 1 1 1 1 1 1 1 2105 2011 1 1232 1390 1393 1 1 1 1 1 1 1 1 1 1252 1037 1 1 1 1 1 1 1 1 1 1322 1311 1 1 1 1 1 1 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 665.3837 *665.666* 665.666@0.99618816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 665.666 *665.7572* 665.7572@0.9921864 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 665.7572 *665.7913* 665.7913@0.9936282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 665.7913 *665.8788* 665.8788@0.9980079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 665.8788 *665.952* 665.952@0.99319255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1001 1 1 1 1 1 1 1 1 1 665.952 *666.1704* 666.1704@0.9944926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14381 1 1 1 1 1 1 1 666.1704 *666.4727* C25 H54 N20 O2 + 4.7616596 7192 6642 7419 5222 7995 8033 7704 8733 6087 8230 7002 7265 7946 7515 6441 5776 7349 7407 6015 7631 7103 6688 7843 6388 6667 11119 7915 6013 6728 5170 6599 8087 7563 8419 7624 7833 7692 8367 7544 6189 6613 8227 7566 8266 12915 7896 8598 9478 8685 10026 8452 8522 9815 7348 8588 8908 9130 9250 8437 9262 6168 4271 5415 5713 5310 5833 6195 5324 5847 5587 5578 4966 4840 6262 5294 4760 4906 3999 5036 4731 5287 5317 2230 5190 5871 4036 5046 4318 4874 5217 666.4727 *666.4728* 666.4728@4.740894 10901 1 1 1 1 1241 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5569 1 1 1 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 6618 1 1 1 1 1 1 1 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 4738 1 1 1 1 1 1 1 666.4728 *666.4729* C25 H54 N20 O2 3803 14566 11809 12942 14118 14617 14445 14090 14242 13862 14082 13849 13832 14246 15232 18294 13505 14889 10547 14618 13447 11908 14066 12763 14346 2325 11498 13965 11662 11940 14289 13911 14329 4450 13262 13651 14042 13473 13521 14358 12970 10493 14081 14076 1737 16094 15970 15926 16842 16338 16733 15314 15054 16746 16324 16811 18173 18144 16601 15617 10794 10550 10843 11534 10620 8781 10366 10439 6507 11191 10813 10960 10686 7342 11182 9945 10727 10809 10901 10683 10896 10696 9622 10310 9364 10523 11208 11186 10788 11495 666.4729 *666.4775* 666.4775@4.834757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1281 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.4775 *666.8941* 666.8941@0.8019337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 666.8941 *666.974* C28 H5 N5 O16 4573 4369 4467 4613 3706 4226 4027 4306 3740 4546 4367 4223 8306 4529 4579 5167 4681 4167 7915 4193 8543 7824 8036 4290 4286 4306 8234 4192 4243 4610 3609 4069 4161 4095 3995 4535 3877 7860 8783 7914 8366 3802 4672 4243 9383 9334 4923 4992 9716 10163 5199 5393 5539 4267 10169 4896 5518 10537 5140 5097 6408 2822 2888 2876 2812 6387 2664 6491 2915 5978 2463 2510 2915 2031 2708 2520 2553 2668 2581 2632 6435 2579 3014 6011 6413 2834 6372 2875 2944 2861 666.974 *666.9741* 666.9741@4.638919 1 1 3622 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 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1140 1 1 1 1 1 1 666.9741 *666.9761* C20 H13 N O25 8885 8257 3874 9191 8286 8260 8375 8103 8581 8521 7953 8496 4526 8007 9168 9090 8461 8109 4037 8202 3826 3142 4788 6692 8340 8131 3858 8399 7802 8662 8894 8336 8341 6703 8470 8116 8426 4614 4462 4734 4429 8203 8166 7830 5525 5204 9787 10497 6115 4632 9701 10429 10118 8427 4407 10280 10295 4669 9816 9889 2856 6213 6438 6153 5629 2887 5986 2830 6035 3052 6300 5895 6310 6438 5757 5283 5324 6433 6559 5832 2356 6332 6423 3090 2924 6673 2741 6262 6716 6055 666.9761 *667.434* 667.434@6.255907 1 1 2901 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.434 *667.4674* 667.4674@4.8340664 1 1 1 1 1 3974 1 3243 2590 3174 3835 4332 1869 4170 1 1244 4808 4486 1465 1352 1 1134 1229 2031 1356 4553 1917 1229 1 1 1 3282 1 3119 3463 3483 1 3008 1 3218 1 3429 3186 3982 1 3467 3457 1431 1 1 1654 1 1053 1 1423 4517 1 1 2547 3112 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 1 667.4674 *667.4678* 667.4678@4.8465676 1 1 1 1 1 1 1 1 1 1 1 1 1221 1 1 3966 1 1 2621 1 1 1 1 1718 1 1 3318 1 1 1 1 1 1 1463 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 1 1 667.4678 *667.4782* 667.4782@4.6860137 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 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 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 667.4782 *667.7663* 667.7663@6.25189 1 1 2869 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 1 1 1 1 1 1 1 667.7663 *667.8731* C26 H Cl O20 3600 3463 3585 3410 3439 3446 3597 3672 3572 3334 3605 3777 3335 3349 3455 4227 3472 3033 3660 3468 3809 3937 3800 3439 3459 3315 3718 3609 3435 3127 3597 3395 3750 3575 3672 3505 3535 3520 4045 3642 3518 4024 3234 3548 3546 3602 3538 3596 3747 3761 5237 5699 4770 4398 4437 4325 3917 3657 3797 3529 4554 4793 3831 4078 4185 4066 4487 4553 3661 3545 5372 5626 3513 3630 3953 4398 4828 5518 5021 4687 5558 5678 5689 4882 6090 5742 5168 5003 4688 4550 667.8731 *667.9655* 667.9655@4.8659716 1 1 1979 1 1 1 1 1 1 1699 1 1 1 1 1941 2803 2205 1 1 1 1 1 1 1885 1 1 1 1 1 1570 1 1 1 1 1 1 1 1 2204 1 1 1 2637 2807 1 1 1 1 1 1 1318 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 1 667.9655 *668.1013* 668.1013@6.2564025 1 1 1582 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.1013 *668.3277* C44 H48 N2 S2 3679 2341 1335 3036 4385 2690 8900 2963 2190 4338 2230 2044 18300 17133 8077 11937 11008 9363 7361 7976 2342 5132 2032 3930 9413 7070 3490 2324 12305 18228 49740 47604 7699 9767 4710 7168 8814 8805 9367 9589 29900 29957 8845 14099 24651 26339 13306 14918 6179 8793 25165 24991 34181 17111 13243 14056 1 1 8104 12488 65973 66312 16700 25195 52038 52669 10138 10498 6013 5815 11409 6660 6237 10384 3230 3311 13911 9159 6286 4395 8849 11343 18243 18056 1 1 14918 15558 17873 18321 668.3277 *668.3813* 668.3813@5.488964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1289 1353 1 1 1 1 1088 1144 1313 1 1 1 1120 1 1402 1 1 1 1 1 668.3813 *668.7511* 668.7511@8.336629 1 1 1170 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 668.7511 *669.0802* 669.0802@8.344827 1 1 1 1133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.0802 *669.21* C32 H31 N9 O6 S 1024 1 1 1011 1 1103 1 1169 1263 1204 1 1 1 1 1069 1032 1 1 1033 1006 1088 1063 1 1015 1 1 1 1 1 1 1052 1 1074 1189 1 1 1 1 1 1229 1070 1 1 1 1 1 1 1 1 1 1 1 1 1 1068 1064 1 1151 1 1 1614 1607 1244 1246 1226 1376 1359 1358 1047 1014 1249 1322 1014 1075 1084 1269 1153 1471 1510 1435 1356 1270 1273 1259 1277 1583 1054 1338 1267 1250 669.21 *669.3168* 669.3168@1.015002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3846 1 1 1 1 1 1 1 1 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 2553 2509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.3168 *669.3243* 669.3243@1.0440607 1 1 1 1 3098 1 1 3197 2741 2024 2840 2592 1 1 3178 1 1 5748 1 1 3543 3734 1863 1 1 1019 1 1 1 1 1 1 3877 1 1 1 1 1 4304 3246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7334 1 1 1 1 1 4982 6756 1 1 1 1 1 1 1 1 1 1 3390 1 1 1 1 1 1 1 1 1 669.3243 *669.3755* 669.3755@1.09634 1 1 5388 4891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1629 1184 1 1 1 1 2471 3679 1 1 1 1 1 1 1 1 1 1 1 1 1811 1739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4119 4247 1606 1003 1 1 1 1 1249 1073 1 1 1 1 1 1 1 1 1 1 1 1 669.3755 *669.4614* C34 H67 N7 S3 3957 1 4655 4052 5999 1 3950 3653 3611 3319 3010 3239 4314 3710 1 5392 4856 5138 2902 2958 1 1 1889 1752 1 5759 2100 1745 3442 4306 1 9186 1 6488 5158 4889 2678 3006 4395 4656 1 7120 3588 2758 5384 5261 1 6582 1 1 8858 1 7350 1 3784 2919 2989 3248 1 5806 8162 1 3769 3932 5800 1 2399 2546 4976 4393 1 4165 3755 3341 2849 2640 4424 1 2507 2600 2680 2539 4971 5054 1 1 3095 2748 3906 4195 669.4614 *669.535* 669.535@1.193798 3551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.535 *670.3476* 670.3476@1.0459926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 670.3476 *670.3525* 670.3525@1.0447545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.3525 *670.4402* 670.4402@4.8661084 1 1 8588 8278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2735 2057 1 1 1 1 2788 3150 1 1 1 1 1 1 1 1 1 1 1 1 2420 1851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3929 3472 2706 2507 1 1 1 1 1403 1 1 1 1 1 1 1 1 1 1 1 1 1 670.4402 *670.4657* 670.4657@0.99375594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1164 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.4657 *670.4749* 670.4749@1.0697837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 670.4749 *670.4835* 670.4835@1.076096 1 1 1 1 1 1956 1 1 1 2009 1 1 1 1 1 1478 1 1 1 1 1 1069 1 1 1 1958 1 1 2494 1729 1700 1 1939 1441 1 1 1 1 1 1 3155 2847 1 1 1 1 1 1 1 1 1275 1 1 1 1821 1 1 1 1612 1 1442 1 1 1 2367 1162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1238 1 1 1 1 1 1 1 1 1 670.4835 *670.942* 670.942@4.865441 1 1 4682 3777 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 1603 1673 1 1 1 1 1 1 1 1 1 1 1 1 1405 1677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 2119 1570 1487 1 1 1 1 1035 1 1 1 1 1 1 1 1 1 1 1 1 1 670.942 *671.5172* 671.5172@1.2467113 1 1 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 5380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 671.5172 *672.4246* C44 H56 N4 S 1 1 1 1765 3833 1 2672 1 1 1 1 1 5205 4851 11927 1578 5356 1439 7243 1 2601 1 1 2505 2440 2130 1 2647 5107 7485 27264 21479 1 1267 1 1 5865 1 1 7329 11243 1926 1 2618 5830 5926 1 6333 6186 5974 1 10196 14971 15082 8236 7903 1 1 5607 1 27065 26527 12875 16107 23025 24032 4970 1 1 8262 1 7183 1 5346 1 1 8731 1 1 1 5596 7889 2132 18020 1 1 4531 1 1 1435 672.4246 *673.3989* 673.3989@4.5250206 1 1 4854 5934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.3989 *673.4543* C40 H67 N O3 S2 1 1121 2430 2837 4141 4285 3324 3456 2886 2709 2274 1852 6870 6017 9693 9701 5070 4646 5288 5437 3198 3112 2441 2788 2874 2745 2782 2661 5721 6293 19946 19874 7447 6200 3194 2637 4309 4550 6840 7016 10391 9950 2388 2947 6015 5418 5764 6461 5121 5142 9246 8972 12369 12517 6407 6295 1 1 4220 4611 18606 19052 10578 11452 14952 14974 4363 4020 6322 6195 5738 5297 4175 3745 1500 1 6709 6120 3625 3626 4281 4588 11225 11044 1 1 4133 4483 7225 7519 673.4543 *673.4947* 673.4947@1.2027379 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1249 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 1 673.4947 *673.9014* 673.9014@4.5230217 1 1 2811 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 673.9014 *674.131* 674.131@1.4181523 1 1 1381 1481 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.131 *674.3297* 674.3297@1.1027122 1 1 1 4555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.3297 *674.339* 674.339@1.6545386 1 1 1 1 1 1 2756 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.339 *674.4625* 674.4625@1.132165 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.4625 *674.6705* 674.6705@1.0982423 1 1 1 1 1 3536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2452 1 1 5764 1 7659 7758 1 1 1 1 1 2457 1 1 1 14686 1 1 6011 1 1 1 1 1 1 1 2777 1 1 1 1 1 1 1 1 1 1 1 4117 4513 1 1 1 1 1 3339 1 1 1 3755 4415 3835 1 4150 1 1 1 1 1 1 9125 1 1 1 1 6916 1 1 674.6705 *674.8862* 674.8862@5.4877305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.8862 *675.3807* 675.3807@1.0745219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 675.3807 *675.4556* 675.4556@1.3760154 1 1 5768 7774 1 1 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 4513 1 1 1 1 1 1 1 1 1 1 1 1 3119 3544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4828 4317 1 1 1 1 1 1 3653 1990 1 1 1 1 1 1 1 1 1 1 1 1 675.4556 *675.4578* 675.4578@1.20132 1 1 5605 5811 1 1 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 4998 1 1 1 1 1 1 1 1 1 1 1 1 3844 4429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4120 3978 1117 1 1 1 1 1 2738 3512 1 1 1 1 1 1 1 1 1 1 1 1 675.4578 *675.4658* 675.4658@1.2030057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 675.4658 *676.4428* 676.4428@4.8835154 1 1 1740 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 676.4428 *676.4618* 676.4618@1.4197079 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 676.4618 *676.9451* 676.9451@4.8875732 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 676.9451 *677.3272* C32 H47 N5 O11 25657 25945 23517 24754 30759 30595 9084 28044 29628 29980 22584 24114 30702 30141 30663 31866 31415 31631 30446 30912 31409 31507 30203 29504 28030 26086 27141 26567 34785 33857 31149 29942 26155 25062 3848 24712 24611 25877 28538 27739 29842 30707 28611 27997 30289 28401 28567 28905 30414 29849 32457 33178 31758 31290 24042 24621 22290 21477 23899 24773 41099 38753 28428 28232 27658 28317 22349 22753 29940 29112 20172 26627 25374 26021 26705 26224 27692 27905 22929 23565 23273 24415 25395 26102 20874 21348 27352 27607 28183 28636 677.3272 *677.328* 677.328@1.0251958 1 1 1 1 1 1 18923 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20529 1 1 1 1 1 1 1 1 1 1 1 1 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 1 677.328 *677.4334* 677.4334@6.039545 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4334 *677.4389* 677.4389@6.3667655 1 1 33877 33866 1917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11736 11065 1 1 1 1 10031 10050 1 1 1 1 1466 2160 1 1 1 1 1 1 8280 7264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10953 11505 9853 10413 1 1 1 1 5854 6396 1 1 1 1 1 1 1 1 1 1 1 1 677.4389 *677.447* 677.447@4.764052 1 1 19275 18577 1178 1 1 3530 1 1 1 1 1873 2093 1 1 1 1 1 1 1 1 1 1 7229 7694 1 1 1 1 139711 7446 1 1 1 1 8508 1890 1 1 1 1 1 1487 7404 7627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10915 11940 9726 9891 1 1 1 1 5015 4505 1 1 1 1 1 1 1 1 1 1 1 1 677.447 *677.4476* C38 H63 N O9 1130 1 348862 341820 21207 20963 6257 2527 1 1 1 1 24197 22563 1 1 5541 5146 10392 10511 1 1 1 1 106329 113573 1 1 1 1 9534 136363 1 1 1694 2397 2096 8755 2203 2352 5859 6845 11336 10934 107227 111324 7904 7317 2131 2674 1 1 14020 13188 1801 1 1 1 1 1 7597 7786 11534 13012 15022 15699 1 1 164715 162516 123991 125097 1 1 1573 1 88246 87921 5941 6038 1 1 1 1 1 1037 1 1 1 1 677.4476 *677.4523* 677.4523@4.8956223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4523 *677.4617* 677.4617@4.769595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4617 *677.4709* 677.4709@1.7978342 1324 1 1 1 2619 1 1 1 1 3653 1 3090 1 6908 1 1 2650 1 1 1 1 1643 2427 1 1 4414 1 1 1 1 1 1 1 1 1 1 2123 1 1 2458 3648 3844 1 1 1 1 1 1 1 1 1 1148 1 1547 1 2535 1 1 2990 1 1 1 1 1936 1 2222 1 1 7629 1 1 5565 1 1796 3517 1 1 5963 1 1 2008 2244 4581 1479 1 1 1 1827 2252 1 677.4709 *677.471* C35 H67 N O11 + 1.341136 58748 57883 1084143 1089418 165517 169619 89065 87830 92455 92328 72687 70223 147481 149772 126089 123132 100630 103979 1 143914 88862 87152 83161 83101 321460 1 89952 92043 112412 117422 690457 1 132972 133901 74958 74623 68614 68581 90263 77942 178495 184939 69228 66342 520814 528044 97029 96791 120491 119712 1 1 1 1 1 128381 29768 29752 106962 105422 1 74972 176508 180849 1 1 87166 1 692391 711780 1 1 72407 70264 49821 1 1 1 1 1 1 1 134090 1 1 1 1 1 91992 1 677.471 *677.4711* C33 H63 N11 S2 2042 2223 32271 33656 5009 1733 4206 3781 3148 5153 2875 3615 3558 1794 4930 4745 4515 4321 147456 5372 3920 4898 4614 4347 10375 330317 5070 4963 5265 5573 21121 719628 5506 5518 4676 3032 3694 3712 4334 3501 6054 7092 3672 3815 10650 10298 5303 4619 5180 6042 133788 137304 161633 159027 131408 5094 2108 2006 2971 5714 183654 104816 6813 4443 149538 148601 2682 87578 15428 22702 354826 354981 3021 2772 1924 52078 481591 500019 114823 115230 97935 99668 4648 135326 32115 31567 76524 78209 2261 93866 677.4711 *677.4711* 677.4711@1.3152652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 27239 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4711 *677.4713* 677.4713@1.1670238 1 1 26562 27827 2455 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1 1 1 1 1 11805 11771 1 1 1 1 10406 9402 1 1 1 1 1 1 1 1 1 1 1 1 5741 6590 1 1 1 1 1 1 2421 2180 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 14437 11333 11024 1 1 1 1 5010 5281 1041 1 1 1 1 1 1 1 1 1 1 1 677.4713 *677.4714* C35 H67 N O11 11835 11243 244172 234068 38677 37174 19699 21503 18958 19897 15091 15183 33226 28405 30971 30400 24327 24001 31774 35206 20490 18869 16119 18183 68023 66878 20219 19569 29768 28325 169773 162926 34405 32606 17627 18051 13480 14777 19383 20168 42044 39567 16435 15925 119007 106801 22540 21144 29777 28549 24413 28959 34208 28360 25708 29217 5446 4267 21712 22650 39945 39084 41996 38391 34628 32548 17641 16260 160949 179150 71525 69213 18025 14395 8145 10742 100326 97210 24397 21807 20131 19127 30109 26904 5384 5404 15473 14614 20163 20384 677.4714 *677.4716* 677.4716@1.7177242 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2235 1 1 1 1 1562 1 2562 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4716 *677.6855* 677.6855@7.5395827 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.6855 *677.7729* 677.7729@6.3665314 1 1 29343 28576 1631 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9784 10453 1 1 1 1 8921 8530 1 1 1 1 1657 1689 1 1 1 1 1 1 6983 6739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9753 9182 9190 8826 1 1 1 1 4785 5266 1 1 1 1 1 1 1 1 1 1 1 1 677.7729 *677.7778* 677.7778@1.3445307 1 1 8819 6174 1 1 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 3733 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.7778 *677.8415* 677.8415@1.3493603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 677.8415 *677.9257* 677.9257@3.8403075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 4249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.9257 *677.9263* 677.9263@3.805971 1 1 1 1 1 1 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 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 4077 2246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.9263 *677.939* 677.939@1.3588679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 677.939 *677.949* 677.949@4.734264 1 1 1 1 1 1 1 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 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 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 5770 1 1 1 1 2654 2477 1 1 1 1 1 1 1 1 1 1 1 1 677.949 *677.9493* C27 H6 N2 O20 1 1 16387 214455 13311 13261 2922 3095 1 1 1 1 13664 12936 1 1 2821 2605 5915 5861 1 1 1 1 68945 4113 1 1 1 1 85946 20681 1 1 1 1 1736 5357 1 1 3275 3381 6085 6463 68625 70850 4299 3960 1 1389 1 1 8414 7172 1 1 1 1 1 1 4543 4050 7845 7178 9316 9787 1 1 105070 100667 76668 75565 1 1 1 1 54629 54579 3080 3272 1 1 1 1 1 1 1 1 1 1 677.9493 *677.9502* 677.9502@4.8508043 1 1 212875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69788 1 1 1 1 1 5130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.9502 *677.9534* 677.9534@4.8234367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61352 1 1 1 1 4134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.9534 *677.9551* 677.9551@1.2401462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1357 1 1 1 1 1 1 1 1 1 1 1 1 677.9551 *677.9768* 677.9768@1.3327638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 677.9768 *677.9989* 677.9989@1.341198 1 1 1 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.9989 *678.02* 678.02@1.2999264 1 1 2554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1335 1 1 1 1 1 1 1 1 1 1 1 1 1 678.02 *678.0479* 678.0479@1.3612511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.0479 *678.1069* 678.1069@1.3537987 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.1069 *678.1075* 678.1075@6.3661046 1 1 17280 17827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6275 6632 1 1 1 1 5262 4779 1 1 1 1 1 1 1 1 1 1 1 1 4035 3651 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6232 5488 5266 5138 1 1 1 1 3292 2716 1 1 1 1 1 1 1 1 1 1 1 1 678.1075 *678.132* 678.132@1.3587334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 678.132 *678.1566* 678.1566@1.3494159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.1566 *678.1863* 678.1863@1.2420584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2122 1 1 1 1 1 1 1 1 1 1 1 1 1 678.1863 *678.2116* 678.2116@1.3558743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.2116 *678.2549* 678.2549@4.8409996 1 1 1718 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 1 1 1 1 1 1 1 1 1 1 678.2549 *678.3848* 678.3848@1.0377774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2147 2312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.3848 *678.4027* 678.4027@1.0503805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1802 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.4027 *678.4297* 678.4297@3.803134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2657 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.4297 *678.4317* 678.4317@3.8401234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 1620 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.4317 *678.4384* 678.4384@1.1668938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1691 1507 1 1 1 1 1 1 1 1 1 1 26375 25163 1 1 1 1 1 1 1 1 1 1 1 1 9683 9817 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1784 1 1 1 1 1 1 22754 22184 1 1 1 1 1 1 5951 5869 1 1 1 1 1 1 1 1 1 1 1 1 678.4384 *678.472* 678.472@1.2662162 1 1 1 1 1 2807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1162 1435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.472 *678.4739* 678.4739@1.7929287 1 1 1 1 1579 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 1865 1164 1 1 1 1 3364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1100 1 1 1 1 1 5110 4694 1 1194 1 1 1 1 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 678.4739 *678.8147* 678.8147@1.3573061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.8147 *678.8313* 678.8313@1.2430559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1 678.8313 *678.8997* 678.8997@1.3508438 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.8997 *678.9089* 678.9089@1.3226624 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.9089 *678.9494* 678.9494@4.7593837 1 1 1 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.9494 *678.958* 678.958@1.3438694 1 1 1 2022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 678.958 *678.9684* 678.9684@1.3681546 1 1 1 1 1 1 1 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 1 678.9684 *678.999* 678.999@1.3497837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 678.999 *679.0349* 679.0349@1.3375186 1 1 1 1 1 1 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 1494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.0349 *679.1551* 679.1551@1.3657824 1 1 1388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.1551 *679.176* 679.176@1.3563198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.176 *679.4008* 679.4008@4.083936 1 1 2997 3092 1 1 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 1783 1 1 1 1 1 1 1 1 1 1 1 1 2698 2878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 2000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.4008 *679.472* 679.472@0.9953795 1953 1 2230 1 1 1 1 1 1 1 1 1 1 1 1 1 2245 1 1456 1715 2795 1 1350 1 1430 1 1 1 1850 1993 1 1 1 1739 1 1748 1917 3818 1882 1 1952 1771 1 1762 1853 1983 1 4589 1 1 1 1 2818 2517 1 1 1 1 1 1 1 2270 1 5228 1 1 1 1 1 4963 1 8560 1 2454 1 1 1 1 1 1 1 1 1 1 8092 1 1 1 1994 2337 679.472 *679.4721* 679.4721@1.7795478 1 1 1 1 1 1 1 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 1 679.4721 *679.4742* 679.4742@1.8219543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.4742 *679.4929* 679.4929@1.2282965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.4929 *679.6882* 679.6882@1.3378205 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 679.6882 *679.9289* 679.9289@4.838287 1 1 11510 11376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4254 3018 1 1 1 1 4728 4486 1 1 1 1 1 1 1 1 1 1 1 1 3204 3411 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5963 5757 4171 4035 1 1 1 1 2621 2275 1 1 1 1 1 1 1 1 1 1 1 1 679.9289 *680.0973* 680.0973@5.643022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1041 1071 1 1 1 1 1 1 1 1 1157 1141 1 1 1 1 1 1 1 1 1 1277 1 1 1066 1 1 1 1 1 680.0973 *680.3339* 680.3339@1.1995656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.3339 *680.3392* 680.3392@1.0615174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.3392 *680.4344* 680.4344@4.840194 1 1 7277 7350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1310 1324 1 1 1 1 1848 1 1 1 1 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3530 3172 2351 2189 1 1 1 1 1612 1796 1 1 1 1 1 1 1 1 1 1 1 1 680.4344 *680.4436* 680.4436@4.8047748 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.4436 *680.4681* C39 H68 O7 S 2637 1 2496 14617 23206 22488 11539 11350 1 12075 1 11677 9698 9729 16950 17457 13556 14194 8750 9295 3002 2799 1 6431 20649 19976 1 1 13856 14130 24137 22917 4093 26339 18836 18254 1673 1 17031 2836 25562 25626 12667 11768 2628 11487 1 1 25214 3875 1 1 14396 13942 1 1 1 1 1 1 3514 18938 2563 1 16784 1 1 1 1 1 1 1 2134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13377 2611 680.4681 *680.4778* 680.4778@0.9971497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 680.4778 *680.4789* 680.4789@1.310604 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 680.4789 *680.4879* C26 H56 N20 O2 22016 20427 19340 21554 4662 20860 20121 21367 20639 20700 20199 19402 20088 20434 20628 21480 19447 20293 20719 19674 19924 20006 19932 20743 19509 19416 20781 19414 20737 18105 20131 20524 19590 19015 20060 20569 19885 19357 19434 19691 19694 20559 20787 17941 24529 23836 24092 25672 4759 23312 25150 24182 24291 23925 24321 24329 25641 25640 24100 22598 13449 14303 15102 13319 14874 15129 14842 13972 14577 14628 14155 15772 14550 13763 14195 13273 14427 14765 14783 14150 2318 15586 13989 14745 13775 13641 14833 14489 15977 15671 680.4879 *680.489* C26 H56 N20 O2 + 4.720962 11305 9723 8318 11457 10840 9811 10478 11379 9850 11686 9517 9264 7838 8719 10030 12198 11269 11046 10274 10221 9804 9805 11399 11145 10137 9832 9904 11313 10122 10965 9847 2702 11849 10894 11427 11147 10578 9196 9494 9759 9874 9192 10820 10443 12617 11245 12647 6440 19624 14176 11346 11241 12807 12491 11635 12562 15223 12978 11321 13560 8582 7039 8123 7908 6743 7193 7623 8489 8274 7629 7435 7724 7694 7613 8193 6992 7463 7659 7358 7869 7891 7292 6529 7668 7510 6906 7677 8518 7837 6764 680.489 *680.4901* 680.4901@4.6765394 1 1 1 1 15950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6912 13305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12237 1 1 1 1 1 1 1 1 1 680.4901 *680.5612* 680.5612@1.2085514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 680.5612 *680.8357* 680.8357@1.2047342 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1136 1 1 1 1 1237 1 1 1 1 1192 1245 1015 1 1015 1 1 1 1 1 1 1040 1 1 1 680.8357 *680.9722* 680.9722@4.839882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.9722 *680.9894* 680.9894@4.6796303 1 1 1 10159 5613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10795 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1980 1 1 1 1 7602 4053 5339 1 1 1 1 1345 1 1 1 1 1 1 1 1 4129 1 1 1 1 1 1 7140 1253 2760 1 1 680.9894 *680.9897* C21 H11 N7 O18 S 13444 12906 11855 1061 2621 12984 13504 7677 12739 11925 12864 12549 12705 12735 7356 13782 7589 11994 12197 12400 12812 1620 11983 12993 13078 12999 13287 12861 12135 11701 12916 12663 13396 11884 12691 11742 12262 13425 12568 11832 12619 12183 12714 12654 14349 15876 14892 15591 14724 14868 15249 6349 14932 14691 7686 15224 17124 15973 8292 15512 8249 4844 1006 4985 2704 9105 9357 4012 8320 7268 8923 9036 9071 7960 4600 8906 9432 9403 1299 8713 8200 9070 8755 8946 9129 1848 3644 9307 9545 9463 680.9897 *680.9903* C21 H15 N O25 6502 6150 5856 5533 10560 6691 6269 12754 7274 7026 6301 6482 6476 6462 14299 5728 11253 7564 7350 6884 6639 6992 5218 6583 6667 5352 7100 6659 6261 6153 6969 6062 5669 6501 6473 7097 6515 6635 5792 6041 6598 7199 5201 7009 6882 7964 7806 8146 8539 9950 8039 15375 6561 8898 16154 8070 6121 5626 15692 8588 3919 8776 4054 4379 4217 4262 4189 8853 4551 2870 4058 3557 4056 4659 8501 3862 4241 4552 7089 3881 3723 3741 4415 4129 4440 4057 7380 1107 4067 4537 680.9903 *680.9933* 680.9933@4.5616364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1236 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 680.9933 *681.1236* 681.1236@2.8440776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1662 1504 1 1296 1271 1 1 1 1741 1 2784 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1573 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 1 1 1 1 1 681.1236 *681.1727* 681.1727@1.2056495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1760 1 1070 1028 1117 1 1 1 1230 1093 1273 1051 1103 1 1 1 1030 1 1 1091 1173 1 1 1167 1 1 1 681.1727 *681.3556* 681.3556@1.026909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1115 1 1 1 1 1 1 1 1 3153 1 1 1 1 1 1 1 2229 1 1 1 1 1 1 1341 1 1 1 1 1 1 1 1 1 1 1 1 2084 1903 681.3556 *681.3639* 681.3639@1.0188739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.3639 *681.4941* 681.4941@4.5747943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1089 1 1257 1 1 1 1 1 1 1 1 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.4941 *681.4953* 681.4953@1.2131293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 681.4953 *681.4973* 681.4973@4.709188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 681.4973 *681.5056* 681.5056@1.2142256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 681.5056 *681.5102* 681.5102@1.2050644 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1182 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.5102 *682.1062* 682.1062@6.33431 1 1 1556 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.1062 *682.1187* 682.1187@2.8483522 1 1 1 1 1 1 1 1 1 1 1 1 2542 2511 1 1 1114 1 2132 2286 1700 1605 1691 1587 1 1804 2198 2588 3727 4477 1 1 1 1 1 1 1 1 1 1 1044 1 1 1 1342 1 1046 1 2978 2842 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 1 682.1187 *682.4074* 682.4074@4.8470016 1 1 1615 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 1 1 1 682.4074 *682.4249* 682.4249@1.1673056 1 1 1638 1910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1404 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.4249 *682.426* 682.426@1.9678702 1 1 5829 6800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1513 1913 1 1 1 1 4502 4577 1 1 1 1 1 1 1 1 1 1 1 1 2597 2472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1252 1 1 1 1 1 1 1 4490 4237 2060 1708 1 1 1 1 3101 3040 1 1 1 1 1 1 1 1 1 1 1 1 682.426 *682.4374* 682.4374@6.334803 1 1 1782 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 682.4374 *683.1992* C44 H30 Cl N3 O3 17033 17251 39350 50023 20062 18032 16990 16005 34614 31052 7102 7069 8942 8907 7805 3361 6324 6560 7641 6783 20120 20404 19692 18917 20111 21171 7474 7002 8221 8268 17866 20363 15625 15006 14944 14918 14168 13895 53811 39638 9716 7632 14895 11627 5886 5189 8727 13665 6262 6432 14630 15486 16978 16757 15099 15887 16505 16100 35819 25118 11399 10843 13412 12687 11571 12035 9134 3857 29187 27183 3463 1299 6275 4439 5195 4848 6256 6222 4797 4117 13061 12413 1 12059 15281 15298 15966 14345 6383 5923 683.1992 *683.4813* 683.4813@1.3413049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3801 2447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.4813 *683.5548* C43 H74 Cl N3 O 4973 1309 1693 1583 1595 1569 1325 1922 1933 1955 1603 1473 1706 1723 1810 1039 1176 1246 2371 2192 1531 1206 1267 1483 1592 1251 2185 2114 1798 1956 2209 1978 1207 1757 1547 1170 1861 1454 1744 1255 1625 1208 1377 1508 2651 2483 2371 2551 2423 2335 2315 2242 2240 2324 2287 2583 4045 3846 2494 2872 1 1 1157 1480 1067 1198 1110 1997 1 1016 1 1 1 1 1 1 1188 1132 1 1 1 1 1632 1752 1 1321 1076 2549 1030 1 683.5548 *684.2002* 684.2002@0.9911932 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5602 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 684.2002 *684.4535* 684.4535@4.8130555 1 1 20174 20095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5626 5614 1 1 1 1 8591 8554 1 1 1 1 1 1 1 1 1 1 1 1 6755 6955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10316 9709 7337 7576 1 1 1 1 5140 5506 1 1 1 1 1 1 1 1 1 1 1 1 684.4535 *684.5407* 684.5407@1.1701908 1 1 1 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 1 1 684.5407 *684.9579* 684.9579@4.813413 1 1 13110 12800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3123 3189 1 1 1 1 5452 5067 1 1 1 1 1 1 1 1 1 1 1 1 4027 3458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6608 6419 4482 4243 1 1 1 1 3479 3337 1 1 1 1 1 1 1 1 1 1 1 1 684.9579 *685.3508* 685.3508@1.0327327 1 1 1 1 1 2193 1 2926 2146 1 1756 1685 1 1 1 1 4180 1 1 1 2374 1 1 1 1 1 1868 1888 6459 1 1 1 1 1 2282 1 1 1 1 1 1 1 4955 1 1 1 1 1 3313 1 1 1 1 14006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7037 7195 1 3586 3914 1 1 1 1 4774 1 1947 1 1 1 1 1 1 1 1 1 1 685.3508 *685.5642* C44 H79 N S2 1 1 1 1 1941 1992 1792 1150 1 1 1842 1690 1 1 2437 2104 2406 2459 1 1 1258 1496 1 1 1 1 1 1 2828 2928 1 1 1110 1546 2417 2206 1 1 2333 2524 1837 1969 1 1300 1 1 1 1 3112 3052 5226 5691 2943 2569 3443 3244 1 1 4126 3894 1 1 1519 1326 1 1 1 1 1119 1476 2724 2832 1 1 1 1 1 1 1 1 1 1 3486 3483 1 1 1675 1032 1 1 685.5642 *686.1774* 686.1774@1.5869125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1563 1089 1 1 1 1 1 1 1 1 1 1 1912 1988 1 1 12754 11940 1 1 1 1 1 1 1 1 2768 2950 1 1 1 1 15008 15159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4397 4326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 686.1774 *686.1976* C38 H42 N2 S5 2670 2731 5943 8995 1 2470 2156 2496 6018 4588 1 1 1 1 1 1 1 1 1 1 3489 3372 2990 2630 2821 1 1 1 1 1 2530 3015 2167 2201 1944 2161 1805 2080 9126 6659 1 1 2267 1 1 1 1 2167 1 1 2011 1 2262 2277 2289 1860 2588 2429 5595 4007 1 1327 1 1 1395 1671 1 1 4234 4215 1 1 1 1 1 1 1 1 1 1 1 1734 1 1661 1 2033 2426 1957 1 1 686.1976 *686.4267* C37 H58 N4 O8 1 1 20010 19343 4080 4642 2307 2995 2386 1918 4068 4353 4847 4896 1 1 1207 1605 2848 2821 1976 2239 1 1 12199 12170 1502 1931 2118 1750 11047 11624 1 1 1528 1165 5455 5696 2264 2297 2364 2670 6150 6532 12518 12672 3648 3443 2385 2273 1484 1 4287 3600 1632 2455 2639 2811 1710 1719 2114 1966 3321 3251 4082 2970 1 1 15083 13916 9635 10005 1 1354 1143 1 7715 8037 2165 3366 1602 1414 1409 1 2317 2696 1 1579 1169 1226 686.4267 *686.9274* C25 H5 N O23 1 1 12743 13163 2287 2375 1664 1742 1217 1669 2410 2124 2593 2628 1 1 1 1 1775 1584 1 1 1 1 6985 6803 1154 1080 1170 1 6646 6400 1 1 1 1 3176 2877 1247 1270 1370 1 3531 3610 7409 7555 1689 2059 1511 1 1 1 2059 2078 1142 1393 1443 1672 1 1 1387 1322 1 1782 1917 1813 1 1 8523 9021 5513 5460 1 1 1 1 4529 4437 1778 1559 1 1 1 1 1293 1434 1 1 1 1 686.9274 *687.4949* 687.4949@1.0601999 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.4949 *687.512* 687.512@1.4793288 1 1 1 1 1 1 1 1 1 1 7807 6391 1 1 3815 1 1 1 1 1 1 1 4844 4334 1 1 3764 1 1 4091 1 1 1 1 2107 3259 1 1 1 1 1 1 8951 6446 1 1 1 1 1 1 1 1 1 1 5808 5277 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 3989 1 1836 2634 1 1 1 1 1 687.512 *687.5144* 687.5144@1.5338941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 687.5144 *688.4183* C38 H66 Cl2 O6 1 1 1 1 2937 1 1 1 1 1 1 1 2169 4315 6499 1 3920 2851 6233 3600 2669 2105 1 1 1 1 3420 3264 4186 5146 1 1 4622 2106 1 1 1 3579 4346 4618 10332 1542 1 1 4117 3196 1 2859 1 3612 6213 1512 10096 9639 1 1 1 1 1 5790 15455 19885 9014 2494 16397 16342 4336 2933 1 2193 6290 4610 3423 1 1 1 1 5205 1 1 1 1457 12145 4161 1 1 4194 1 1 7551 688.4183 *688.4328* 688.4328@1.0541021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 688.4328 *688.486* C34 H56 N16 8262 10355 16589 1 11999 11005 10799 1 12535 4539 10104 1 11506 1 1 18087 8107 11641 7357 10310 12727 15938 9385 9760 10256 10869 16375 14939 10432 11546 5670 10402 11536 11486 15126 8507 4896 9614 9021 15804 12069 9165 7830 14456 10456 12221 12603 14477 10105 8412 12064 11809 14196 13221 12007 11939 20013 13956 12566 11845 11085 10646 1 7567 7298 7442 8735 7932 1 11490 7964 7716 8556 1 3381 1 7928 7934 8172 8612 7787 11135 6595 8130 8602 7663 7897 7803 1 3815 688.486 *688.4866* 688.4866@4.746273 1 1 1 1 1 1 1 1 1 1 1 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 1 688.4866 *688.4886* C34 H56 N16 + 4.8320394 4797 6470 1 1 4887 5370 6390 15976 2705 12586 6526 11797 4498 5037 17098 1 4921 5573 5716 6376 3584 1 7308 6904 5628 4974 1 1 2673 1 9471 6179 5522 4344 1 4018 10573 6458 6254 1 4984 6245 4539 1 5831 6766 7097 4872 4988 1 7242 7270 5593 6811 7023 6538 1 6385 7095 7258 1 1 12607 4239 4375 4352 3151 4481 10665 1 4502 3906 1 9936 8424 5731 4486 3903 3877 3626 3946 1 2637 3689 4029 4299 4013 4572 12751 8155 688.4886 *688.6926* 688.6926@7.6079006 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 688.6926 *688.9845* 688.9845@4.8348703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 688.9845 *688.988* C25 H11 N3 O21 6898 5503 9090 7123 9697 9978 10481 1 2585 5045 6080 3613 6215 6244 1812 7268 8753 5742 5906 5513 9989 1860 6015 5929 8730 5542 6238 9756 8471 8742 2988 9636 1 6249 9069 6432 9229 7045 6249 8980 3589 5656 3426 3090 10900 11051 11029 7324 7224 11418 6953 7661 7792 3475 6913 6398 10962 7541 6867 6846 6664 1815 6814 5352 5168 1632 1358 4696 1 7404 4587 4168 4034 6791 4310 4389 4254 4602 4380 4586 4648 4744 4224 4682 4784 4699 3855 4982 5829 1860 688.988 *688.9892* C25 H11 N3 O21 + 4.8295274 3551 1 1 3077 1 1 1 9469 7825 4581 3533 1 3214 3397 8695 3014 1 2752 3373 3196 1 6948 3528 2556 1 3151 3088 1 1 1 1 1 8704 2822 1 3068 1 1627 1 1 6359 3169 5627 6361 1 1 1 3760 3290 1 4026 1 3494 7293 1 3822 1 4031 3728 3910 1 2803 1 1445 1632 5013 1 2370 7054 1 2394 2595 2275 1 2377 2436 2251 2177 2465 1937 2621 1987 1 2084 2007 2080 2518 2111 1538 5010 688.9892 *689.4486* 689.4486@1.0421752 1 1 1 1 1 2674 1 1 1513 1688 1481 2731 1 1 1 10830 1 4035 1 6153 1 1993 1692 1 1 1 2203 1 1 1 1 1 7025 7574 3893 4006 1 5285 5732 1 1 9052 1798 1 1 1 5436 1 1 1 8561 1 1 1 1 1 1 1 1 4516 1 1 1 1 1 1 1 4231 6673 1 6315 1 4469 1 1 1822 1 7972 3347 3258 1 1 11437 1 1 1 1 3555 6735 6645 689.4486 *689.4821* 689.4821@4.9442744 1 1 2478 1859 1 1 1735 2795 1 1 1 1 2225 1 2913 2444 1 3370 1 1 2608 2805 2017 1 1 1 1 2688 2628 1 1703 1 2446 1 1833 1789 2577 1 2565 1 1 1 2986 3287 1 1 1 1 1 1 1 2224 2120 1 1 1 1751 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 1 689.4821 *689.4927* 689.4927@4.8002315 4489 1 1 4513 1 1 1 1 1722 1 1 1 1 3702 1 1 4081 1 1 1 1 1 1 1 1 1 1571 1 1163 4085 1 1 1 1 1 3977 1 1 1 1 1 1 3649 1501 1 1 1 1 4702 4849 1 1 1 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 2590 1 1 1 1 1 1 1 689.4927 *689.9829* 689.9829@4.956994 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1607 1 1 1548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 689.9829 *690.2292* 690.2292@10.910764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.2292 *690.4239* 690.4239@1.0323215 1 1178 1890 1629 1 1888 1 1825 1738 1553 1 1 3352 3476 1 1 1 1 1 1 1717 2083 1 2386 1705 1594 2250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1533 1237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.4239 *690.4385* 690.4385@1.0355927 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 1882 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.4385 *690.5113* 690.5113@1.0789185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1110 1 1 1 1 1 1 1 1 1 1 1 1758 1432 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 1 690.5113 *690.5186* 690.5186@1.0814613 1 1 1 1 1 1066 1 1 1 1 1 1 1 1 1 1342 1 1276 1 1 1 1 1 1 1 1 1 1 1923 1618 1 1 1 1 1594 1172 1 1 1322 1436 1 1 1 1 1 1 1 1 1619 1334 3027 3577 1 1 1 1 1 1 1632 1520 1 1 1 1 1 1 1 1 1 1 1667 1786 1 1 1 1 1 1 1 1 1 1 2292 2250 1 1 1 1 1 1 690.5186 *691.4523* 691.4523@4.8638077 1 1 3532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1311 1 1 1 1 1 1718 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 1 1 1 1 1 1 1 1 1 1 1 1 2659 2564 1147 1524 1 1 1 1 1948 1310 1 1 1 1 1 1 1 1 1 1 1 1 691.4523 *691.4658* 691.4658@1.2102911 1 1 3872 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 1 1 1 1 1 1699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691.4658 *691.476* 691.476@1.1999235 1 1 1 1 1 1 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 1283 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691.476 *691.4855* C41 H73 N O S3 1 1 51852 51042 6414 6230 2632 2480 1 1 1 1 5428 5201 3418 3563 3057 3160 5608 5388 2599 1 1 2161 12472 12401 1980 1940 3145 3335 34627 35891 4229 3835 1 1 1 1 2398 2183 6326 6731 1 1 1417 25877 3198 2444 3795 3501 4333 4209 6038 6188 3453 3275 1 1 1951 1 6997 6830 6031 6297 5143 4637 2144 2487 35606 37328 16259 15790 1 1 1 1 24091 24657 4216 3772 3831 3963 4542 4610 1 1 1 1671 1 2110 691.4855 *691.4855* 691.4855@1.8971567 1 1 11575 9986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7688 7317 1 1 1 1 1 1 1 1 1 1 1 1 4773 5225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7230 7621 1 1 1 1 1 1 3458 3429 1 1 1 1 1 1 1 1 1 1 1 1 691.4855 *691.4856* 691.4856@1.3154691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 691.4856 *692.1138* 692.1138@6.449459 1 1 22712 22808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8325 8317 1 1 1 1 6223 6776 1 1 1 1 1 1 1 1 1 1 1 1 5143 4913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7207 7193 6820 6850 1 1 1 1 3911 4021 1 1 1 1 1 1 1 1 1 1 1 1 692.1138 *692.4482* 692.4482@6.4502296 1 1 20893 20989 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7361 7568 1 1 1 1 5442 5724 1 1 1 1 1438 1441 1 1 1 1 1 1 4312 4533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5898 7033 6160 6222 1 1 1 1 3543 3487 1 1 1 1 1 1 1 1 1 1 1 1 692.4482 *692.4491* 692.4491@1.0562114 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.4491 *692.4503* 692.4503@4.9102035 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 692.4503 *692.4551* 692.4551@4.955061 1 1 9164 9522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3108 2929 1 1 1 1 3356 3063 1 1 1 1 1 1 1 1 1 1 1 1 2598 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3569 3652 2954 2329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.4551 *692.4598* 692.4598@1.1641752 1 1 1 1 1 1 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 1005 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1878 1575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.4598 *692.5267* 692.5267@1.1919369 1 1 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 2188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.5267 *692.7829* 692.7829@6.4492464 1 1 12660 13006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4343 4557 1 1 1 1 3874 3504 1 1 1 1 1 1 1 1 1 1 1 1 2643 2843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3894 4031 3782 3337 1 1 1 1 2421 2152 1 1 1 1 1 1 1 1 1 1 1 1 692.7829 *692.9591* 692.9591@4.9551463 1 1 6412 5836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1853 1698 1 1 1 1 1643 1661 1 1 1 1 1 1 1 1 1 1 1 1 1385 1461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2029 1960 1646 1823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 692.9591 *693.0253* 693.0253@1.1894382 1 1 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 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 693.0253 *693.2325* 693.2325@2.047498 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1978 2064 1 1 1 1 1 1 1 1 1 1 1 1122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 693.2325 *694.2293* C35 H22 N18 2312 2295 1532 1547 1 1 1 1 2557 2870 1 1001 2132 1910 1 5206 1343 1336 1381 1253 1061 1 1369 1684 1238 1666 2396 2843 1 1 1077 1022 1 1 1 1 1490 1477 1774 1690 1 1 1 1 1199 1143 1 1 1374 1264 1 1 1341 1045 2465 2244 1 1 1 1 1 2357 1 1 1170 1 1014 1 1807 1797 3951 1 1 1 1 1 1354 1545 1 1 2026 1835 1 1 1 1 1070 1 1 1 694.2293 *694.3595* 694.3595@1.0176758 3307 1 1 1 1 1 2713 3108 1 1 1 1 1 1 1 1 1 1150 1 1 1 1124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.3595 *694.3637* 694.3637@1.0281115 1 2439 1 1 3457 3211 1 1 2856 2969 1702 1 3497 3062 1 1 3599 1 3950 3880 3975 1430 2751 3678 1 2648 3339 2392 4235 4011 1 1 1 1 2839 2042 3623 3426 4346 1 1 1 3162 4306 1948 2931 3111 1 2204 3569 3834 1 1 1 1 2827 1 1 2603 2198 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 1 1 1 694.3637 *694.3802* 694.3802@1.0267814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.3802 *694.3978* 694.3978@1.0391366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4541 4053 1 2432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3974 4038 1 1 1 1 1 4229 3861 3779 1 1 1 1 1 1 1 1 1 3841 4595 4399 2655 1 1 1 1 1 6836 1 1 1 1 1 1 1 1841 2068 2173 1794 1 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2782 3185 694.3978 *694.4007* 694.4007@1.0443641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6757 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1859 2031 1 1 2727 1 4060 1 1 1 1 1 1 1 694.4007 *695.3739* 695.3739@1.0513502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.3739 *695.4116* 695.4116@4.641288 1 1 6015 5576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 695.4116 *695.4345* C33 H69 N5 O2 S4 1 1 6494 6855 19239 3816 2578 2426 2754 2948 2311 13757 4214 3191 1 1 11681 11221 1742 1 1 1 1 1 3541 3842 1910 1975 1 1334 4884 4258 1 1 1 1 2246 3341 2366 2202 2230 1 4129 4281 5479 6036 3021 2652 2041 1238 1 1 15610 2832 1 1 1 1 10606 1 2292 2229 1514 1574 2590 1925 1 1 40174 5641 4219 4758 1 1 1 1 3101 3685 3799 3625 1 1 1 1 1 1 1 1 1 1 695.4345 *695.4346* C26 H53 N19 O2 S 5109 4867 45407 44952 3442 20128 14813 15067 14313 14476 13452 2177 22727 22802 4501 5397 1422 1225 13962 13910 7034 6350 5711 4990 26111 25713 12062 11419 10211 9954 36282 36776 3267 3155 8050 7957 16220 16317 12413 11982 12245 11819 21649 22457 36178 37109 16891 16778 11147 10635 4269 4375 3494 16920 6166 6051 10250 9933 3110 10090 18084 17611 12701 12309 17315 17956 2883 3249 5823 38690 31162 30492 6736 6447 5083 5122 27315 26803 26605 27236 6411 5904 4659 4821 9448 9240 6767 6946 3517 3165 695.4346 *695.9138* 695.9138@4.637986 1 1 3191 3480 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 695.9138 *696.3139* 696.3139@1.0991977 1 1 3309 1 1 1 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 2505 1 1 1 1 1 1 1 1 1 1 1 1 1036 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3600 3624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.3139 *696.3846* 696.3846@3.478882 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 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 2943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 696.3846 *696.3884* 696.3884@3.4233117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1963 1 1 1 1 1 2390 3753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1352 1400 3448 3302 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4724 2422 1 1 1 1 1 1 15086 13663 2190 2502 1 1 1 1 1925 2576 1 1 1 1 1 1 1 1 1 1 1 1 696.3884 *697.1231* 697.1231@6.411084 1 1 1 1143 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.1231 *697.2466* 697.2466@0.97074336 1 1 1 1 1 1 1 1 1 45456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.2466 *697.249* C46 H36 Cl N3 O2 43534 45603 59802 58740 52336 51591 48664 48635 59936 14965 37135 36194 64103 62220 55965 56670 34488 33865 44659 46082 51211 50209 46092 47482 44162 43758 45687 48427 39057 37360 41408 40266 35404 35660 39092 39328 33504 34470 37622 38338 33912 33262 40504 42731 34198 33809 36196 36132 31645 33220 27825 27717 28208 28497 27081 26357 29087 27644 35164 36818 19002 19159 22993 19961 19795 20630 12678 13051 24631 23927 10992 10766 19484 19646 23180 21396 14684 14531 16220 16158 7947 16507 16434 16726 19382 19291 18240 18556 23184 23856 697.249 *697.3516* 697.3516@1.2163368 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 697.3516 *697.3921* 697.3921@3.4931467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 697.3921 *697.4937* C39 H71 N O7 S 10585 11337 12601 1 1 1 1 1 9664 1 8678 1 1 1 1 1 1 1 1 1 13642 12934 5232 1 1 1 6696 5902 1 1 1 1 22798 1 1 1 7899 8220 1 15441 1 1 1 1 8804 1 10034 11166 1 21400 24596 25243 1 1 9280 8484 5361 4935 13455 13559 16486 1 7980 8573 1 13665 8277 7715 10509 10931 9650 9912 7090 7741 4162 4044 7792 7932 5564 4791 5517 4993 12517 12180 2667 2588 7321 6777 1 10551 697.4937 *698.2488* 698.2488@0.9879947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10421 1 1 1 1 1 1 1 1 1 698.2488 *698.3984* 698.3984@3.3751743 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 698.3984 *698.4553* 698.4553@4.971564 1 1 1865 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 698.4553 *698.9535* 698.9535@4.973063 1 1 1682 1634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 698.9535 *699.2884* 699.2884@1.018892 1 1 1 4223 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.2884 *699.2996* C32 H45 N9 O5 S2 6119 3775 3789 1 5734 4681 6125 5714 4549 4853 4176 1 6551 7438 5287 6808 5962 6913 6162 4908 5757 6175 6201 4927 3325 5093 4044 1 6179 7313 5522 5095 4242 1775 4446 5645 4539 3055 3422 5600 5363 6258 5535 5635 5919 5853 5218 5414 5607 5264 5292 4988 5699 4835 1687 3872 2929 3964 2818 2688 7624 7522 1 4634 5469 5531 6144 6285 5589 3866 5096 5145 5756 5156 4896 6042 6450 6821 5834 5473 5291 4398 4453 5125 4711 5167 6514 4828 5966 5799 699.2996 *699.3089* 699.3089@1.0317719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.3089 *699.4619* C40 H65 N3 O5 S 1 1 1397 393821 21984 22306 4791 5034 1 1 1 1 22091 22245 1 1 3965 4269 9948 9830 1 1 1 1 5903 128514 1 1 1 1 144836 7968 1 1 1546 1438 9805 1403 1754 1379 5356 6057 10276 10165 115250 5576 6180 6873 1096 1383 1 1 12027 12165 1 1 1 1 1 1 6998 6826 12351 11971 15778 15180 1 1 9215 6987 7403 5060 1 1 1 1078 4461 93613 4768 4965 1 1 1 1 1 1 1 1 1 1 699.4619 *699.4653* 699.4653@4.899483 1 1 389098 14934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 129850 6169 1 1 1 1 7836 141874 1 1 1 1 1 9541 1 1 1 1 1 1 6123 113201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 167811 170130 127192 128907 1 1 1 1 93663 4461 1 1 1 1 1 1 1 1 1 1 1 1 699.4653 *699.5304* 699.5304@0.998727 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.5304 *699.5471* 699.5471@1.2301985 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2044 2413 2703 2212 1798 1 2860 2964 1 1297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1178 1368 1 1307 1366 1394 1 1490 1257 1032 1 1 1 1 699.5471 *699.6997* 699.6997@7.696154 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.6997 *699.7688* 699.7688@4.926036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.7688 *699.9366* 699.9366@3.9207807 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.9366 *699.9381* 699.9381@3.962205 1 1 1 1 1 1 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 2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6725 6780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.9381 *699.9645* C28 H12 O20 S 1 1 251346 258729 14938 13741 3033 2982 1 1 1 1 13906 13757 1 1 2385 2309 5985 5840 1 1 1 1 3331 82649 1 1 1 1 91236 88661 1 1 1 1 5134 6046 1 1 3181 3417 6484 7019 3466 74345 4299 3919 1 1 1 1 7248 8014 1 1 1 1 1 1 4009 4277 7072 7747 10593 9237 1 1 107999 111001 4203 4563 1 1 1 1 2302 59755 3051 2503 1 1 1 1 1 1 1 1 1 1 699.9645 *699.9664* 699.9664@4.919145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 80877 3475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 73284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 82188 83979 1 1 1 1 58990 1 1 1 1 1 1 1 1 1 1 1 1 1 699.9664 *700.1886* 700.1886@1.0695202 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.1886 *700.1909* 700.1909@1.2046788 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1970 1523 1144 1 1 1055 1 1467 1 1149 1194 1 1039 1 1 1348 1469 1 1 1071 1 1113 1120 1 1286 1061 1 700.1909 *700.2499* C43 H40 O7 S 7595 8432 11860 10649 8978 9267 8543 8735 11721 6580 6458 7037 10502 10652 9839 9976 5450 6047 7409 7746 9160 9749 7270 7763 7649 7735 4849 8170 7245 6397 7441 3794 6172 5109 6804 6615 5332 6016 7795 7399 6130 5340 4548 8921 6731 5063 6268 3788 6011 6524 4292 3396 4480 4428 4242 3758 4420 3765 7547 7148 2573 2883 3737 3019 2807 3005 1472 1742 4199 2685 1681 1729 2488 2152 3763 3400 1255 1338 1359 1456 1 1787 1157 2172 3108 3422 3090 1286 3817 4181 700.2499 *700.2648* 700.2648@4.9255004 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.2648 *700.2754* 700.2754@4.932804 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 700.2754 *700.29* 700.29@1.020859 1 1 1 1382 1 1 1 1 1 1 1 1595 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1083 1 1 1 1 1 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2117 1 1 700.29 *700.3928* 700.3928@5.0860906 1 1 1447 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 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 1 700.3928 *700.4439* 700.4439@3.953746 1 1 1 1 1 1 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 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 1 1 4122 3751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.4439 *700.5243* C39 H68 N6 O5 1729 1055 1196 1 1931 1120 1350 1212 1126 1 1 1 1101 1 1188 1371 1 1212 1 1 1 1 1 1 1877 2460 1 1485 1023 1205 1184 1483 1159 1041 1923 1315 1 1 1220 1 1 1054 1729 1383 1 1 1 2080 1342 1363 2189 1491 1295 2048 1712 1993 1 1342 1549 1377 1371 1269 1364 1148 1638 1550 1728 1813 1374 1359 1644 1767 1464 1850 1292 1367 1 2276 2422 1689 1497 1923 1970 1741 2108 1961 1717 1736 1252 1526 700.5243 *700.8545* 700.8545@1.2055677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.8545 *700.9647* 700.9647@4.849434 1 1 1 2178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 700.9647 *701.1824* 701.1824@4.9224973 1 1 1 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.1824 *701.2179* 701.2179@0.9994957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.2179 *701.2244* 701.2244@0.9930052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 5913 1 1 1 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 2006 2980 2314 1 1 1 1 1 1 1 1 1 1 701.2244 *701.2382* 701.2382@0.98213625 1 1 1 1 1 1 1 1 1 6756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3403 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 701.2382 *701.3493* 701.3493@3.3857496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.3493 *701.5263* 701.5263@1.5055496 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2294 1 1 1 1 1 1 701.5263 *701.5284* 701.5284@1.659261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.5284 *701.6811* 701.6811@4.936575 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 701.6811 *701.8671* C21 H6 N2 O20 S3 25642 25252 25473 24620 24990 25091 23576 23958 24900 25026 24522 24917 24593 24246 25126 25163 23427 23867 24675 24799 24773 25079 25166 24936 24251 23413 23924 23901 22790 22720 24907 24356 25356 25670 23474 23438 23488 24140 24642 25524 26065 25746 23191 22778 24702 24318 23923 23676 25481 26099 34935 34940 30421 29404 28585 28117 26255 27150 26223 25877 33677 33500 25474 25122 30230 30236 30197 30215 24886 24644 38579 39353 24739 24421 27999 28171 35180 35922 35042 36125 38434 37249 34489 36139 36577 36646 35164 34302 28986 28982 701.8671 *701.9461* 701.9461@4.9277925 1 1 15851 15179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5375 5344 1 1 1 1 6205 5270 1 1 1 1 1 1 1 1 1 1 1 1 4691 4674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6558 7100 5221 5219 1 1 1 1 3585 4153 1 1 1 1 1 1 1 1 1 1 1 1 701.9461 *702.2208* 702.2208@0.99306405 1 1 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.2208 *702.3775* 702.3775@5.49119 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 1168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1125 1 1 1340 1163 1 1 1 1 1355 1208 1 1 1567 1271 1324 1366 1 1264 1 1 1 1 702.3775 *702.4491* 702.4491@4.925318 1 1 8705 9561 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 2952 3692 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 1 1 1 3912 3918 2594 3118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.4491 *702.455* 702.455@4.9322305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2973 1 1 1 1 1 1 1 1 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 2289 2265 1 1 1 1 1 1 1 1 1 1 1 1 702.455 *702.5013* C34 H62 N12 O4 8738 6524 17250 6308 9191 9009 9540 14941 16684 8006 8459 14925 6109 10790 18897 20758 21878 17819 14292 8384 7184 7864 15548 5771 5786 5800 4575 17357 1643 14631 5381 6396 4805 6312 7845 14548 14682 7235 1 1 1 14617 5321 9970 9763 18337 17269 9713 9280 1 10620 10211 17834 9183 9554 9800 11680 8505 10339 9711 5276 5983 12479 5382 6538 5809 15271 10124 15896 4700 6083 5591 8799 13526 15611 4995 5713 6090 5543 5568 6121 4916 1 5466 5281 5623 10418 6704 4765 4731 702.5013 *702.5035* C35 H58 N16 15333 16095 1 10491 15227 15789 15326 3806 1 15077 14418 8406 10787 1 6417 4189 1 4767 8950 15040 17190 15472 8175 17356 16564 8445 18552 5799 10845 8048 15282 17000 17236 15624 14302 8048 8743 15893 21097 22472 16974 7417 10632 15394 18300 10508 8879 18100 18288 27348 17362 16116 9946 18789 18376 17638 19122 20033 18023 17862 10978 10533 4255 9786 9330 10646 1 6390 1 11835 10345 11142 3992 1 1 10553 9465 10494 10489 10750 10078 11107 11523 11621 10197 10347 5041 9970 12662 12618 702.5035 *702.5055* 702.5055@4.838215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1 1 1 8326 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.5055 *702.565* C41 H74 N4 O5 1 1 1 1 1142 1322 2342 2540 1 1 1 1 1 1 1 1 1 1 1492 1742 1998 2182 1 1 1 1 1 1 2109 2315 2296 2361 2183 1714 1903 2179 2278 2236 1894 1766 2490 2260 1208 1 1316 1334 1 1841 1 1 2562 2679 2040 2028 1 1 1 1 3790 4087 1746 1691 1095 1895 3570 3071 1 1 2207 2162 2834 2602 1 1 1 1 1 1 1 1 1 1 1979 1493 1 1 3443 3453 2093 2208 702.565 *702.9976* 702.9976@4.8641267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 702.9976 *703.0031* C26 H13 N3 O21 9125 9460 9269 14566 8881 9776 9703 3109 9442 9224 9723 9561 8732 9403 3842 12127 14800 9279 9513 9109 9145 8338 9101 10256 8690 8770 9957 11916 1 8855 10346 8366 13492 7916 10461 9490 8691 9019 1 1 7194 8575 9040 9256 1 16590 10686 11294 11746 1 11183 11455 11451 10966 11386 10936 13318 12198 12404 11657 5282 5837 9390 6360 6749 6997 6431 5627 5410 6004 6164 6586 5705 5306 5294 5838 6441 6309 6490 6807 6286 6096 6364 6387 6367 6471 6729 6636 6553 7146 703.0031 *703.0053* C26 H13 N3 O21 + 4.7993593 5712 5088 4578 1 4896 5011 6221 1 5946 5281 5201 5134 5814 4791 10341 3994 1 5387 5115 5794 4886 4740 4512 4733 1 5568 1 2412 4876 1 4210 4768 1 5718 3044 4870 4887 4425 12407 12814 5479 4396 5173 5037 6151 1 6834 1 6561 15658 5712 5890 6059 5578 5853 6410 6513 4587 5397 6014 4090 3482 1 3012 1 3326 3521 3321 2268 3559 3178 2600 3322 3366 3159 2558 2916 3591 3268 2955 2866 2915 2912 3275 1 3094 3172 2939 3656 3262 703.0053 *703.4752* C51 H61 N O 3397 3426 2226 2783 2460 2160 2303 2670 2435 2342 4408 4370 1550 1505 1874 2160 3810 4143 2383 2875 5712 5204 2800 3111 2682 2534 7701 6378 2412 4091 3430 3483 3701 4144 3571 3559 4146 4597 3576 3552 3553 3828 4399 3950 3682 3918 3726 4714 4903 4846 11984 12500 6365 5774 17741 19197 6457 7020 15765 17575 4226 4891 6117 7663 5719 6576 8235 8067 5154 4927 11224 11479 6386 5545 10151 9513 9328 9344 13202 12284 18320 19334 17147 18206 12488 11810 8033 8190 4651 4792 703.4752 *703.5036* 703.5036@4.7968493 1 1 1 1 1 1 1 2626 1 1 1 1 1 1 1 1 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 1 703.5036 *703.5048* 703.5048@4.746801 1 1 1 5939 1 1 1 3764 1 1 1 1 6369 5877 1 1 1848 1 1 1 1 1 1 1 1 1 1 1 5688 1 1 1 1 1 1 1 1 1 1 1 4221 1 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 1 1 1 1 1 4283 1 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 703.5048 *704.4216* 704.4216@4.935542 1 1 3128 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.4216 *704.487* 704.487@0.98963356 1 1 5914 5948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.487 *704.9233* 704.9233@4.93254 1 1 1162 1173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 704.9233 *705.444* 705.444@1.0489739 1 1 1 1 1 1895 1 1 1371 1 1 1 2818 1 1 6284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12392 10287 1 3358 1881 1 3265 1 1 1 1 4576 1 1344 1 1 2187 1 2199 1 1 4852 1 1 3323 3693 1 1 2112 1 1 1 1 5567 1 1 1 1 3686 3836 1 1 1 1816 1 1 4785 1 3156 1875 1577 4036 1 7730 1 1 1 2200 5765 1 705.444 *705.4692* 705.4692@1.2066066 1 1 5794 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 2418 4927 1 1 1 1 1 1 1 1 1 1 1 1 4219 4728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4493 4590 1 1 1 1 1 1 4112 5335 1 1 1 1 1 1 1 1 1 1 1 1 705.4692 *706.4726* 706.4726@4.9042673 1 1 23544 24646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7071 7631 1 1 1 1 9254 9316 1 1 1 1 1 1 1 1 1 1 1 1 7248 7921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11600 10905 7603 7815 1 1 1 1 5828 5882 1 1 1 1 1 1 1 1 1 1 1 1 706.4726 *706.7886* 706.7886@6.530704 1 1 15143 14100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5209 5368 1 1 1 1 3896 4035 1 1 1 1 1 1 1 1 1 1 1 1 3021 3377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5101 4916 4316 4171 1 1 1 1 2141 2515 1 1 1 1 1 1 1 1 1 1 1 1 706.7886 *706.9748* 706.9748@4.903553 1 1 14725 15057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3882 3495 1 1 1 1 6171 5831 1 1 1 1 1 1 1 1 1 1 1 1 3897 4516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6715 7020 4397 4983 1 1 1 1 3288 3541 1 1 1 1 1 1 1 1 1 1 1 1 706.9748 *707.1232* 707.1232@6.5315604 1 1 13852 14275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4636 4244 1 1 1 1 3914 3823 1 1 1 1 1 1 1 1 1 1 1 1 2987 3268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4745 4424 4431 3454 1 1 1 1 2297 2250 1 1 1 1 1 1 1 1 1 1 1 1 707.1232 *707.1684* 707.1684@1.941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 707.1684 *707.4593* 707.4593@6.532196 1 1 8879 9737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3173 3353 1 1 1 1 2449 2496 1 1 1 1 1 1 1 1 1 1 1 1 2730 2426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3004 3028 2698 2470 1 1 1 1 1 1723 1 1 1 1 1 1 1 1 1 1 1 1 707.4593 *707.4644* 707.4644@1.0501559 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 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 1906 2057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.4644 *707.4658* 707.4658@1.0614773 1 1 1 4029 2063 1 1 1 1 1 1667 1 2608 2645 1 1 2511 2230 1 2259 2726 1 1 1 2350 1 1 1 3060 1 2110 1 2009 2096 1 1748 1 1 2587 2188 1 4643 1 1 1 1 1 1 1 1 1 4065 2803 1 2608 2711 1 1 3016 1 1 1 1 4077 1 1 1 1 1 1 1 2030 2147 1 1 1 1 1656 1 1579 1 1 1 1 1 1 1 1407 1 1 707.4658 *707.4808* 707.4808@2.1366208 1 1 2805 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.4808 *707.4812* 707.4812@1.2212728 1 1 1 1 2498 1 1 1 1 1 1 1 2630 1 1 1 1923 1268 1 1 1 1 1 1 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2855 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 1 1 1 2027 2054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.4812 *707.4817* C41 H73 N O2 S3 8700 4388 18294 21387 5482 7802 7104 1 6570 1 7454 1 4332 4894 4950 1640 4236 8174 6189 1 6403 1 6959 3317 11078 8651 1 1 1 6107 9361 14337 1 3872 1901 2083 1 5851 3399 1 7899 9131 1495 1 2722 11625 7013 9201 1 2305 11425 4264 9891 10386 1965 6786 8576 9949 11734 4410 6096 6001 6006 3312 4483 5288 4164 4278 8662 9494 10747 11741 1 2565 1 3699 13090 13140 7539 7400 6031 5725 4408 7447 4275 4384 4702 4216 5452 5521 707.4817 *707.4818* 707.4818@1.5355626 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 5633 1 1 1 2689 1 1 1 3047 1 1 1 1 1 1 1918 1 6872 1 1 1 1 1 1 1 4028 1 1 1 3758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.4818 *707.4832* 707.4832@2.2324674 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.4832 *707.4957* 707.4957@1.0041765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 707.4957 *708.4397* C31 H56 N12 O7 1 1 15180 15249 3770 3560 1791 1609 1726 1782 2983 3277 2721 3115 1 1 1 1 1533 1 1383 1294 1 1 8917 8255 1417 1 1530 1 8264 8816 1 1 1 1 4519 4725 1605 1604 1460 1574 4344 4817 9670 9297 2270 2849 1324 1 1 1 2581 2961 1326 1572 1605 1869 1505 1245 1672 1414 2227 2293 2620 2847 1 1 10595 10110 7019 6888 1 1 1 1 5542 5706 1 1679 1019 1 1 1 1965 1532 1 1 1 1 708.4397 *708.4686* 708.4686@1.0473486 1 1 1 1 1 1 1 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 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1130 1158 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.4686 *708.4713* 708.4713@1.203138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1862 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.4713 *708.4837* 708.4837@1.5341889 1 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 1 1 1 1 1 1 1 1485 1 1 1 1 1 1 1 4310 2023 1 1 1 1 1 1 1 1 1 1 1 1 1 3575 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 1 708.4837 *708.486* 708.486@1.2239714 1 1 1305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.486 *708.487* 708.487@1.5132347 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.487 *708.497* 708.497@0.9861778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.497 *708.8817* 708.8817@5.4910636 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1004 1206 1 1 1 1 1 1 1 1 1 1 1 1 1 1012 1 1 1 1 708.8817 *708.9173* 708.9173@5.90905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 708.9173 *708.9415* C23 H7 N3 O24 1 1 9437 9117 1858 1400 1095 1 1 1 1778 2108 1644 2253 1 1 1 1 1158 1137 1 1 1 1 5292 5273 1 1 1 1 5079 4931 1 1 1 1 2052 2452 1 1 1 1 2392 2688 5373 5890 1433 1390 1 1 1 1 1578 1291 1000 1 1 1388 1 1 1 1 1341 1298 1426 1452 1 1 6158 6212 3491 3887 1 1 1 1 3345 3283 1 1 1 1 1 1 1 1 1 1 1 1 708.9415 *709.4091* 709.4091@6.6524973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.4091 *709.9324* 709.9324@4.9375753 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 709.9324 *710.3885* 710.3885@1.0568691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 710.3885 *710.4042* 710.4042@1.043257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4124 1997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1377 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 1 710.4042 *710.5012* C31 H62 N14 O5 7127 5057 12186 12492 11251 11551 6249 8992 12374 11444 7664 10676 11810 11786 12771 13256 12329 10433 7653 7864 10788 10365 7354 7945 8123 8195 11788 9016 11238 11550 11958 10684 5504 11682 11445 9982 11134 7832 10362 8219 10493 11582 8772 7307 10779 10066 11995 7052 9467 9667 11970 12163 7954 11839 12595 9474 13443 6601 9122 8435 7359 5996 7594 8492 6480 8294 2799 5312 8433 8507 7463 8248 7712 8237 8014 8036 5272 6168 7520 5657 6213 6300 8128 6040 5322 5866 6313 7988 9438 8260 710.5012 *710.5029* 710.5029@4.923348 4507 3686 1 1 1 1 3320 3362 1 1 3913 1 1 1 1 1 1 1 4030 1 1 1 2701 1 2849 3014 1 2970 1 1 1 1 1 1 1 1 1 2316 1 1 1 1 2513 4582 3355 3193 1 3709 4749 3950 1 1 5577 1 1 3368 1 1 4710 4933 1 2036 1 1 2134 1 4142 3637 1 1 1 1 1 1 1 1 2527 2832 1 2008 2247 2815 1 2453 2395 2741 2220 1 1 1 710.5029 *710.7024* 710.7024@7.7575216 1 1 1100 1956 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 710.7024 *711.003* C22 H17 N O26 4074 7240 6996 7144 6586 7625 6288 7243 6483 4604 4805 7432 6929 6702 8035 8450 7192 7238 4841 6048 6412 1922 4049 4699 4511 4894 6538 6725 6825 6287 6661 3981 6894 6376 7064 6578 6231 6069 6286 6219 5996 6576 3839 6112 5402 8605 7288 7413 7935 7521 5212 7336 5227 8592 8247 5777 7870 8628 8453 7343 3252 3786 4908 4780 5083 4761 4732 4631 3743 4649 5277 3352 4976 4771 4703 2873 4615 3418 4839 3283 4834 5265 4610 4611 2900 3257 4702 4442 5284 5444 711.003 *711.0059* 711.0059@4.921711 2132 1 1 1 1 1 1 1 1 1949 2128 1 1 1 1 1 1 1 2029 1 1 4954 1 1869 1 1946 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2835 1 1 1 1 1 1 1 2465 1 1 2545 1 1 1 1 1371 1433 1 1 1 1 1 1 1 1 1 1 1 1 1 1699 1 1362 1 1726 1 1 1 1 1 1776 1 1 1 1 711.0059 *711.3688* 711.3688@1.0622967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 711.3688 *711.3818* 711.3818@1.056819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 711.3818 *711.4899* 711.4899@5.0322895 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 1303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 711.4899 *711.5052* 711.5052@4.890512 1 3282 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 1025 3099 1 1 2087 1 1 1 1 1 1 1 1 1 1 1257 3098 1 1 1282 1193 1 1 1 1 1 3398 1 1 1 1 1 1 1 1 1670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 711.5052 *712.6031* 712.6031@1.0763953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1006 1037 1 1 1 1 1115 1 1 1 1267 1 1 1 1 1 1 1 1 1 1194 1077 2192 2171 1 1 1117 1150 1 1 1500 1585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1022 1 1 1 1 1 1 712.6031 *713.3983* 713.3983@1.1348895 1 1 2777 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 1850 1973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2270 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.3983 *713.5585* 713.5585@1.201773 2516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 713.5585 *713.5959* C46 H83 N S2 1 1326 2428 2300 5788 5929 3559 3838 2784 2530 4200 4224 2368 2574 5784 4993 5429 6303 2605 2867 4215 3820 2256 2313 3256 3316 1245 1 7641 7910 1397 1599 3655 3432 7309 5994 1944 1903 7289 7923 4878 4865 2951 3296 2274 1964 1019 1 7939 7849 15519 14917 5031 5111 7761 8413 1 1 10663 10955 1130 1 3141 2891 3283 3308 1 1 2716 3171 6466 6021 1305 1477 1 1 1 1121 1934 1455 1426 1609 8077 8692 1 1 3994 3771 2106 1914 713.5959 *714.4698* 714.4698@5.043872 1 1 8862 9272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3601 3313 1 1 1 1 2843 2932 1 1 1 1 1 1 1 1 1 1 1 1 2153 2450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3578 3373 2829 2950 1 1 1 1 1483 1706 1 1 1 1 1 1 1 1 1 1 1 1 714.4698 *714.5075* 714.5075@0.98011386 2632 2383 1 1425 1 1 1865 1 1 1 1 1 1 1 1347 1 1 1 1 1959 1503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1296 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 1 1 1 1 1 1474 1 1 1 1 1 1 1 1 714.5075 *714.9699* 714.9699@5.0425534 1 1 6315 6549 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1909 1 1 1 1 1551 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2218 1890 1899 1558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 714.9699 *715.8797* 715.8797@5.4888406 1 2893 1 2341 1 2406 2311 2428 2502 2519 1 2703 1 2649 1 1 1 2266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 715.8797 *715.8852* C29 O23 2204 1 2238 1 2542 1 1 1 1 1 2589 1 2371 1 2480 2608 1968 1 2566 2326 2358 2447 2596 2445 2190 2232 2107 2720 2189 2127 2376 2489 2619 2510 2348 2270 2311 2467 2454 2640 2578 2332 2571 2510 2718 2545 2261 2016 2377 2533 4629 4215 3001 3451 3280 3045 2701 2756 2334 2825 3808 3932 2715 2714 3237 3574 3223 3664 2651 2419 4835 5519 2560 2570 3111 2829 4818 4836 4612 4078 5540 5086 4514 4358 5001 4576 4367 4630 3225 2875 715.8852 *717.4272* 717.4272@4.7719827 1 1 5708 5408 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.4272 *717.5587* 717.5587@1.0766752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.5587 *717.9279* 717.9279@4.772484 1 1 3007 2996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 717.9279 *718.5423* C40 H78 O8 S 4596 4568 3600 3270 4177 4041 3970 4119 3480 3564 5835 5558 3041 3387 2619 3250 4401 4561 3464 3378 2965 3322 4066 4011 4123 3715 3868 4645 4011 3287 3258 3786 4247 4106 4055 3446 4517 4120 4243 3959 3366 3595 3601 3103 3539 4129 3784 3304 3158 4279 3103 3642 4139 3894 5064 4752 5603 5133 3524 3593 3674 3001 3831 4470 4040 3824 4986 5204 4501 5549 4777 4246 3954 4038 2071 1792 2865 3346 3033 3300 3619 2795 3271 3918 2843 2854 3448 3182 2995 3021 718.5423 *718.5521* 1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol 1 1 1334 1643 3309 4097 2167 2419 2048 1856 2958 2955 1505 1598 3405 3244 4000 4032 1616 1271 2824 2697 1783 1943 2307 2299 1 1 4847 5271 1213 1358 2411 2578 5093 5063 1 1523 4767 4931 3019 3040 1902 2145 1761 1679 1 1 4581 4314 9203 9522 3160 3084 3733 3977 1 1 4649 4695 1 1 2283 1210 2138 2092 1 1 1992 1903 4384 4693 1 1158 1 1 1 1 1642 1 1 1 5336 5889 1 1 2577 2571 1875 1809 718.5521 *719.4827* 719.4827@1.644712 1 1 1 4938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 719.4827 *719.4912* 719.4912@1.2324674 1 1 5377 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 12777 12550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4389 4362 1 1 1 1 1 1 1 2328 1 1 1 1 1 1 1 1 1 1 1 1 719.4912 *719.4986* 719.4986@1.2018831 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9472 3489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3597 7205 1 1 1 1 1 1 1 1 1 1 1 1 719.4986 *719.5178* 719.5178@1.2045902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 2265 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 2500 2521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 719.5178 *719.5313* C35 H61 N17 1 1 1 1 1 1303 1 1 1 1 1000 1 1014 1 1 1546 1 1 1331 1 1 1 1 1015 1 1 1 1 1016 1 1 1 1 1318 1 1 1 1 1 1 1087 1222 1 1 1 1 1344 1 1691 1407 1254 1 1544 1064 1 1300 1041 1201 1325 1 1 1 2043 2683 2057 1588 1 1698 1 1 1 1 1414 1540 1621 1258 1 1 1982 1409 1752 1152 1828 1653 1345 1892 1664 1422 1088 1 719.5313 *719.5423* 719.5423@1.0755223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 719.5423 *719.8675* 719.8675@1.2042218 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 1542 1 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1020 1034 1111 1102 1053 1321 1069 1 1 1 1 1 1 1 1 1236 1886 1170 1274 1090 1 1302 1174 1334 1283 1325 1227 1482 1367 1156 1141 1463 1383 1128 1 1394 1108 1403 1349 1269 1102 1 1 719.8675 *719.8774* 719.8774@1.2063824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 719.8774 *720.2043* 720.2043@1.2060564 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.2043 *720.4679* 720.4679@5.061633 1 1 2340 2131 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 720.4679 *721.0131* 721.0131@2.9419928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.0131 *721.0142* 721.0142@0.91129637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3210 1 1 1 1 1 1 1 1 1 1 721.0142 *721.4477* 721.4477@1.0498574 1 1 1 1 1 1 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 2441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2514 1 1 1447 3139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.4477 *721.4654* 721.4654@6.6153007 1 1 9910 10706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3284 3060 1 1 1 1 2984 2710 1 1 1 1 1 1 1 1 1 1 1 1 2383 1970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3067 2603 2458 2670 1 1 1 1 1377 1682 1 1 1 1 1 1 1 1 1 1 1 1 721.4654 *721.4774* C23 H51 N27 O 1 1 17048 16789 15717 23898 5578 5364 1 1 1 1 21340 19968 1 1 4457 4342 9851 9671 1 1 1 1 142900 5365 1 1 1 1 143766 140477 1 1 1 1 12530 13222 1 1 5626 6327 10551 10885 115376 114030 6383 6149 1 1 1 1 12338 11838 1 1 1 1 1 1 7030 7222 11703 11492 15093 14830 1 1 170429 169409 133228 132885 1 1 1 1 89888 97543 4652 4535 1 1 1 1 1 1 1 1 1 1 721.4774 *721.4785* 721.4785@4.9697056 1 1 417235 418881 7681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6367 144145 1 1 1 1 6911 7313 1 1 1 1 1 1 1 1227 1 1 1 1 5389 5542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7561 7951 1 4429 1 1 1 1 5057 4109 1 1 1 1 1 1 1 1 1 1 1 1 721.4785 *721.4803* 721.4803@4.9299984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 721.4803 *721.4963* C42 H67 N5 O3 S 12827 10332 208026 206893 16949 26045 20071 20513 19465 18501 11035 16569 14666 13609 6597 32292 20694 16156 23360 11246 20836 22471 16208 18609 65649 53896 15189 11339 24798 17287 153266 145932 17905 31778 10711 13785 8731 15519 11107 9346 42743 40780 15843 18780 104471 102738 16334 21258 17116 7373 28848 26188 33450 36757 29774 30234 5291 5377 11365 21586 35787 40754 28307 35623 24460 31108 16416 12531 147263 147926 77398 78258 15383 10246 5755 8855 96046 95679 23774 23621 20086 15731 34701 29753 5246 4118 6077 15935 9099 12643 721.4963 *721.4964* 721.4964@2.1907427 1 1 1 1 1 1 1 1 2690 1 3530 1 1 1 5107 1 3334 1 8480 1 1 1 4134 1 1 15984 1 3883 1 1 1 1 2758 1 1 4705 1 2744 1 1 1 1 1 1 1 1 5710 3603 1 1 1 1 1 1 1 1 1 1 3272 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 1 721.4964 *721.4966* C39 H79 N O2 S4 1 1 3495 3486 1 1 1 2009 1 1 5201 6672 2104 2118 1 1 1 1 1278 1 1 1 1 1 2738 1706 5226 5529 1 1 1 1 1 1 1 1 3329 4276 1 2300 5954 4886 1 1015 4390 5549 1 1 1 1 5562 3004 1328 1487 3843 3534 1 2208 1 1 3325 1519 1 1 1 1242 1 3374 12449 12449 12851 14048 1 1 1 1 3305 1 3085 5110 1781 1447 3984 5440 1 1 1298 1 1 1797 721.4966 *721.497* 721.497@1.5235748 1 1 773216 789698 124469 1 1722 1 79063 1 1 1 1 127674 111850 1 1 88427 123803 116181 68229 1 1 1 1 281464 1 1 1 1 489350 550192 1 1 1 1 1 1 1 55477 139275 150178 1 53667 371756 391530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143476 158083 1 1 1 1 528131 1 1 1 1 1 1 1 1 1 1 1 1 1 109938 1 1 1 1 1 1 1 721.497 *721.4971* C37 H71 N O12 53561 51366 13300 13740 3233 138886 70828 64452 2039 71191 65418 58334 116626 2853 2585 102276 79115 2255 2480 2938 3475 69615 67438 68449 261063 3509 70585 72010 83884 95466 8172 9199 110293 114556 68183 64254 58824 60153 80145 1 3852 2768 60900 2830 4573 3038 82196 86734 89380 91684 139466 127677 139948 143124 120767 110455 27338 27789 93751 91609 172861 170964 3365 4858 123069 135262 80459 88561 10024 520401 347122 349480 66403 60252 39579 46550 464127 464304 115101 114733 95689 95972 2694 136705 30550 32315 71999 68613 80768 86501 721.4971 *721.4972* 721.4972@1.9229239 1 1 1 1 1525 9255 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 1 1 1 1 1 1 1 1 1 1 1 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 1 721.4972 *721.4974* 721.4974@1.2214959 1 1 24106 12749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12181 11475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 2265 1 5580 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 6743 1 1 1 1 6853 1 1 1 1 2105 1 5275 1 1 1 1 1 1 721.4974 *721.4977* 721.4977@2.048621 2689 1 1 16949 8058 2800 1 1 1 1 1616 1 8321 8703 10477 1 1 1 1 16026 1 1 1 1 1 4002 5080 1 1 1 1 1 6376 1 2949 1 9613 1 4340 14182 1 2665 1 1 1 1 1 1 10141 11124 1 5572 1 1 1 1 1 1 9012 1 8037 1 1 1 6569 1 3956 1 11395 1 3448 1 1 1 7155 4033 6239 3769 1 1 1860 1 1 1 1 1 11865 2147 12454 6724 721.4977 *721.534* 721.534@1.1946682 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.534 *721.7103* 721.7103@7.834582 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 1 1 1 1 1 1 1 721.7103 *721.8001* 721.8001@6.6153665 1 1 9447 9605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3308 3233 1 1 1 1 2602 2010 1 1 1 1 1 1 1 1 1 1 1 1 2014 1840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2735 2346 2634 2538 1 1 1 1 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 721.8001 *721.9518* 721.9518@4.099233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7037 7078 1 1 1 1 1 1 1 1 1 1 1 1 1725 2163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6242 6824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.9518 *721.979* C29 H10 N2 O21 1 1 277230 273637 16363 15933 3013 2955 1 1 1 1 14035 13339 1 1 2343 2172 6317 6067 1 1 1 1 94844 3142 1 1 1 1 92293 93954 1 1 1 1 6561 7354 1 1 3335 2786 6308 6713 2890 74958 3809 3227 1 1 1 1 7098 7401 1 1 1 1 1 1 3529 3792 8118 7528 9842 10191 1 1 108799 112201 85657 85808 1 1 1 1 61030 61763 2925 2529 1 1 1 1 1 1 1 1 1 1 721.979 *721.9793* 721.9793@4.945921 1 1 9318 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3674 91946 1 1 1 1 4885 1 1 1 1 1 1 1 1 1 1 1 1 1 75572 2489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5536 4434 3576 1 1 1 1 1 2387 2253 1 1 1 1 1 1 1 1 1 1 1 1 721.9793 *722.1328* 722.1328@6.6147227 1 1 6219 5544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1737 1536 1 1 1 1 1601 1799 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2331 1677 1411 1859 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.1328 *722.4541* 722.4541@4.0962386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4263 3727 1 1 1 1 1 1 1 1 1 1 1 1 1736 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4160 4532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.4541 *722.4624* 722.4624@1.186761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27366 27382 1 1 1 1 1 1 1 1 1 1 1 1 9954 9856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1912 1 1 1 1 1 1 25086 25995 1 1 1 1 1 1 8570 9315 1 1 1 1 1 1 1 1 1 1 1 1 722.4624 *722.484* 722.484@1.1910596 1 1 1 11847 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.484 *722.4988* 722.4988@1.3335252 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.4988 *722.5001* 722.5001@2.1616023 1 1 1 1 5425 1 1 1 1 1 1 1 1595 1 1 1 1 5773 1 1 1 1 1 1 1 1 1 3205 2201 1 1 1 1 1 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 9172 2041 1 3487 1 1182 1 1 1 1 1 1 1 1 1 1 1 1 1 6921 1 1 1 1 1 1 1 1 722.5001 *722.5004* 722.5004@2.087312 1 1 1 1 8128 1 1013 1 1 2170 1 1 9540 11978 10238 1 1 3386 1 3329 1 1 1 1555 1 1 1 2461 1 1 1 1 7374 1 4451 1 1 1 4481 1 1 1 1 1 1 1 1 1 1 9677 1 1 2402 1 1 1 1 1 1 1 1 1 3262 4038 5599 1 1 3585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1219 1 1 1 1 1 1601 722.5004 *722.5307* 722.5307@1.2078297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2162 1900 1 1 1 1 1 1 722.5307 *722.7937* 722.7937@5.022618 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.7937 *722.877* 722.877@1.5142262 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.877 *722.9484* 722.9484@1.5381333 1 1 1 1306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.9484 *722.9753* 722.9753@4.9265013 1 1 1 1524 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 722.9753 *723.2078* 723.2078@5.013605 1 1 1 2767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.2078 *723.4264* 723.4264@4.3104877 1 1 1702 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1261 1 1 1 1 1 1 1 1 1 1 1 1 1489 2002 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 1 723.4264 *723.4447* 723.4447@1.0578185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 723.4447 *723.5014* 723.5014@2.1845973 1 1 2536 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 1228 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.5014 *723.5024* 723.5024@1.585278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1416 1 1 1 1 1 1 1 1 1 1 1 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 1 723.5024 *723.5027* 723.5027@2.07879 1 1 1 3889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2850 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 1 723.5027 *723.5218* 723.5218@1.118938 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1081 1331 1 1 1 1 1608 1533 1072 1 1 1 1 1827 1 1 1 1 1 1 1 1 1383 1 1 1 2610 2542 1 1 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 1 723.5218 *723.6703* 723.6703@5.0195856 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 1 723.6703 *723.6822* 723.6822@5.0146065 1 1 1 1106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.6822 *723.9576* 723.9576@5.014401 1 1 17789 19279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6401 6274 1 1 1 1 6542 6237 1 1 1 1 1 1 1 1 1 1 1 1 5177 5388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6934 7783 6003 6220 1 1 1 1 4057 4181 1 1 1 1 1 1 1 1 1 1 1 1 723.9576 *724.4602* 724.4602@5.0139737 1 1 11407 11305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3808 3397 1 1 1 1 3663 3485 1 1 1 1 1 1 1 1 1 1 1 1 2801 2560 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4790 4380 3677 3090 1 1 1 1 2068 2253 1 1 1 1 1 1 1 1 1 1 1 1 724.4602 *724.5149* C28 H60 N20 O3 13177 4057 4522 15962 16665 16231 16753 11040 10334 4627 16047 15985 1 15895 17036 1 1 1 12255 11988 9846 1 14356 1 11833 11240 12835 1 15237 8335 1 9929 1 12662 1 6828 1 1 10939 1 5682 1 6213 5555 20156 1 14133 1 1 12179 1 16794 7257 13775 12475 15762 6357 9638 1 1 8058 7037 11128 7605 5584 1 1 10259 8298 10487 7526 8499 1 8607 1 9579 7161 9584 3831 7161 7514 7153 5508 10676 8420 5328 1 11280 1 6825 724.5149 *724.5174* C32 H64 N14 O5 1 12505 12192 1 1 1 1 5454 6904 11740 1 1 14868 1 1 17969 16668 15381 4517 4341 5856 16496 1 15023 3912 4298 1 16184 1 3633 15768 5256 15067 3340 11787 5196 15607 15936 4773 16157 9884 14184 9964 11302 1 15397 4597 18928 14885 7112 19432 1 12207 5337 7408 3517 14305 5149 16160 19505 1 4491 1 4258 2597 11176 11017 1 3327 1 3435 1 10888 1 11246 1 3798 2116 7020 3831 4099 4229 3464 1 3345 2524 10346 1 11829 5160 724.5174 *724.6026* 724.6026@1.1249186 1 1 1 1 1 1 1 1 1 1 1 1431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 724.6026 *725.0169* C23 H19 N O26 7250 10150 7709 10275 10097 7928 10669 7180 10255 6834 9652 10206 6983 10356 10420 10786 7666 9642 3930 6069 6263 10021 2270 9971 9400 6621 10194 10830 8636 10216 9421 9735 9667 9872 9490 10396 6702 9789 6195 9024 6540 9922 2881 5784 11660 11557 11602 12149 12003 9253 7213 12381 11918 8503 11704 8697 12967 13259 7687 8336 4223 7154 7282 4396 6142 4937 7853 4986 3131 6319 4266 4698 6632 6223 7102 6537 7024 4663 7268 6647 4339 6693 6688 6856 6685 4822 2116 6680 7571 6756 725.0169 *725.0208* 725.0208@4.872789 3590 1 2992 1 1 2096 1 3612 1 3498 1 1 3662 1 1 1 3034 1 6514 4002 4143 1 7937 1 1 3680 1 1 1 1 1 1 1 1 1 1 2823 1 3142 1 2365 1 7638 1 1 1 1 1 1 1 3442 1 1 4396 1 3601 1 1 4408 4514 1 1 1 2548 1 1744 1 2158 3378 1 2177 2130 1 1 1 1 1 1 1 1 2169 1 1 1 1 2161 4741 1 1 1 725.0208 *725.5169* 725.5169@4.863642 1 1 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 1 1 1 1 1 1 1 1399 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 1 725.5169 *725.5206* 725.5206@4.8423953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1454 1 1 1 1 1691 1 1 1 1574 1 1 1368 1 1 1 1 2892 4223 1 1 1 1 1 1304 1 1 1 2530 1 1 3568 1 1 1 1 1 1 1 1 5723 1 1 1 1 1 1 2937 1 1 1 1 1 1 1931 1 1 1 1 1 1 1 1 1 1 2749 1 1 2713 1 1 1 1 725.5206 *726.436* 726.436@5.0180955 1 1 3857 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 1 726.436 *726.4512* 726.4512@1.9810603 1 1 6682 6160 1 1 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 3672 1 1 1 1 1 1 1 1 1 1 1 1 2763 2215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3923 4119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.4512 *726.9341* 726.9341@5.019598 1 1 1931 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.9341 *727.5793* C45 H78 Cl N3 O2 6051 3247 1 1846 1713 2311 2727 1 2670 2291 1784 2182 1608 2661 2399 2439 1 2374 2468 2550 2254 1 1951 2301 2383 2915 1936 2498 1 2262 1 2240 1 2374 2487 1929 2309 2177 2211 1 2107 2481 2455 1 3591 2657 2743 3835 2912 2495 4057 3440 3668 4490 3810 3800 4067 4550 3688 3969 1 1 1 1 1502 1999 1884 2262 1 1332 2385 1961 1503 1 1 1781 1805 1915 2015 1912 1978 2205 2129 2369 1962 1827 2303 2567 1765 2037 727.5793 *727.5861* 727.5861@1.2140245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 727.5861 *727.786* 727.786@8.687146 1 1 1235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.786 *728.4842* 728.4842@4.990081 1 1 25101 24390 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6965 7316 1 1 1 1 8485 8948 1 1 1 1 1 1 1 1 1 1 1 1 6854 6943 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10222 10468 7509 7685 1 1 1 1 6116 6356 1 1 1 1 1 1 1 1 1 1 1 1 728.4842 *728.6385* 728.6385@1.1497697 1 1 1 1 1 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 728.6385 *728.9857* 728.9857@4.9903684 1 1 16632 15659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4614 4507 1 1 1 1 5941 5803 1 1 1 1 1 1 1 1 1 1 1 1 4415 4453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6807 6588 5110 5303 1 1 1 1 3658 3017 1 1 1 1 1 1 1 1 1 1 1 1 728.9857 *729.5592* 729.5592@1.1859459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5120 5668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.5592 *730.3473* 730.3473@1.1159322 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2799 3001 1 1 1 1 730.3473 *730.4508* 730.4508@7.176885 1 1 11503 12220 2513 1629 1 1 1 1 1930 2499 2283 1670 1 1 1 1 1 1012 1 1 1 1 6678 6408 1 1 1 1 6221 6126 1 1 1 1 3239 3196 1243 1362 1 1 3235 3283 6651 6686 1 1432 1 1 1 1 1364 1945 1 1 1380 1328 1 1 1 1 1 1356 1 1545 1 1 7712 8186 5209 4752 1 1 1 1 3750 3804 1433 1 1 1 1 1 1 1175 1 1 1 1 730.4508 *730.4799* 730.4799@0.9875758 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3802 1909 1997 2161 1695 1 1 1713 1 1 1 2135 2342 1 1 2155 2761 1 1 1 1 1 1 1 1045 1923 2104 1 1595 1636 1938 1 1 1 1 730.4799 *730.5969* 730.5969@6.0435886 1 1 1 1 1 1 1009 1144 1 1 1 1 1 1 1 1 1 1 1 1 1573 1297 1061 1 1 1 1 1 1 1 2174 2028 1 1457 1811 1806 1213 1684 1 1 1 1664 1 1 1 1 1 1447 1 1 1327 1778 1748 1 1 1 1 1 2750 2655 1 1 1 1 1904 1815 1 1 1131 1288 1479 1581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1495 1 1 730.5969 *730.9537* 730.9537@7.177893 1 1 7593 7310 1437 1 1 1 1 1 1 1527 1250 1345 1 1 1 1 1 1 1 1 1 1 3129 3128 1 1 1 1 3769 3290 1 1 1 1 1675 1930 1 1 1 1 2010 1576 4221 4071 1045 1 1 1 1 1 1324 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4601 4151 3030 2744 1 1 1 1 1957 2056 1 1 1 1 1 1 1 1 1 1 1 1 730.9537 *731.4404* 731.4404@1.1551893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.4404 *731.5359* 731.5359@1.2055677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5359 *731.5387* 731.5387@1.8158098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 731.5387 *731.5391* 731.5391@1.653451 1 1 1 1 1 1 1 1 1 1 3537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3280 1 1 1 1 1 1 1 1 1 731.5391 *731.5513* 731.5513@5.1440544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.5513 *731.9459* 731.9459@5.0166097 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 731.9459 *732.5017* 732.5017@5.017585 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 732.5017 *732.5122* C36 H60 N16 O 5314 5223 1 8160 1 5513 2702 5895 2666 5542 5324 2163 1 2244 1 9766 5575 7056 5215 1 5016 5421 5371 5177 1 1 5308 1 4586 6029 1933 3003 4927 2423 1 4831 1 1 1 1 5998 5986 1 1 3148 6932 3125 6512 6035 6255 5759 6427 6600 6184 6067 6584 7042 1 3185 6342 1 5756 1 1503 1 1132 3662 1 2576 1 4021 1745 2065 3945 3816 1 1964 3919 3753 3776 4432 1 3793 1890 1817 3756 1 1 4290 1 732.5122 *732.517* C40 H64 N10 O3 3109 2861 7229 1 7135 2470 5427 3080 5660 2235 3009 5508 8472 5135 9446 1 2573 1 2904 7664 2661 2728 2780 2846 8147 1 3371 8215 3139 2458 3980 5436 2873 5381 7690 2435 7234 7048 7987 7414 2119 2243 7461 7344 6297 2763 6710 2391 4029 3650 3490 3225 2861 3692 3036 2464 3123 9786 6070 3033 3399 1 6111 4403 5493 4549 1 5496 3497 6221 2740 4314 3590 1747 1408 5184 3926 2128 1911 1839 2088 4084 1714 4002 3945 1812 5418 3550 1 5983 732.517 *733.0171* C28 H11 N7 O18 3467 4496 5653 5347 1456 3014 3069 3309 1651 2923 4874 1704 2097 3184 1897 6192 2941 3281 1794 4898 4805 1390 4709 4665 5204 3108 4585 4818 3184 4737 2053 4488 4869 4488 4634 4821 4680 1902 4688 4212 4927 4648 1295 1458 2430 3790 6015 5416 6036 1845 3269 1942 1412 1834 1851 3394 2433 5678 5264 5416 3602 3856 2538 3543 3197 2366 3207 2605 1151 2791 2533 2387 3174 3494 3570 3564 2447 2092 1 2247 2591 2751 1128 2490 1 1 3626 2747 3880 3698 733.0171 *733.0172* 733.0172@4.9662223 1648 1 1 1 3183 1 1 1790 2713 1 1 3228 2735 1813 3412 1 1 1454 2923 1 1 3603 1 1 1 1748 1 1 1 1 1 1 1 1 1 1 1 2601 1 1 1 1 2933 3094 3599 1865 1 1 1 3777 1922 3452 4735 3983 3369 1733 3599 1 1 1 1 1 1 1 1 1 1 1 2625 1 1 1 1 1 1 1 1 1 1 1 1 1 2539 1 1 1 1 1 1 1 733.0172 *733.5524* 733.5524@5.152691 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.5524 *733.5638* C42 H75 N3 O7 1 1 1 1 1654 2205 2426 2701 1622 1 1 1 1 1358 1 1 1 1 2020 2375 2148 2543 2437 2636 1 1 1 1 3473 3376 3460 3568 2926 2847 2850 2939 3575 3997 3083 2386 3307 3510 3436 3286 1929 2337 1948 1909 1 1635 3511 3473 3083 2444 1 1 1 1 4722 4715 1 1 2382 2123 2805 2782 1 1 3108 2888 3493 3749 1 1 1 1 1 1 1 1 1 1 3004 1462 1 1 3042 2466 1 1 733.5638 *735.4849* 735.4849@1.2062979 1 1 1 3179 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 735.4849 *735.4866* 735.4866@4.9820037 1 1 2212 1737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1252 1 1113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.4866 *735.4998* 735.4998@1.2010951 1 1 1 1 1 1 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 1454 1505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.4998 *735.5084* 735.5084@1.5584309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.5084 *735.5114* 735.5114@2.0904367 1 1 6143 9836 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7717 5016 1 1 1 1 1 1 1 1 1 1 1 1 4096 5213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7432 5947 1 1916 1 1 1 1 2379 1107 1 1 1 1 1 1 1 1 1 1 1 1 735.5114 *735.5126* C43 H77 N O2 S3 1 1 39835 40370 4919 4902 1 1 1 1 1 1 4443 4271 2896 2525 1 2014 4704 4157 1 1 1 1 9485 10636 1 1 1 3044 26316 27988 2997 3202 1 1 1 1 1 1 4899 5531 1 1 19408 20257 1842 1 1840 2516 4132 3823 5850 5322 3135 3528 1 1 2057 1 5598 6087 5440 6083 4330 4639 1 1833 27600 29514 15024 15320 1 1 1 1 22676 23213 2748 2823 1 2463 4178 3997 1 1 1 1 1 1 735.5126 *735.5133* 735.5133@2.0377667 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1937 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.5133 *735.8576* 735.8576@5.4950457 1 1 1 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 735.8576 *735.8624* C23 H4 N4 O19 S3 3489 3054 3366 3412 1 3440 3068 3461 3620 3205 3204 3204 3190 3345 3220 3122 3092 2853 3426 3244 3231 3591 3296 3340 3040 3348 3302 3230 2982 3008 3366 3156 3765 3428 3020 3300 3053 2874 3702 3866 3567 3553 3745 2954 3428 3466 3043 3285 3378 3614 4401 4580 3957 4036 4112 3700 3597 3751 3605 3347 4515 4010 2962 3051 3866 4271 3715 3536 3452 3579 4911 5366 3106 3017 3658 3424 4706 4301 4234 5106 4317 5132 4457 5046 4700 4767 4397 4534 4348 4179 735.8624 *736.1382* 736.1382@6.6962533 1 1 6024 6725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1478 1521 1 1 1 1 1084 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2178 1439 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.1382 *736.3721* 736.3721@5.491393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1123 1 1164 1 1 1 1 1047 1 1 1 736.3721 *736.4756* 736.4756@6.6954083 1 1 5882 5830 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1859 2271 1 1 1 1 1652 1753 1 1 1 1 1 1 1 1 1 1 1 1 1370 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1678 1896 1668 1879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.4756 *736.481* 736.481@1.1869956 1 1 1 1 1 1 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 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1318 1698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.481 *736.4838* 736.4838@5.146283 1 1 9984 9458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3681 3659 1 1 1 1 2753 2648 1 1 1 1 1 1 1 1 1 1 1 1 2494 2659 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3213 3392 2791 2444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.4838 *736.5138* 736.5138@2.0886972 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.5138 *736.8066* 736.8066@6.696594 1 1 3665 3837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.8066 *736.984* 736.984@5.1483846 1 1 6307 6079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 2101 1 1 1 1 1 1450 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 2081 1775 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 736.984 *737.1821* 737.1821@1.9449868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1127 1 1 1 1 1 1 1 1 1 1 737.1821 *738.1789* 738.1789@1.9459865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1424 1 1 1 1 1 1 1 1 1 1 738.1789 *738.8797* 738.8797@1.2055825 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 1244 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1378 1 1303 1 1 1 1314 1402 1111 1460 1099 1423 1022 1 1 1117 1013 1 1 1154 1132 1 1244 1 1 1 1 738.8797 *738.887* 738.887@1.2029877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1000 738.887 *739.2162* C27 H29 N15 O11 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1382 1210 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1034 1 1131 1114 1 1188 1121 1 1004 1095 1029 1 1 1 1 1 1315 1692 1273 1638 1 1 1220 1205 1004 1406 1394 1444 1375 1295 1148 1252 1256 1271 1056 1 1128 1532 1240 1568 1432 1294 1 1117 739.2162 *739.2165* 739.2165@1.0735215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.2165 *739.441* 739.441@4.8755116 1 1 4634 4880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.441 *739.4575* C31 H53 N19 O3 1 1 4734 6402 2465 1699 1 1692 2730 1391 1 1 3015 2586 1 1 1 1 1 1605 1 1 1 1 3888 3182 1199 1 1 1 5002 4930 1 1 1 1 1526 1742 1457 8255 1261 1 2530 3369 5833 5412 1958 2697 1 1842 1 1 1810 1718 1 1 1 1 1 4845 1422 1503 1 1 2029 1673 1 1 5114 4290 2972 3087 1 1 1 1 2767 2735 2204 1626 1 1 1 1 1 1 1 1 1 1 739.4575 *739.4603* 739.4603@5.2618546 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 4155 1 1 1 7700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.4603 *739.4613* C35 H65 N9 O4 S2 3063 3337 30136 1 12034 8575 8924 7858 3962 8614 8812 9035 12436 14270 2568 2520 4972 5910 8489 8380 3614 3826 3522 2835 17113 17924 6517 5690 5550 5966 23184 22342 1099 1044 4453 5092 9707 10266 3703 1 7230 7074 5795 12612 23493 23986 11141 10717 7880 6845 3308 3184 11017 11662 4781 4236 6802 6535 6658 1590 10945 10895 7917 8249 9187 10311 1064 1955 24484 26779 20041 20261 3918 4095 3509 3486 18940 18992 15952 16135 3694 3800 2498 3520 6281 5764 4431 4691 1310 2170 739.4613 *739.5581* 739.5581@1.2051879 1 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 1430 1 1153 1 1 1 1 1 1 1082 1 1185 1200 1 1 1 1001 1 1 1 1 1 1 1 1 1 1 739.5581 *739.5741* 739.5741@1.2055948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1038 1 1 739.5741 *739.9417* 739.9417@4.8770123 1 1 2453 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.9417 *740.3418* 740.3418@1.1289673 1 1 5001 5346 1 1 1 1 1 1 1 1 2707 1 1 1 1 1 1 1 1 1 1 1 1824 1788 1 1 1 1 3890 3387 1 1 1 1 1 1 1 1 1 1 1 1 1793 1828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5666 6133 1468 1812 1 1 1 1 1687 1850 1 1 1 1 1 1 1 1 1 1 1 1 740.3418 *740.349* 740.349@1.0066745 1 1 1693 1 2573 2957 1 1 1 2031 1 1 1 2733 2303 2233 1 1 1605 1 2476 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.349 *740.4136* 740.4136@3.7473395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1767 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.4136 *740.4147* 740.4147@3.7163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1441 2031 1 1 1 1 9367 8452 1 1 1 1 1 1 1 1 1 1 1 1 3823 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2974 1711 1 1 1 1 1 1 11869 8761 1713 1486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.4147 *740.4635* 740.4635@5.188552 1 1 1 1 1 1 1 1 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.4635 *740.6325* 740.6325@1.0695938 1 1 1 1 1032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1214 1159 1 1 1 1 1 1 1 1 1025 1164 1 1 1 1 1 1 1 1 1060 1 2365 2245 1 1 1001 1085 1 1 1303 1405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1132 1 1 1 1 1 1 740.6325 *741.4183* 741.4183@3.7626998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.4183 *741.4193* 741.4193@3.7149436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1586 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.4193 *741.6296* C48 H87 N S2 1073 1 2432 2498 6445 6651 2923 2869 2719 2686 4238 5106 2133 2037 4785 4308 5585 5541 2235 2330 4640 4377 2388 2524 4412 4295 1 1 8879 8533 1727 1805 3530 3710 7650 7583 1275 1715 7803 7545 4993 4862 3417 3498 1345 1324 1 1 7864 7700 16893 17071 4435 4611 7142 6783 1 1 10224 10364 1 1 2646 2649 3533 3437 1 1 2856 3032 5755 5665 1 1 1 1 1 1 1836 1827 1 1 8297 8640 1 1 3511 3866 1562 1199 741.6296 *742.4801* 742.4801@5.167242 1 1 2009 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 1 1 1 742.4801 *742.9815* 742.9815@5.164239 1 1 1816 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 742.9815 *743.4912* C34 H65 N9 O9 1 1 412950 414257 23912 23631 4828 4470 1 1 1 1 18676 18237 1 1 3269 3430 8533 8001 1 1 1 1 5467 147278 1 1 1 1 133701 132544 1 1 1 1 11437 11436 1 1 4716 4924 9366 9066 109819 111080 5242 5536 1 1 1 1 9982 9998 1 1 1 1 1 1 5680 6182 11102 10271 13537 14655 1 1 158020 158989 129429 5065 1 1 1 1 89746 93077 3768 3088 1 1 1 1 1 1 1 1 1 1 743.4912 *743.4931* 743.4931@5.031265 1 1 16964 15466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148166 5706 1 1 1 1 6151 6065 1 1 1 1 1 1018 1 1 1 1 1 1 5124 5042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7314 8042 4846 129875 1 1 1 1 3504 3614 1 1 1 1 1 1 1 1 1 1 1 1 743.4931 *743.5009* 743.5009@5.050736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1040 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.5009 *743.5746* 743.5746@1.4209025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1566 1 1 1 1 1 1 2130 1 1 1 1 1 2231 1 2149 1 2037 3062 2564 1837 2616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.5746 *743.5837* 743.5837@5.0611496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.5837 *743.963* 743.963@4.2205462 1 1 1562 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 6672 6966 1 1 1 1 1 1 1 1 1 1 1 1 2373 2348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7174 6419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.963 *743.9915* C26 H16 O26 1 1 12029 272757 16207 14926 2621 2787 1 1 1 1 11965 12149 1 1 1781 1759 4999 5417 1 1 1 1 98054 98829 1 1 1 1 90844 4002 1 1 1 1 7124 7887 1 1 2719 3071 6387 6245 73011 72120 2793 3015 1 1 1 1 6786 6521 1 1 1 1 1 1 3228 3987 7264 7543 9263 9122 1 1 4934 4333 3395 3012 1 1 1 1 60574 60086 2424 2496 1 1 1 1 1 1 1 1 1 1 743.9915 *743.9937* 743.9937@5.072545 1 1 275428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3303 3373 1 1 1 1 4260 89136 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 105594 106966 82980 86141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 743.9937 *744.2224* 744.2224@5.12316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.2224 *744.314* 744.314@5.1156087 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.314 *744.3888* 744.3888@0.9398775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 744.3888 *744.4644* 744.4644@4.218222 1 1 1 1041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5043 4403 1 1 1 1 1 1 1 1 1 1 1 1 1680 1610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4641 3868 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.4644 *744.7261* 744.7261@5.1136084 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 1 1 1 1 1 1 1 1 744.7261 *744.8026* 744.8026@5.134615 1 1 1224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.8026 *744.9921* 744.9921@5.0196137 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 744.9921 *745.5899* 745.5899@1.0671711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1462 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 745.5899 *745.9741* 745.9741@5.113136 1 1 19545 19353 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6989 6576 1 1 1 1 6262 5804 1 1 1 1 1 1 1 1 1 1 1 1 5082 4909 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7680 7694 6605 5829 1 1 1 1 4843 4330 1 1 1 1 1 1 1 1 1 1 1 1 745.9741 *746.4742* 746.4742@5.113061 1 1 12389 12288 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3771 3812 1 1 1 1 3283 3584 1 1 1 1 1 1 1 1 1 1 1 1 2865 2925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4520 4873 3441 3233 1 1 1 1 2581 2207 1 1 1 1 1 1 1 1 1 1 1 1 746.4742 *746.5309* C40 H70 N6 O7 10129 7471 11610 9087 9903 10799 10765 12265 9515 10200 7394 10852 10963 7528 11355 11502 9889 10050 7833 8662 9968 3019 10309 10445 7890 7629 11451 7680 10568 9886 3609 10055 7755 10329 10126 10784 11119 3348 10504 3692 3383 6678 8494 9965 13240 8397 13597 12183 9975 9455 8625 7532 4706 8329 8129 8791 13866 13497 11609 11642 3609 5270 6795 7063 5181 5995 6976 5513 5379 6434 4729 5023 7436 4777 5582 2191 7749 3117 7236 7155 7084 5195 7660 5663 2255 7207 7097 7372 7384 6998 746.5309 *746.5334* 746.5334@4.9473133 1 3661 1 2795 1 1 1 1 1 1 3022 1 1 3738 1 1 1 1 3466 2842 1 5161 1 1 3635 3426 1 3745 1 1 7246 1 2680 1 1 1 1 7537 1 6703 7082 3678 1 1 1 5127 1 1 1 4237 4599 5343 8541 4773 5027 3980 1 1 1 1 2082 2555 1 1 2313 2024 1 1 2137 1 1 1423 1 2093 1 5064 1 4984 1 1 1 2415 1 2034 5189 1 1 1 1 1 746.5334 *746.5729* 746.5729@1.0715208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 746.5729 *746.5827* C42 H86 N2 O2 S3 1 1 1 1115 4297 4328 2047 2020 1664 1752 3310 3112 1564 1787 3332 3476 3714 3997 1006 1795 3188 3367 2037 2045 2970 2950 1 1 6220 5853 1160 1330 2768 2584 5978 5953 1077 1372 5071 5647 3189 3181 2696 2757 1 1 1 1 4351 4244 10395 11244 2663 2576 3760 3781 1 1 4798 4740 1 1 1381 1 2289 2036 1 1 2076 1994 4223 4070 1 1 1 1 1 1 1 1 1 1 6175 5620 1 1 2495 2877 1611 1543 746.5827 *747.0332* C29 H13 N7 O18 7673 4266 6955 7717 7076 7319 7126 6884 6720 6949 7289 6914 6427 3757 6999 8412 6512 6490 4956 3827 6716 6472 6484 4763 6561 4239 7192 7545 6137 6551 5066 6890 5144 6900 6381 4657 6776 6478 6441 7005 2342 1972 6098 7296 8377 5480 8273 8688 8628 8508 7941 5851 7905 2999 5357 3362 7137 8843 7999 8283 1495 4728 4459 4867 4526 1495 4406 3015 5187 4558 4163 1979 4535 3026 4318 2768 4610 3224 4565 4620 1 2943 4222 1851 1603 4492 2972 4347 3949 3440 747.0332 *747.0344* 747.0344@4.9378796 1 2144 1 1 1 1 1 1 1 1 1 1 1 2529 1 1 1 1 2242 2259 1 1 1 2013 1 1 1 1 1 1 1763 1 1785 1 1 1991 1 1 1 1 4579 4146 1 1 1 3086 1 1 1 1 1 2666 1 5082 2501 5304 2528 1 1 1 2920 1 1 1 1 3051 1 1 1 1 1 2826 1 1476 1 1676 1 1340 1 1 1 1161 1 2869 3168 1 1431 1 1 1 747.0344 *747.5336* 747.5336@4.9191203 1169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2713 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 747.5336 *748.4474* 748.4474@5.121192 1 1 3472 3750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.4474 *748.4964* 748.4964@1.9622577 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21466 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.4964 *748.949* 748.949@5.1191883 1 1 1918 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.949 *749.3993* 749.3993@0.99773914 7050 6345 1 1 3591 3824 4016 4090 3553 1807 8909 8679 2812 2391 3705 4018 7710 7850 4354 4046 1 1 4171 3558 4731 4957 1 1 3832 3724 3292 3757 4422 4859 4086 4314 3000 5927 4106 4482 4181 4771 2828 2326 4103 4191 3670 3919 4578 4293 1 1 5531 5683 1 1 7041 6820 1 1 5068 4918 4923 4506 4132 4706 6843 3535 4306 6218 7376 7308 5578 5289 1 1 4412 4646 4312 3347 1 1 1 1 2981 1 5573 5484 2656 4741 749.3993 *749.4942* 749.4942@1.2043239 1 1 2539 2714 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 3277 1823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 3120 1 1 1 1 1 1 1846 1689 1 1 1 1 1 1 1 1 1 1 1 1 749.4942 *750.4119* 750.4119@1.0021746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.4119 *750.4967* 750.4967@5.0847993 1 1 24027 24911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7270 7481 1 1 1 1 8910 9144 1 1 1 1 1 1 1 1 1 1 1 1 6642 6856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10493 10565 7328 7312 1 1 1 1 5858 5470 1 1 1 1 1 1 1 1 1 1 1 1 750.4967 *750.8171* 750.8171@6.776501 1 1 4325 4028 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 750.8171 *750.9993* 750.9993@5.0838714 1 1 16147 15910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4572 4825 1 1 1 1 5741 5596 1 1 1 1 1 1 1 1 1 1 1 1 3801 3982 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6599 6427 4095 4357 1 1 1 1 3608 3524 1 1 1 1 1 1 1 1 1 1 1 1 750.9993 *751.1503* 751.1503@6.7765594 1 1 3693 3763 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.1503 *751.408* 751.408@1.0081701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 751.408 *751.4878* 751.4878@6.773942 1 1 2957 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.4878 *751.5062* 751.5062@1.9899629 1 1 4194 4819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.5062 *751.5076* 751.5076@1.5822889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9226 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7985 7261 1 1 1 1 9693 10393 2489 4098 3201 3626 1 4335 1 1 1 1 1 1 751.5076 *751.5104* 751.5104@1.2316535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2083 1 1 1 1 1 1 1 1 1 1 1 1 751.5104 *752.4256* 752.4256@1.1274618 1 1 1 1 1 1992 1 1 1 1 1 1 1 1039 1783 2401 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 752.4256 *752.4656* 752.4656@7.2814217 1 1 8178 8979 1279 1161 1 1 1 1 1958 1561 1333 1210 1 1 1 1 1 1 1 1 1 1 5001 4572 1 1 1 1 4657 4621 1 1 1 1 2224 2468 1 1 1 1 2314 2576 5420 5076 1 1168 1 1 1 1 1050 1458 1 1 1 1 1 1 1 1 1 1 1 1242 1 1 5583 5625 3219 3548 1 1 1 1 2918 2938 1 1 1 1 1 1 1 1 1 1 1 1 752.4656 *752.4687* 752.4687@1.0824034 1 1 1 1 1 2584 1 1 1948 2616 1 1 1 1 4874 4478 1 3687 2859 1580 1 1 2091 1 1 3074 1 1 3145 4335 2959 2786 4140 4301 2971 1 1 1 1 1 1244 3427 1 1 3324 3558 1 1 1689 7337 7523 8607 5870 6319 5863 8315 1 1 9357 8867 1 1 3740 3169 3733 3545 1 1 1 4089 4770 1 1 1 1 1 1 1 1 1 1 1 1 5805 1 1 1 3665 1 1 752.4687 *752.964* 752.964@7.281039 1 1 4802 5246 1 1 1 1 1 1 1056 1341 1 1 1 1 1 1 1 1 1 1 1 1 2770 2468 1 1 1 1 3127 2908 1 1 1 1 1350 1458 1 1 1 1 1451 1355 2630 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3528 3100 2184 1951 1 1 1 1 1558 1544 1 1 1 1 1 1 1 1 1 1 1 1 752.964 *754.5187* 754.5187@5.090658 1 1 2364 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 754.5187 *754.5298* 1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoserine 3180 3568 3582 4226 2122 4188 3803 3523 2072 4370 3119 3567 3162 3868 5873 4768 2019 3236 3171 2288 3902 3963 3937 3652 3155 1329 1239 5174 3602 3801 1792 1865 1843 3365 3248 3147 3445 1755 1436 4946 3169 3814 3240 2286 2892 2598 3815 2176 3791 5661 1851 3908 4242 2265 3844 3974 5169 4708 4111 2096 2729 3057 2418 1371 2406 2953 2637 2554 2912 2543 2343 2764 2075 1827 2636 2643 2341 2325 2291 2109 1856 1892 1657 2403 2079 2846 1934 2658 3846 3367 754.5298 *754.53* 1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoserine + 5.069642 1886 1422 1 1 3545 1 1 1600 3689 1 2112 1458 1793 1576 1 1 3339 1709 1511 3181 1365 1388 1388 1744 1540 3040 4104 1 1854 1203 3948 2501 3207 1632 2113 1456 1888 3073 3687 1 1 1773 1889 3391 3722 4106 2475 4016 2356 1 4055 2204 1704 3947 2640 1708 1590 1272 1 4235 1053 1 1 2639 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1461 1318 1 1 1 1 1 1 754.53 *755.0307* 755.0307@5.0327396 1380 2001 1398 3925 2088 2555 2448 2116 2200 3451 2054 2108 2109 2222 3866 4049 1 2290 1771 2905 2413 1639 2095 2259 2190 2286 1392 3390 2613 3209 2203 2141 1925 2491 1798 2171 2235 2015 1142 1416 1949 1268 2001 3454 1630 3463 2636 2300 2283 3835 2546 2589 2438 2476 2331 2764 2818 3847 2649 2476 1662 1949 1529 2843 1 1 2275 1445 1 1 1529 1883 1644 1493 1 1509 1349 1699 1440 1869 1685 1537 1837 1595 1998 1393 1708 1745 2796 1 755.0307 *755.0321* 755.0321@5.072649 1963 1 1 1 1 1 1517 1 1 1 1006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1359 2224 1 1 1 1 1 1633 1 1 1 1 1 2265 1551 1 2503 1 1 2303 1 1 1324 1604 1 1 1 1410 1 1241 1186 1383 1 1 1238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 755.0321 *756.3406* 756.3406@1.0334462 1 1 1 1 1 1 1 1 14211 1 1 1 1 1 1 1 1 1 1 1 1 1 18336 1 1 1 41539 1 59638 1 1 1 1 1 8574 1 1 8532 1 1 1100 1 1 1 1 1 1 1 1 16633 1 1 1 1 1 1 1 1 1 1 1 56121 1 1 1 1 1 1 1 1 1 1 1 18491 1 1 1 1 1 1 7902 1 1 1 1 39383 1 1 1 1 756.3406 *756.3437* 756.3437@1.0263999 63684 68092 63991 63852 79603 80153 73220 71989 66025 80309 49835 51801 86107 85718 85687 85883 71061 72778 80030 80223 82812 82738 53084 72336 58823 60838 22239 62663 13480 71969 68817 68460 54396 52959 50860 58007 56880 50199 61719 61537 60918 60362 67679 70186 64372 64307 65931 65833 69112 28413 60376 62167 51889 52315 40061 39810 39380 38133 48907 50936 74011 16014 48650 47525 52363 51456 37176 36458 52047 50303 44849 44992 53357 29001 65434 65322 55927 56472 45876 46177 36899 43989 44746 46045 48829 8293 50853 49089 63068 63719 756.3437 *756.5985* 756.5985@1.1629994 1 1 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 1544 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 756.5985 *757.2187* 757.2187@0.9859627 41618 39966 55142 63082 43729 42015 40829 40760 117854 115472 17811 17641 21745 20883 20639 20394 17027 16435 15460 16748 38289 37866 42504 35761 35621 34213 15168 14424 12856 13736 40132 41776 33023 33002 35192 35152 30124 30774 92515 87392 16521 15198 18794 16116 15162 14447 15347 17719 12982 12794 11974 30711 30421 31175 28778 29273 31188 30890 29748 25483 25038 24868 26712 26142 26639 26261 20651 20125 47619 46811 7966 8747 12428 10133 10768 11109 9571 10710 9020 10191 19856 20721 21720 22051 22848 22782 25906 24584 10216 9879 757.2187 *757.3474* 757.3474@1.0238055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 757.3474 *757.4272* 757.4272@1.1672943 1 1 3393 3234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1076 1445 1 1 1 1 2039 2101 1 1 1 1 1 1 1 1 1 1 1 1 1086 1580 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3331 3355 1443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 757.4272 *757.5652* GPEtnNMe(18:1(9Z)/18:1(9Z))[U] 1 1 2492 2476 2235 2559 3845 4176 1999 2159 2328 1989 2285 2088 1954 2286 2987 3372 1833 1579 2731 2909 1 1 1897 2143 1597 1316 3596 3001 2580 2772 3304 3277 2808 2645 1571 1606 3128 3286 3559 3458 1867 1568 3747 3750 1197 1 1 1 2687 2711 2496 2540 1 1 1 1 4565 4710 5238 5080 3069 2747 5050 4762 1 1 3262 2807 4028 4141 2267 1849 1 1 1598 1694 1 1 1 1 2619 2592 1 1 4456 4729 5286 5192 757.5652 *758.2179* 758.2179@0.98549134 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 758.2179 *758.2296* 758.2296@1.2042434 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 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 1015 1982 1432 1 1156 1388 1697 1 1124 1 1278 1583 1123 1 1 1286 1 1 1 1 1064 1505 1409 1162 1 1 1467 1 758.2296 *758.3504* 758.3504@1.0290717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 758.3504 *758.4929* 758.4929@5.2512827 1 1 8199 8451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2042 2891 1 1 1 1 2331 2501 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 2714 2803 2402 2177 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 758.4929 *758.5641* 758.5641@1.2040951 1 1 1018 1 1 1 1 1 1228 1046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1690 1835 1045 1 1114 1 1257 1 1 1 1 1 1042 1 1 1093 1 1 1 1 1 1 1 1030 1 1372 1156 1 1 1369 1446 1089 1544 1215 1182 1080 1 1091 1443 1839 1288 1363 1199 1646 1356 1277 1210 2192 1 1510 1527 1311 1288 1544 1275 1366 1424 1 1160 1741 1471 1849 1794 1038 1076 1001 758.5641 *758.5799* 758.5799@1.2045286 1135 1 1 1 1 1 1 1 1 1 1101 1222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 758.5799 *758.5875* 758.5875@1.2009788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 2501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 758.5875 *758.8957* 758.8957@1.203567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 758.8957 *758.9964* 758.9964@5.2550077 1 1 5814 5729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1898 2073 1 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2092 1468 1662 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 758.9964 *759.4801* 759.4801@1.1296606 1 1 3030 4880 1 1 1 1 1 1 4785 12523 1 1 1 1 1 1 1 1 1 1 1 1 1950 1590 3763 3992 1 1 1 1 1 1 1 1 2596 2339 1 1 2233 2005 1 1 4553 4892 1 1 1 1 1 1 1 1 2323 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 1613 1579 2400 2516 1 1 1 1 1 1 759.4801 *759.5813* 759.5813@5.1159472 7346 7003 11306 11908 17850 17939 27505 27611 16280 15272 16245 15938 16666 16504 18229 17728 19336 20175 22406 23255 21289 22150 18509 18135 10200 9989 9634 9320 25778 24630 28457 27628 23087 21917 27887 28812 28450 29112 24625 26377 30091 30388 20806 20144 16669 15478 17683 18184 17261 16949 32130 29775 5931 25386 13907 14005 3534 3322 49711 49605 21540 22286 26007 27239 35972 32834 2687 2957 27429 28105 43789 47827 14934 15188 8663 8612 15766 17165 18659 18105 17572 17273 30832 29702 10652 10685 35969 35702 35020 35569 759.5813 *759.5825* 759.5825@5.132107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 759.5825 *760.2156* 760.2156@0.9873446 8917 8916 13114 13386 9825 9634 9301 8880 24783 24517 3290 3462 4694 4989 3935 4444 3370 3320 3213 3771 7885 9196 1 7599 8037 8594 2764 2925 2545 2178 8878 9353 7019 6655 7850 7635 6741 6698 21211 18860 3392 2857 4504 4041 2494 2501 2585 3467 2617 3064 1 6174 6307 6092 6484 5854 6509 6452 6555 5211 5331 5651 6475 6224 5929 5885 3963 3973 11105 10296 1 1 2839 1 2208 2143 2077 2477 1883 1577 4101 4660 4576 4363 4646 5425 5468 4793 1972 1 760.2156 *760.5874* 760.5874@5.123095 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 760.5874 *761.2136* 761.2136@0.98749506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.2136 *761.4562* 761.4562@4.970562 1 1 3656 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.4562 *761.4955* 761.4955@1.1420065 1 1 3528 1 1630 1693 2009 1873 1579 1866 8206 1 1571 1451 1 1 1268 1051 1 1 1 1 3192 2939 3071 2905 3987 6175 2207 2489 1 1076 1 1 2654 2380 4656 4686 1048 1717 6728 6209 1181 1604 5352 4087 1 1 1 1 1 1 2178 2162 5488 5077 1 1 1 1 2412 2562 1 1 1 1 1 1 1 1 1 1 1644 1358 1 1 1 1438 1 1 3316 3730 6742 4738 1 1 2630 2610 1 1 761.4955 *761.9556* 761.9556@4.974565 1 1 2185 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 761.9556 *762.4985* 762.4985@1.1415007 1 1 1 1175 1 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 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 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 1 762.4985 *763.508* 763.508@1.203615 1 1 11166 11804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7454 8410 1 1 1 1 1 1 1 1 1 1 1 1 6241 6595 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2780 2762 1 1 1 1 1 1 5832 5549 1 1 1 1 1 1 1 1 1 1 1 1 763.508 *764.4925* 764.4925@5.2713847 1 1 1469 1752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 764.4925 *765.0014* 765.0014@5.273675 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.0014 *765.4965* 765.4965@6.8504853 1 1 3004 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.4965 *765.503* 765.503@5.217481 1 1 16790 376995 23066 22633 4068 4388 1 1 1 1 15711 16172 1 1 2951 2693 7478 7364 1 1 1 1 5248 132618 1 1 1 1 120748 119633 1 1 1 1 1105 11511 1 1 4339 4531 8413 8169 100977 101726 4951 4880 1 1 1 1 8814 8751 1 1 1 1 1 1 5031 4955 10251 9946 11604 12358 1 1 15943 140747 115012 115534 1 1 1 1 82068 83705 3364 3117 1 1 1 1 1 1 1 1 1 1 765.503 *765.5042* 765.5042@5.136508 1 1 373826 12136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 134120 5950 1 1 1 1 5893 6333 1 1 1 1 10856 1 1 1 1 1 1 1 4639 4308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5287 6988 5907 4886 1 1 1 1 2042 3448 1 1 1 1 1 1 1 1 1 1 1 1 765.5042 *765.5057* 765.5057@5.260584 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 124255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.5057 *765.5204* 765.5204@2.1216245 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.5204 *765.5219* 765.5219@2.3153772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10041 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 7270 1 1 1 1 1046 1 1 1 1 1 1 2295 1 1 12940 1 1 19511 1 1 1 1 21444 1 1 1 1 1 1 1 1 1 1 6154 1 1 765.5219 *765.522* 765.522@1.4316643 1 1 8961 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5467 4620 1 1 1 1 6335 2901 1 1 1 1 1 1 1 1 1 1 1 1 765.522 *765.5223* 765.5223@1.260579 1 1 1 1 1990 1967 1 1 1 1 1 1 2479 2748 1 1 1 1 3263 1631 1 1 1 1 9969 10184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2004 1 1 1 2359 1 3355 2862 1 1 1 1 1 1 1 1 1 1735 1 1056 1 1 7115 6692 9947 10448 1 1 1 1 2142 1805 3208 1 2726 2901 1 4124 1 1 1 1 1 1 765.5223 *765.5223* 765.5223@1.3750255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.5223 *765.5224* GPEtn(18:1(11Z)/18:1(9Z))[U] + 2.269305 1 1 1 1 1 1 1 1 1 1 1 1 3773 3345 1 1 1 4301 1 1 1 1 1 1 8960 2895 1 1 1 1 1 1 14207 3546 1 1 1155 1044 1 38452 1 5743 1 7479 1 1 1810 2576 1 1926 6447 6959 5498 1216 3276 1 1 1 2543 7433 10702 7321 1 3681 9452 5065 1 5190 2665 1 13757 2656 1 2939 1 1 4970 19384 1 3444 4387 3908 6365 5351 1 1 2806 4685 1 4870 765.5224 *765.5226* 765.5226@1.874346 1 1 1 1 1 1 7604 1 14912 1 1 9879 1 1 1 1 1 1 1 1 1 1 1 11003 1 1030 9510 12166 1 34616 58197 1 1 32753 13584 1 9842 1 1 1 1 30498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19113 1 1 15789 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.5226 *765.523* GPEtn(18:1(11Z)/18:1(9Z))[U] 1 1 4805 13868 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 3425 1 1 1 1 4297 3283 1 1 1 1 1 10871 1 1 1 1 1 1 1 1 1 2158 9964 1 4813 6529 1 1 1 1 116358 79735 86263 99203 50174 1 17115 1 1 7791 118337 125170 1 1 1 79959 1 63117 6280 8580 264886 272301 1 1 1 1 339648 347772 87677 97483 75368 73255 1 111551 25286 26994 45941 50131 1 61832 765.523 *765.523* GPEtn(18:1(11Z)/18:1(9Z))[U] + 2.4521847 7683 7208 87702 91649 17376 16497 8738 9610 7928 7916 7541 5502 17065 16762 14147 10413 10318 6118 13365 14234 9770 7598 7162 6367 39591 37746 9865 8545 9588 11961 62370 67603 5771 10714 6698 7416 6957 7268 5559 7913 18372 5547 7110 5362 45468 40517 10997 8515 12957 14026 17960 4958 19210 18539 13101 13242 1 1 11736 1054 23301 23391 18159 22594 18138 18978 7463 11596 63461 61195 41642 41174 7401 7638 4042 6511 50225 49488 14671 14290 10774 10757 14234 18846 2590 2697 9057 2914 8513 11419 765.523 *765.5231* GPEtn(18:1(11Z)/18:1(9Z))[U] + 1.866684 1 1 361098 379862 41821 83722 19235 36502 16334 43419 38912 11515 62357 76443 71911 63783 46977 47532 75831 62335 23084 37247 23763 15454 162055 172184 10651 13635 49468 11303 199756 284559 54422 36376 14613 38964 13043 8914 47757 1 72799 35502 25262 12311 174396 206779 49855 51724 52768 48558 1 1 1 1 1 70591 1 3766 48950 39747 1 1 83298 105907 79950 3274 1 1 277513 260483 1 1 10223 36039 18643 1 1 1 1 1 1685 1 70240 1 1 1 1 1 1 1 765.5231 *765.8268* 765.8268@6.855525 1 1 2681 2419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 765.8268 *765.9783* 765.9783@4.327544 1 1 1328 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 6424 6392 1 1 1 1 1 1 1 1 1 1 1 1 2403 2635 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6647 6497 1 1 1 1 1 1 1725 1361 1 1 1 1 1 1 1 1 1 1 1 1 765.9783 *766.0029* 766.0029@5.1295877 1 1 11008 10092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3107 1 1 1 1 1 3776 3535 1 1 1 1 1 1 1 1 1 1 1 1 2065 2616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3046 1 1 1 1 1 1 4638 3832 2709 3154 1 1 1 1 2002 2237 1728 1 1 1 1 1 1 1 1 1 1 1 766.0029 *766.0035* 766.0035@5.294687 1 1 3985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 766.0035 *766.0063* 766.0063@5.2234325 1 1 251011 252849 15623 14914 2893 2305 1 1 1 1 10344 11174 1 1 1767 1517 4628 4886 1 1 1 1 89904 92404 1 1 1 1 81819 80331 1 1 1 1 7665 8064 1 1 2334 2037 5645 5050 67271 66658 2765 2592 1 1 1 1 5844 5915 1 1 1 1 1 1 3275 1 6764 6451 8007 7560 1 1 93163 103190 78200 77185 1 1 1 1 52774 55227 1 1 1 1 1 1 1 1 1 1 1 1 766.0063 *766.159* 766.159@6.854005 1 1 1630 1374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 766.159 *766.2804* 766.2804@1.059812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 766.2804 *766.3233* 766.3233@5.2236505 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 1 1 1 1 1 1 1 1 766.3233 *766.4814* 766.4814@4.3223224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4521 4698 1 1 1 1 1 1 1 1 1 1 1 1 1805 1423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4457 4291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 766.4814 *766.4912* 766.4912@1.1977133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24401 24545 1 1 1 1 1 1 1 1 1 1 1 1 8152 8295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1901 2353 1 1 1 1 1 1 22556 21918 1 1 1 1 1 1 6659 6834 1 1 1 1 1 1 1 1 1 1 1 1 766.4912 *766.5044* 766.5044@1.2020264 1 1 8059 9108 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 766.5044 *766.5262* 766.5262@1.9151182 1 2337 1 1 2364 1 11019 1 1 1 1 10485 1 1 1 1 1 1 1 1 11890 1 4094 14844 1 1 12827 16705 1 6300 1 1 10834 1 13578 1 14026 10720 1 2395 1 1 1602 9190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1008 1 1 1 17213 1 1 1 1603 1 1 1 1 1 1 1 1 1 1 1 1 1 766.5262 *766.5263* 766.5263@1.6758991 3743 4450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11585 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4078 1 1 1 1 1 1 1 1 1 1 3686 1 5017 1 766.5263 *766.5265* 766.5265@1.8017464 5523 2714 1 1 20483 1 1 1 16532 1 1 1 1 1 1 1 1 1 1 1 3579 1 7736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8755 1 1 1 1 1 1293 1 1 1 1 1 1 9543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5840 1 1 1 1 1 1 1 1 1 1 1 1 11565 1 766.5265 *766.5268* 766.5268@2.3400116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7085 1 1 1 7539 1 1 1 1 1 4263 3050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1523 1 1640 4454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 766.5268 *767.1908* 767.1908@1.9469603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1321 1435 1 1 1777 3562 1 1 1 1 1510 3156 1 1465 1083 2125 1 1 2367 1032 1 1 1 1 1 1 1 1 1889 1213 767.1908 *767.2337* 767.2337@5.2159667 1 1 1 2578 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.2337 *767.4495* 767.4495@4.5133963 1 1 1 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.4495 *767.5286* 767.5286@1.7716507 1 1 1 2136 2558 1 1 1 1 1 1 1 1081 1525 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 13920 1 1 3268 1 1 1 1 1 7991 1812 1 1 3327 1237 1 1 1 1 1 8270 2818 1 6256 1 1 1 1 1 1 1 1 1 2167 2887 2285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.5286 *767.5294* 767.5294@1.884839 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 9285 1 1 1 1 1 1 1 2009 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 2688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.5294 *767.7229* 767.7229@5.22265 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 767.7229 *767.985* 767.985@5.2167616 1 1 19936 19235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6795 7089 1 1 1 1 6503 6470 1 1 1 1 1 1 1 1 1 1 1 1 4946 5009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6687 1 6442 5518 1 1 1 1 4024 4234 1 1 1 1 1 1 1 1 1 1 1 1 767.985 *768.1929* 768.1929@1.9475116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1287 1 1 1367 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 768.1929 *768.4835* 768.4835@5.216063 1 1 12339 14627 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4273 4467 1 1 1 1 4248 3469 1 1 1 1 1 1 1 1 1 1 1 1 2954 3245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4691 4158 3306 4684 1 1 1 1 2230 2256 1 1 1 1 1 1 1 1 1 1 1 1 768.4835 *768.531* 768.531@1.875274 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 5172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 768.531 *768.5411* 768.5411@4.9869685 4710 4923 4529 1 1 5002 1 4371 4537 1 5049 1 3946 4757 1 1 5394 4561 1 1 1 4159 4477 4600 1587 1 4756 5127 1 4004 1 1 4980 4881 1 4745 3918 4763 5458 1697 1 1 4888 1 6205 1 1 5901 1 5450 5294 1 5414 1 1 1 5904 1 1 1 1 3627 1 1 1 1 1 3143 1 1 1 3297 2781 1 1 2947 1611 2683 3426 3479 3335 2866 2955 1 2655 2942 1 1 1 1 768.5411 *768.5475* Distearyl phosphatidyl ethanolamine 2141 2633 2620 4721 4994 2827 7282 2968 1771 6497 1780 4767 3065 1928 5442 8184 2076 2755 7250 6245 4964 2493 2653 2294 4645 6732 2419 2266 4914 1712 5365 4654 1800 2314 5239 2203 2050 2654 1875 4042 4243 6220 2122 4431 2531 5619 8315 2802 7910 3274 3168 3700 2994 5210 5213 5903 3435 9536 5937 5869 3089 1915 3966 3411 3595 2885 3348 1448 3388 3588 3098 2086 1697 3170 4501 1344 3532 1267 1525 2018 1014 1482 1525 3307 1535 1927 2574 3146 5022 3228 768.5475 *768.549* 768.549@5.0464716 1 1 1 2622 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2694 1 1 1 1 1 1 1 2074 1 1 1 1 1 1 1 1 1 1 1 2819 1 1 2701 1 3816 1 1 1 1 1 2249 1 2342 3172 2119 1 1 2764 2854 1 1 1 1 1355 1817 1 1 1643 1446 1 1 1 1 1 1 1 1 1 1 1 1 1 1380 1 1 1894 1515 1 1 768.549 *769.0471* 769.0471@4.992332 1812 2942 2014 2684 1636 2603 1579 4792 1588 4465 1475 2806 2930 1841 4776 5157 3045 2945 2976 1226 2641 2697 4237 2464 1637 2731 4444 4273 3012 2479 2586 2923 2264 2420 2764 2544 2307 2688 4337 2448 2703 2789 2392 4390 3337 5259 3376 3460 5477 5367 3210 3292 3554 3053 1780 5304 2674 5842 3450 3019 2050 2296 1974 1898 1838 2089 1714 1131 1839 2687 1 2100 1 2016 2849 2018 2154 2282 1982 2144 1783 1744 1937 2309 1795 2040 2101 2046 2106 2342 769.0471 *769.0483* 769.0483@5.027051 2888 1624 2666 1560 2832 1 2903 1 2743 1 2707 1515 1386 2968 1 1 1584 1561 1474 3155 1338 1 1 1897 2512 1720 1 1 1 1499 1 1622 1 1 1417 1691 1441 1742 1 1544 1 1 1653 1 1 1 1784 2173 1 1 1758 1839 1875 1 3184 1 3142 1 2078 2164 1 1 1 1 1 1 1 1767 1442 1 1 1 1 1 1 1119 1 1 1 1 1 1 1 1 1 1 1 1 1 1153 769.0483 *769.4969* 769.4969@1.0911928 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 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 1647 1 1 1 1 1 1 1 1 1 1 4183 1 1 1 1 1 1 1 769.4969 *769.5454* 769.5454@4.996855 1 1 1 1 1 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 1442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.5454 *769.852* 769.852@5.492745 1 1 18113 1 1 17875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.852 *769.8553* 769.8553@5.4881773 17319 16630 1 17054 17447 1 17434 17839 18216 17573 17429 17636 16854 17430 17410 16990 16273 17153 17358 16899 17571 18191 17833 17556 16552 16671 17035 17790 16245 16124 17138 17536 18485 17279 17233 16780 16221 17010 17885 18287 18586 17901 16971 17034 17213 17512 16669 16727 17807 17868 25011 24757 21501 21076 20145 19769 18360 18757 18709 17952 24775 23271 18135 18437 21380 21057 21242 22053 17606 17828 27247 27863 17809 17057 19130 19909 25278 26309 24048 25585 27342 27101 25883 25813 25864 25799 24821 25053 21046 20947 769.8553 *770.3636* 770.3636@5.489496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1026 1081 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 1317 1 1226 1 1159 1 1 1 770.3636 *770.4597* 770.4597@5.228956 1 1 3779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 770.4597 *770.4766* 770.4766@1.9822055 1 1 17880 15383 3799 1 1 2192 1 2099 1 1 1 1 1 2221 1832 1 1 1622 1 1113 1 1 2180 1 2508 1251 2339 1 1 5614 2627 1164 1 1 1 1 1 2419 3082 1715 1 2069 8342 4160 1 1 2520 3014 1 1 1 1 1 1 1 1 1 1 1 1 3797 1 1 1 1 1 11626 12191 1 1 1 1365 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 770.4766 *770.9608* 770.9608@5.21931 1 1 2243 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 770.9608 *771.267* 771.267@0.968419 16935 17361 23611 23789 21048 20618 20077 20038 20670 20921 16140 16927 23224 22064 9281 22040 13343 13058 17219 18015 20080 19390 18939 19391 18210 17715 19552 17320 16053 15878 16453 14985 13507 14098 6710 16324 13520 14221 14514 16886 13569 13221 16877 17311 14103 15462 14159 14337 12310 12268 4844 10644 11943 11600 10378 11217 11359 4659 14010 14754 8801 8280 10075 10301 9260 9420 1 5657 10225 10418 4798 4238 9110 8915 4291 10931 5981 6468 3058 8285 8839 8396 8666 7679 8285 8336 9527 9441 9329 11882 771.267 *771.4755* 771.4755@5.218973 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 771.4755 *771.5048* 771.5048@1.1184399 2681 3227 4531 3794 4799 3726 3388 4115 4958 5041 3487 4084 2240 4990 5438 5553 4465 3600 4409 4653 2847 2015 4815 5103 3006 2535 1779 3005 2268 3641 2542 5185 3664 4486 5956 6024 2860 2279 4219 3415 3392 4477 3717 4257 1636 2386 3767 2260 3641 3313 4605 3883 3624 3025 4269 5397 1 2052 4407 3733 2003 3095 4028 3737 1435 1610 1969 1 1 2020 2337 2467 1088 3447 2121 1 1602 2028 1 1 1519 1 1 4218 1 1 1532 1248 3689 2885 771.5048 *771.6044* 771.6044@1.3431482 3313 2383 1 1759 2378 2115 1 1 1 1 2051 1 2582 2270 1 2388 1 1 2008 1934 1 1 1840 2253 1975 1 1 2433 2119 1 1 2226 1 1598 1 1 1 1 1 1 1 2391 1 2517 3296 2683 4028 3439 3595 3067 6127 1 3433 1637 1555 4004 4674 5224 2744 4239 1 1 1 1 1 1 1 1 1 1 1 2237 1 1 1 1 2562 2694 1 2610 2220 2165 1 1990 1 1 1 1 1 1 771.6044 *771.6053* 771.6053@1.3431867 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 4549 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 1 771.6053 *772.268* 772.268@0.96829736 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7668 1 1 1 1 1 1 8152 1 1 1 1 1 1 1 1 4048 1 1 1 1 1 1 1 7283 1 1 1 5165 1 1 1 1 1 1 1 1 1 1 1 772.268 *772.3726* 772.3726@1.1246921 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 772.3726 *772.5114* 772.5114@5.1864266 1 1 22224 22995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6926 6516 1 1 1 1 7285 7240 1 1 1 1 1 1 1 1 1 1 1 1 5758 5310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8577 8520 6864 6373 1 1 1 1 4771 4734 1 1 1 1 1 1 1 1 1 1 1 1 772.5114 *773.0128* 773.0128@5.1856375 1 1 14897 15458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4397 4347 1 1 1 1 5011 4586 1 1 1 1 1 1 1 1 1 1 1 1 3551 3450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5900 5772 4461 4034 1 1 1 1 2847 3209 1 1 1 1 1 1 1 1 1 1 1 1 773.0128 *774.2652* 774.2652@0.9700112 3239 3256 6124 2976 4181 4276 4229 3817 5660 4206 1 1 4157 4710 1 4405 2546 2338 3414 3108 4486 4998 3504 3406 3489 3434 1 3443 3255 2835 2814 3782 2343 2604 1 2877 2230 2560 3273 1 2630 2828 3925 4083 2817 1 2761 1807 2541 2337 1 1206 1712 2104 1802 2215 1717 1 2948 2772 1 1134 1278 1 1789 1248 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1050 1350 1 1040 1 1192 1178 1063 1896 1 774.2652 *774.4528* 774.4528@1.0841775 1 1 1 1 1929 1 1 1768 1 1 1 1 1 1 1 1 1 1 1 1 1599 1662 1 1 1628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1753 1 1 1 1 1 1172 1 2856 1 1 1 1 1 2446 1 1 1 1 1 1 1607 1 1 1 1 1 1 1644 1 1 2069 1 1 1 1 1 1480 1 1 1 1 3046 1 1 1 1606 1 1680 1 774.4528 *774.4782* 774.4782@7.385425 1 1 5881 6769 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3055 3001 1 1 1 1 3355 3070 1 1 1 1 1743 1285 1 1 1 1 1197 1354 3609 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4145 4075 2413 2389 1 1 1 1 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 774.4782 *774.9779* 774.9779@7.3851027 1 1 3385 3591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1743 1930 1 1 1 1 1730 1971 1 1 1 1 1 1 1 1 1 1 1 1 1990 2307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2164 2339 1246 1366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 774.9779 *775.2449* 775.2449@0.98715353 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 1 1648 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 1 1 775.2449 *775.2613* 775.2613@0.971819 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.2613 *775.4756* 775.4756@1.1541892 1 1 1 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 1 1 1 1 1 1 1 1 1 1 775.4756 *775.5629* 775.5629@2.3124506 1 1 1 1 1 1 1 1 1 1 1 2409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 775.5629 *776.5414* 776.5414@5.1377935 1 1856 2387 1737 1 1691 1183 1490 1 1 2088 1 1076 1620 3547 3317 1590 1 1019 1953 2841 1667 1 1 1 1 1 3061 2529 1 1 1 1 1 1 1 1 1 2833 1 1058 1 1281 2031 1 2822 2646 1715 1 1947 1001 2208 1 1 1 1 3238 1799 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 1 776.5414 *776.5465* 776.5465@5.15473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 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 1 1 1 1 1 1 1 1 1 1 1 1 776.5465 *776.8674* 776.8674@5.4898043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 776.8674 *777.0441* 777.0441@5.1193614 1 1 1 1 1 1 1 1 1 1 1404 1 1 1 1 2429 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 1 1 1 1 1 1 1 1683 1 1 1 1072 1789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 777.0441 *777.4932* 777.4932@1.1440076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1152 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 1 777.4932 *777.574* 777.574@1.2049105 1 1 1 1 1 1 1 1 1 1161 1 1 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 1003 1313 1 1 1 1 1 1 1 1 1 1734 1119 1138 1000 1 1576 1 1 1425 1269 1444 1 1275 1249 1527 1536 1 1 1 1042 1517 1381 1 1 1 1 1 777.574 *777.9092* 777.9092@1.2046556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1097 1123 1 1 1 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 1383 1151 1130 1228 1150 1176 1310 1162 1199 1 1136 1072 1248 1371 1018 1130 1400 1095 1072 1 1091 1010 1146 1096 1069 1087 1 1 777.9092 *778.2405* 778.2405@1.2045674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1010 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 778.2405 *779.5215* 779.5215@1.2089908 1 1 2084 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.5215 *779.5372* 779.5372@2.3996813 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 1 1 1 1 3414 2908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.5372 *779.5372* 779.5372@1.2075566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.5372 *779.5377* 779.5377@1.7646 1 1 6368 12797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3269 9121 1 1 1 1 1 1 1 1 1 1 1 1 1 5948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6105 8002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.5377 *779.5387* 779.5387@1.83356 1 1 17118 6813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11797 1 1 1 1 1 1 1 1 1 1 1 1 1 9341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7327 5911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.5387 *779.5393* 779.5393@1.5613698 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 7088 1 1 1 1 1 4725 1 1 1 1 1 1 1 1 1 1 1 1 1 3782 1 1 1 1 3645 2122 1 1 1 1 1 1 1 1 4008 4009 1 1 1 1 1 1 1 1 12939 12416 1 1 1 1 16006 16367 1124 2561 1 1 1 2740 1 1 1 1 1 1 779.5393 *779.6301* 779.6301@5.031566 1 1 1 1 1 1 1 1 1 1 1677 2121 1 2185 1 1 1 1865 1 1 1842 1 1 1 2497 1 1 1 1 1 1 1 1 1568 1 1 1988 1 1 1612 1 2145 1 1 2396 2941 1 1 1935 1 1 2200 1 1 1 2604 2378 1 1622 1 2262 2011 2302 1 1 1 1 1 1 2413 1676 2633 1 2671 1861 3061 1 2433 2551 1947 1 1 2452 2935 2385 1189 2077 2536 2977 1 779.6301 *780.166* 780.166@6.931097 1 1 1513 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 1 780.166 *780.3549* 780.3549@1.0845641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1134 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 780.3549 *780.4486* 780.4486@1.1141144 1555 1 1861 1 2344 2339 1631 2107 2128 2298 1594 1448 3113 2612 2778 2216 2438 2184 2418 2631 2344 2217 2049 2580 1434 1687 2477 2035 1676 2121 2108 2765 2077 2665 1 1 1584 1901 1 1 1834 2065 1774 2252 1 1 1214 1156 2045 1782 1447 1646 1850 1802 1805 2611 1070 1 2030 1047 2199 1929 2452 2499 1910 2265 1816 1680 2557 2473 2060 2420 1810 2259 1752 1846 2448 2515 1872 1370 1948 2111 2030 2006 1389 1 1 1643 1756 1728 780.4486 *780.4985* 780.4985@1.0759515 1487 3638 5077 5817 8176 8435 5484 5794 6645 6760 6227 7389 1 3635 5511 8510 7628 7049 5704 6532 8494 8212 5134 5966 8122 7795 4689 4960 8499 4745 1069 2629 8790 9287 1 1410 1 1 1 5435 10001 9914 4344 4372 5155 1 2858 1 12561 12631 16425 16513 9787 9054 13435 12976 1 1 16711 4882 3853 3581 4618 1 9155 4876 1 3287 6560 6184 8450 7081 1 4058 1 1 4210 4284 5431 4920 1 3693 11128 6942 1 1 6836 4619 1923 1 780.4985 *780.5033* 780.5033@6.9321046 1 1 1902 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 1 1 1 1 1 1 1 780.5033 *780.5074* 780.5074@5.3615746 1 1 7189 7518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2542 2569 1 1 1 1 1804 1712 1 1 1 1 1 1 1 1 1 1 1 1 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 2461 1 1794 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 780.5074 *780.5114* 780.5114@1.1563307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1343 1 1 1 1 1 1 1 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 1149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 780.5114 *780.5411* 780.5411@1.8066381 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 2598 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5730 5642 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 780.5411 *780.5413* 780.5413@1.685848 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 780.5413 *780.8369* 780.8369@6.9332805 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 780.8369 *780.9866* 780.9866@0.8339938 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1171 1 780.9866 *781.0068* 781.0068@5.3644085 1 1 4781 5039 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1568 1493 1 1 1 1 1175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1239 1348 1463 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 781.0068 *781.5655* 781.5655@5.094555 1 1 1 1 1 1 1052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 3934 1 1 2757 1 1 1 1469 4677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4840 6584 1 1 781.5655 *781.5691* 781.5691@5.048636 1 1270 2410 2103 2383 2078 4892 8656 2411 2812 2799 2381 3051 3093 2721 2695 2729 2244 2788 2306 4450 3932 1562 1628 1 1 1632 1 4532 3757 3708 5957 2758 2891 4830 3202 3070 2295 4532 3791 3401 3433 2693 2535 3981 4035 3498 3171 1955 1958 3445 3673 4602 4414 1701 1721 1 1 5119 4960 6703 6312 3219 3665 4873 4708 1 1 4234 4221 4861 7204 3922 2677 1559 2003 2508 2818 1151 1383 2458 2152 3562 3862 1 1 4445 4284 6768 8419 781.5691 *782.4785* 782.4785@1.1318997 1 1 1 1 1830 2082 1 1 2045 2135 1364 1341 3055 3013 2585 2715 2457 2230 1913 2113 1 1 2078 1612 1 1 1 1 1592 1825 2069 1 1 1 1385 1 1 1 1 1 1444 1325 2089 1813 1 1 1 1 1 1 2281 1 1761 1632 1547 1 1 1 1748 1 1683 1 2544 1834 1 1 1 1 1 1 1963 1930 1125 1 1 1 2373 1 1 1 2414 2064 1898 2186 1 1 1 1 1624 1 782.4785 *782.4927* 782.4927@1.0015551 16304 16059 28481 28666 12474 11900 11468 12686 14451 12848 13536 14432 13763 13483 14887 14423 14113 13680 13387 12682 27997 27590 13948 12735 12355 12065 26241 26473 13526 14424 11902 9969 11255 11636 14175 14226 13531 14115 11506 11045 11053 10619 17615 18375 12545 12968 15019 15037 15181 13702 29764 30260 11414 11522 32593 33322 12692 11009 39449 39850 10592 10829 13290 14295 12922 12201 11291 11468 9286 10432 15754 17608 14297 13813 31147 29373 22344 23415 28140 28882 45052 45962 35047 34297 31058 32312 16577 17631 15691 16001 782.4927 *783.4692* 783.4692@5.0586286 1 1 3343 3113 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.4692 *783.4824* 783.4824@5.3834386 1919 1 1 1 1 1 6381 1 1 6252 5616 1 1 1 1 1 1 2903 1 1 1746 1 1 1 1 1 1 1 1 1 1 18560 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1114 1 1 1 1 1 1 1 1 3794 7419 7287 1 1 7821 7624 1 1 1 1 1 14903 2538 2206 1 1545 1 11959 1 8097 1 1 1 1 1 1 1 1 1 1 783.4824 *783.4834* 783.4834@5.3967533 1 1 1 25308 8447 8606 1 6524 6240 1 1 5027 1 10276 1 1 2598 1 5688 1993 1 2034 1 1 13815 1654 3601 3798 3479 3668 1 1 1 1 1 3264 7538 7000 5463 4979 3988 5128 9561 9019 1 19459 7466 8171 4706 4556 1 1603 7837 7597 2466 2456 3959 4353 3223 1 1 1 5375 5559 1 1 1 1 1 1 15580 1 1 1 2147 1 2699 2261 1271 1710 1 1 1568 1675 3459 3308 2835 2655 1 1 783.4834 *783.579* 783.579@5.075248 1 1 1 1 1 1 7349 1 1 1 1 1 1 1 1 1 1226 4286 1 1 6662 1 1 1 1 1 1 1 1 1 1624 1 1 1 1 1 1 1 1329 1 1757 1 1 1 6528 2364 1 1 1 1 1 1 1 1 1 1 1 1 2460 2105 9376 8508 1 1810 7226 7384 1 1 2176 6243 2645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9735 1 783.579 *783.5835* 783.5835@5.0875216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.5835 *783.867* 783.867@5.4881063 1 2007 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 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 1 783.867 *783.8735* 783.8735@5.4882035 1811 1 1787 1812 1758 1755 1705 1 1709 2076 1689 1720 1960 1702 1808 1915 1716 1773 1842 1719 1740 1780 1927 1 1656 1682 1806 1745 1607 1681 1699 1868 1597 1891 1493 1933 1508 1739 1838 1919 1574 1894 1 1691 1389 1527 1909 1572 1899 1758 2991 2747 2033 2458 2261 1973 1897 2024 2062 1663 2923 2904 1644 1824 2465 2289 2524 2424 2059 1689 3621 3350 1589 1763 2300 2044 3241 3206 3018 3575 3557 3262 3229 3087 3449 3234 3295 3107 2164 2472 783.8735 *783.9717* 783.9717@5.0566273 1 1 1903 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.9717 *784.3625* 784.3625@1.1679863 1 1 2494 2894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1015 1712 1 1 1 1 1976 2044 1 1 1 1 1 1 1 1 1 1 1 1 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 3025 1374 1381 1 1 1 1 1 1083 1 1 1 1 1 1 1 1 1 1 1 1 784.3625 *784.4407* 784.4407@3.958339 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 2109 1 1 1 1 6442 6328 1 1 1 1 1 1 1 1 1 1 1 1 1111 2835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2414 1 1 1 1 1 1 1 8226 7828 1830 1310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.4407 *784.4416* 784.4416@3.947655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.4416 *785.5964* 785.5964@5.0805693 1338 1 3170 2991 4197 3863 1 7448 3460 3369 4024 4073 3610 3417 1862 4020 4423 1 4241 4835 1 4978 3338 3004 2686 2717 2570 2623 5364 5071 6932 5665 5660 4606 5478 4743 4825 2654 6246 5784 7645 1 3825 4615 1 4863 3704 3877 1563 3601 6010 7131 5141 4878 1 1 1 1 8433 10559 1 1 6304 3598 1 1 1 1 7405 1 8386 8147 4117 3981 1 1 3352 3904 2848 3004 2689 3559 5699 5413 1132 1 7779 9065 1 7431 785.5964 *786.5023* 786.5023@5.384064 1 1 1736 1988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 786.5023 *787.0047* 787.0047@5.3854046 1 1 1 1023 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.0047 *787.4996* 787.4996@1.1270189 1 1 7333 7543 1 1 1 1 1 1 6780 11210 1 1 1 1 1 1 1 1 1 1 1 2853 3100 5494 14581 14976 2249 1 1 1 1 1 2949 2803 6467 13955 1 1 3460 3012 1 1 8305 14528 1 1 1 1 1 1 1 1 6573 3842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6787 3585 12607 11883 1 1 1398 1727 1 1 787.4996 *787.5124* GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U] 1 1 324343 323193 19358 19477 3505 3855 1 1 1 1 11905 12654 1 1 1968 2379 6390 5921 1 1 1 1 119763 118381 1 1 1 1 101895 100906 1 1 1 1 10428 11284 1 1 3604 3130 6889 7000 86227 85531 2899 3633 1 1 1 1 7073 6666 1 1 1 1 1 1 3983 3775 8260 8276 10312 9690 1 1 115274 115825 98371 99181 1 1 1 1 69740 70175 2121 2656 1 1 1 1 1 1 1 1 1 1 787.5124 *787.515* 787.515@5.216705 1 1 14511 14419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4874 4742 1 1 1 1 4792 4518 1 1 1 1 1 1 1 1 1 1 1 1 3252 3422 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4972 5325 3931 4004 1 1 1 1 2712 2529 1 1 1 1 1 1 1 1 1 1 1 1 787.515 *787.6003* 787.6003@1.5373782 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4335 3822 1 3032 1 1 3808 1 1 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.6003 *787.6018* 787.6018@1.1872525 3055 2182 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.6018 *787.6111* 787.6111@5.083691 1 1 1 1 1 1 2573 1 1 1 1 1 1 1 1662 1 1 1277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3298 1 1 1 3374 1 1 1 1 1 1 1197 1 1 1 1 1 1101 1 1 1 1 1 1 1 1 2428 3079 3057 1 1 1 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.6111 *787.9913* 787.9913@4.418482 1 1 1179 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 6166 6031 1 1 1 1 1 1 1 1 1 1 1 1 2347 2589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6531 5926 1 1 1 1 1 1 1608 1 1 1 1 1 1 1 1 1 1 1 1 1 787.9913 *788.0178* 788.0178@5.325426 1 1 223546 223075 14311 13930 2207 2377 1 1 1 1 8545 8455 1 1 1 1483 3789 4187 1 1 1 1 2804 3044 1 1 1 1 72225 70004 1 1 1 1 7998 7511 1 1 2082 2093 4528 4240 57343 58818 2379 2195 1 1 1 1 4176 4822 1 1 1 1 1 1 2530 2517 5716 5044 6912 6938 1 1 80462 79064 65676 66824 1 1 1 1 47018 48768 1310 1360 1 1 1 1 1 1 1 1 1 1 788.0178 *788.0189* 788.0189@5.2328644 1 1 1 10130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83007 86678 1 1 1 1 2613 2494 1 1 1 1 1 1 1 1 1 1 1 1 2172 2014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3431 2401 2544 1 1 1 1 1838 1602 1 1 1 1 1 1 1 1 1 1 1 1 788.0189 *788.3396* 788.3396@5.324232 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 788.3396 *788.4925* 788.4925@4.417084 1 1 1 1 1 1 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 3679 1 1 1 1 1 1 1 1 1 1 1 1 1444 1252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3921 3601 1 1 1 1 1 1 1 1138 1 1 1 1 1 1 1 1 1 1 1 1 788.4925 *788.6175* 788.6175@5.0848284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 788.6175 *789.0162* 789.0162@5.2236505 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 789.0162 *789.5145* 789.5145@1.1394895 1 1 1 1 1173 1 1875 1898 1411 1587 7149 1 1 1 1 1 1 1 1 1 1 1 2256 1 3503 1 1 1 1 1742 1 1 1 1 1 1 7340 1 1771 1122 3714 6216 1372 1430 7186 1 1 1 1 1 1 1 1723 1898 1 4692 1 1 1 1 2268 2091 1 1 1 1 1260 1 1 1 1 1 1632 1660 1 1 1 1 1 1 1 4573 1 1 1 1 2668 2879 1 1 789.5145 *789.7449* 789.7449@5.329707 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 789.7449 *789.9985* 789.9985@5.3227897 1 1 18624 19192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7096 1 1 1 1 1 5856 5850 1 1 1 1 1 1 1 1 1 1 1 1 4857 5021 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6764 7020 5519 6079 1 1 1 1 3736 3803 1 1 1 1 1 1 1 1 1 1 1 1 789.9985 *790.4961* 790.4961@5.323836 1 1 12530 11331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4333 4352 1 1 1 1 3410 3503 1 1 1 1 1 1 1 1 1 1 1 1 3420 2765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4630 3745 3066 3595 1 1 1 1 2113 2436 1 1 1 1 1 1 1 1 1 1 1 1 790.4961 *790.5161* 790.5161@1.1405433 1 1 1 1 1 1 1 1 1 1 1 2710 1 1 1 1 1 1 1 1 1 1 1 1 1 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 1 1 1 1 1 1 1 1816 1 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 1 790.5161 *790.5602* 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 4077 1192 3677 3041 1043 1933 4100 4474 2745 3190 1653 1960 2488 2712 3323 4426 3183 1195 4012 3340 3391 2287 2442 1 2875 2757 4361 2091 1592 2994 3394 2346 2520 3292 2248 3571 2824 2128 1520 2234 2617 1581 2627 4000 2021 2537 3445 3944 2844 3452 1677 5431 3344 1492 4988 4888 5007 2359 3555 1 1 1 1 1591 1 1 1487 1 1 1 1697 2056 1 2101 1 1 2246 1 1 2086 1 1667 2565 1513 1 1967 1925 3002 1670 3382 790.5602 *790.5608* 790.5608@5.0966716 1 2600 1 1 1512 1318 1 1 1 1354 1 1 1 1 1 1 1 2884 1 1 1 1 1 1 1 1 1 1 1212 1 1 1 1 1 1 1 1 1 2826 1 1935 3111 1 1 3167 3215 1 1174 2650 2103 3776 1 2129 2939 1 1 1 3619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 790.5608 *791.0585* 791.0585@5.1143875 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 1384 1891 1 1 1 1 1 1380 1169 1139 1 1 1 2046 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.0585 *791.0616* 791.0616@5.0706086 1 1 2801 1688 3225 1658 2458 1990 1182 1804 2346 1712 1980 1831 2912 2886 2612 1739 1614 1875 1937 1715 1 1504 1773 1685 1326 1 1799 2557 1086 1 2670 2642 1368 1346 1242 1627 1766 1759 1962 1567 1685 1 2158 2038 1451 2367 1184 2329 2192 2055 2139 2144 2602 2075 3549 2223 1144 2310 1 1252 1 1 1 1 1 1 1 1 1238 1509 1 1 1 1 1222 1259 1 1386 1 1 1 1266 1 1 1 1 1 1 791.0616 *791.4944* 791.4944@1.129866 1 1 1 1 1 1 1 1 1 1 1 1 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 1 791.4944 *792.4697* 792.4697@5.3284726 1 1 3985 4298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 792.4697 *792.971* 792.971@5.3284726 1 1 2416 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 792.971 *793.4865* 793.4865@1.1178597 1 1 1 1 1 1 1 1 1 1 1 1 4148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2283 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1870 1 1 1 1 1 1 1 1 1 1366 1 1 1 1782 2028 1 1 793.4865 *793.5224* 793.5224@1.2046615 1 1 1480 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 1456 1889 1 1 1 1 1 1 1 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 2116 1613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 793.5224 *794.353* 794.353@1.1303499 1373 1 1 1 1 1 1 1 1 1 1075 1145 1 2565 1 1 1 1 1 1 1540 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 1 1 1 1 1249 1 1 1 1 1 1 1 1752 1 1 1 1 1 1 1 1916 1 1 1 1 2235 1 1 1 1 1 1 1 1 1 1 1 1 794.353 *794.4924* GPIns(17:0/14:1(9Z)) 1 1 1334 1869 3380 3857 2805 2352 2108 2032 3120 2601 1 1778 2680 2750 2920 3753 2147 1882 2071 2465 2036 1599 2691 2112 1 1 3932 4314 1 1901 3080 2064 3736 3643 1418 1516 3096 3645 2982 2553 2010 1785 1 1 1 1 2389 2679 3183 4350 1670 1781 2590 2069 1 1 2255 3211 1 1 1306 1 1396 1398 1 1 1190 1 3187 2565 1 1 1 1 1 1 1 1 1 1 4246 2636 1 1 1478 1393 1 1 794.4924 *794.5219* 794.5219@5.2911773 1 1 19506 18803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6190 6077 1 1 1 1 6419 6331 1 1 1 1 1 1 1 1 1 1 1 1 4416 5138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7087 7264 5567 5909 1 1 1 1 4318 4410 1 1 1 1 1 1 1 1 1 1 1 1 794.5219 *795.022* 795.022@5.291892 1 1 13899 13257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3896 4084 1 1 1 1 3810 3897 1 1 1 1 1 1 1 1 1 1 1 1 2899 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4058 4831 3466 4041 1 1 1 1 2262 2447 1 1 1 1 1 1 1 1 1 1 1 1 795.022 *795.1777* 795.1777@7.0132303 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.1777 *795.5357* 795.5357@2.4055178 1 1 1 4767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5357 *796.4945* 796.4945@7.486173 1 1 4401 4265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1908 2146 1 1 1 1 2486 2599 1 1 1 1 1 1 1 1 1 1 1 1 2936 2295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2660 1831 1752 1314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.4945 *796.5221* 796.5221@1.0731201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1100 1 1 1 1 1 1 1 1279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.5221 *796.92* 796.92@1.2035695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.92 *796.9932* 796.9932@7.48677 1 1 2535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1565 1549 1 1 1 1 1 1351 1 1 1 1 1 1 1 1 1 1 1 1 1405 1313 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1422 1459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.9932 *797.2623* 797.2623@1.2052587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1086 1282 1 1125 1180 1122 1238 1015 1 1144 1221 1041 1 1152 1 1 1 1 1 1 1098 1008 1153 1 1210 1 1 1 797.2623 *797.5296* 797.5296@1.0723945 1 1 1 1 1 1 1 1 1 1 1 1 1688 1 2654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 2439 1370 1 1163 1952 1 1 1 1 1 1 1589 1 1834 1 1 1 1 1 1 1 1 1 1 1 6531 1 1 1 2774 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3348 1 1 1 2185 1 1 797.5296 *798.5572* 798.5572@5.2573423 1 1 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 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 1 798.5572 *799.4972* 799.4972@1.0990771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1057 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 799.4972 *800.23* 800.23@2.0527244 1 1 1 1 1 1 1 1 1 1 1 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 800.23 *800.5484* 800.5484@0.99701595 14509 9232 6517 6427 6485 6556 6734 6807 5298 5423 13592 17107 5944 6124 6413 6435 11702 12574 7269 7393 6701 6869 6112 6199 6710 7297 5967 5786 7019 16491 5911 5989 7281 13244 12226 6870 8425 8147 7224 12014 11553 7264 7227 7737 8479 12204 11099 7309 12882 8724 9870 15319 9962 14093 5350 5057 11732 12584 4658 4865 11258 7329 9546 11630 7559 9702 16306 15414 7111 9055 20420 20343 10324 12168 7208 7297 13853 13874 16689 17348 12067 14358 13125 12502 11028 11375 12305 14767 9345 9069 800.5484 *801.4537* 801.4537@1.193386 1 1 3546 2957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1037 1459 1 1 1 1 2183 1312 1 1 1 1 1 1 1 1 1 1 1 1 1475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2724 2988 1554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.4537 *802.4794* 802.4794@1.0732127 1 1 1 1 1 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 2536 2869 1 1 3227 3231 1884 2290 3110 1 1 1 1 1 1 1985 2416 2197 1 1 1 1 1 1 1 1 1 1 1 5325 1 1 3095 2485 1 4160 1 1 1 1 1 1 2185 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 2784 3185 802.4794 *802.5364* 802.5364@1.0223681 1 1 1 1 1 1 1 9154 1 1 1 1 13396 1 1 1 1 1 1 1 1 9217 1 1 7314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 1 1 3552 1 1 1 1 3092 1 1 1 1 802.5364 *803.4944* 803.4944@1.1480064 1 1 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 2056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.4944 *803.5418* 803.5418@1.0214633 3124 1 1 1 1 1 1 1 1 3569 1 2156 1 1 1 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 1943 1654 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 1 803.5418 *803.848* 803.848@5.487754 1 3032 2491 2501 1 2750 1 1 2996 2627 2675 1 2768 1 2810 2948 1 1 1 2801 1 1 1 1 1 2210 2855 2860 1 2279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.848 *803.8524* 803.8524@5.4886527 2788 1 1 1 2615 1 2943 2751 1 1 1 2702 1 2615 1 1 2414 2672 2533 1 2452 2722 2993 1 2570 1 1 1 2320 1 2563 2606 2605 2697 2523 2526 2543 2566 2841 3055 2937 2717 2650 2440 2488 2516 2330 2490 2687 2603 3463 4307 3085 3263 2800 3021 2652 2823 2830 2783 3366 3750 2884 2821 2998 3357 3397 3564 2546 2615 3886 4709 3027 2756 2613 2835 3731 3427 3488 4008 4647 3943 3822 4164 3833 3949 3635 3719 3061 3136 803.8524 *804.3544* 804.3544@5.4848027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 804.3544 *805.1882* 805.1882@2.0414515 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2243 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.1882 *805.4833* 805.4833@5.1477203 1 1 2007 2009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.4833 *805.5076* 805.5076@1.1379077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2869 1 1 1 1 1 1 1 1 1 1116 1 1 1 1436 1 1 1727 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 1 1 1 1 1 805.5076 *805.5141* 805.5141@1.1031193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1167 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.5141 *805.5674* 805.5674@5.0280437 1 1 1 1 1 1 1030 1344 1 1 1 1 1 1 1 1 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 2625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2786 3421 3338 1 1 1 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 1 805.5674 *805.9818* 805.9818@5.1472178 1 1 1388 1192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.9818 *806.1855* 806.1855@2.0477612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1116 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 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.1855 *806.5663* 806.5663@1.2056328 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 806.5663 *807.5364* 807.5364@1.2077949 1 1 4368 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 2842 1843 1 1 1 1 1 1 1 1 1 1 1 1 3500 2222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1985 1627 1 1 1 1 1 1 3615 3751 1 1 1 1 1 1 1 1 1 1 1 1 807.5364 *807.578* 807.578@5.015591 1 1 1 1 1 1 2910 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229 1742 1 1 1 1 1 1 1 1 1 1 1 1 1 1017 1 1503 1 1 1 1 1165 1 1 1 1 1 1 1 1 2292 1 1 1765 1 1 1 1308 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2536 807.578 *808.4745* 808.4745@1.1001952 1 1 1 1 1 1691 1 1 1 1 1 1 1 1965 1 1052 1 1 1 1 1285 2020 1 1 1 1171 1 1 1697 1678 1 1 1499 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 1185 1 1 1 1 1 1641 1680 1540 1105 1 1 1 1 2320 1631 1 1 1917 1936 1720 1 1 1 1 1 1 1 808.4745 *809.5316* 809.5316@5.428403 1 1 188197 183823 11813 11797 2238 2376 1 1 1 1 7215 6917 1 1 1 1 3140 2839 1 1 1 1 63036 3830 1 1 1 1 52657 51421 1 1 1 1 5876 6002 1 1 1020 1252 3391 3481 42952 2081 1823 1 1 1 1 1 2883 2991 1 1 1 1 1 1 1736 1817 4301 3772 5178 4846 1 1 3967 61500 51888 50353 1 1 1 1 34941 37821 1 1336 1 1 1 1 1 1 1 1 1 1 809.5316 *809.5319* 809.5319@5.3466763 1 1 10917 7467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3861 63991 1 1 1 1 3884 3655 1 1 1 1 1 1 1 1 1 1 1 1 2691 42102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 64204 4308 3114 3579 1 1 1 1 2156 1 1 1 1 1 1 1 1 1 1 1 1 1 809.5319 *809.5421* 809.5421@1.8744545 1 1 11879 5809 1 1 1 1 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 2820 1 1 1 2172 1 4919 1 1 1 1 1 1 1 1 1 1 1 1 1 6971 5398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8114 20253 1 1 1 1 1 1 7370 3504 22176 1 1 1 1 1 158792 191044 22476 49084 9474 1 1 1 1 3821 1034 1 1 1 809.5421 *809.5483* 809.5483@1.5633141 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.5483 *809.5487* 809.5487@2.2769217 20300 13354 260686 248896 55963 43804 29723 31506 31844 32505 6213 20524 45857 52885 50758 45073 21978 36903 46008 45129 23597 32075 22007 8004 62246 108256 32418 8660 14787 35017 196580 171681 49343 7975 29491 18704 26688 27222 32277 34378 60150 54139 26766 7845 135981 136717 11625 9926 39595 40320 1 42510 52171 43928 1 31323 10584 10540 39621 5469 30340 1 67767 65446 55817 18297 39553 10438 184245 205926 1 1 22619 20524 17632 4935 1 1 6350 1 1 1 58437 5591 1 1 1 24218 5951 1 809.5487 *809.5487* 809.5487@2.2538157 1 1 1 1 1 1 1 1 1 1 9247 5577 1 1 1 1 1 1 1 1 9487 1 5905 11019 1 1 1 21778 23075 1 1 1 1 10389 1 1 1 1 2049 1 1 1 1 8594 1 1 9802 12696 1 1 1 1 1 1 1 9635 1 1 1 11253 1 1 1 1 1 14042 1 1 1 1 1 1 10589 1 1 4248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.5487 *809.5491* 809.5491@2.75652 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 2294 1 1 7603 1 75177 84131 1 1 1 1 1 1 1 1 1 1 4371 1 1 1 1 1 1 2967 1698 1 8297 1 1 10957 1 1 1 1 1 1 1 18627 11260 1 1210 1 1 1 1 1 1 1 1 1 1 1 1 1856 1 1 1 1 1 1 1 1 1 2663 809.5491 *809.5493* 809.5493@2.4219093 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 1 1 1 1 1 1 1 1 1 1 1 1 1 809.5493 *809.5495* 809.5495@2.8063 7902 6435 101758 100421 24092 22849 13079 11133 12810 11782 11226 11357 21368 21170 21502 21696 15867 17188 20804 20084 11433 12937 12319 12451 48695 46742 12016 15877 11578 15586 1 1 20431 18751 13808 13322 13787 12924 11887 11317 25365 25891 2728 11422 58271 54772 13624 13404 15640 14195 4921 13752 9639 17053 14023 6957 3089 3201 13932 12639 18003 21861 28492 8317 2997 16699 4935 10364 81400 79830 34932 39845 13132 13633 3807 1449 42413 42641 11007 10369 10335 10958 15581 16365 1 1 6432 5683 11183 4920 809.5495 *809.5496* 809.5496@1.9611406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24861 1 1 1 1 1 7220 1 3237 1 1 1 1 1 1 1 1 1 1 10897 1 1 1 1 2963 1 1 1 1 809.5496 *809.5526* 809.5526@1.2082313 1 1 1 1 1 1 1 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 1 1 1 1989 1506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6908 3530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.5526 *809.5536* 809.5536@2.7332006 1 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 1 5274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 809.5536 *809.5944* 809.5944@5.0168858 1509 1561 1841 2352 2246 2440 4936 6645 2894 2692 2783 3500 2713 2554 2836 2852 2533 2740 3443 3786 5033 5867 2147 1553 1 1 2067 2631 4083 4305 3514 3545 2426 2826 3246 3606 3430 3734 4223 4129 3964 4963 2955 2714 3361 3596 3209 3407 2118 2170 3758 3895 3494 3459 2288 1845 1 1 7150 7443 6304 5427 4463 3716 4342 6182 1 1 5811 6194 5403 7511 3355 3249 1 1 2709 3283 2286 2101 2597 2531 4715 4702 1 1 6096 7834 7348 6448 809.5944 *810.0075* 810.0075@4.513696 1 1 1 1 1 1 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 5230 1 1 1 1 1 1 1 1 1 1 1 1 2140 1216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4394 4255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.0075 *810.0272* 810.0272@5.3787513 1 1 1 7349 1 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 53830 2373 1 1 1 1 1941 1 1 1 1 1 1 1 1 1 1 1 1 1 35968 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1025 1 1 1 1 1 1 1 2572 41898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.0272 *810.0322* 810.0322@5.4307103 1 1 131033 126683 9215 7872 1 1296 1 1 1 1 4847 5921 1 1 1 1 1913 2002 1 1 1 1 2474 52203 1 1 1 1 43397 36313 1 1 1 1 4122 4359 1 1 1 1 1919 2055 1506 36630 1 1193 1 1 1 1 2188 1741 1 1 1 1 1 1 1 1 3283 2173 2881 3960 1 1 45153 51526 1 37169 1 1 1 1 25850 26438 1 1 1 1 1 1 1 1 1 1 1 1 810.0322 *810.3628* 810.3628@5.4367814 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.3628 *810.5068* 810.5068@4.5128646 1 1 1 1 1 1 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 2997 1 1 1 1 1 1 1 1 1 1 1 1 1212 1033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3210 2471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.5068 *810.5085* 810.5085@1.2023106 1 1 4577 4916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2379 2709 1 1 1 1 17646 17484 1 1 1 1 1 1 1 1 1 1 1 1 6122 6304 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16375 16547 1 1 1 1 1 1 4858 5231 1 1 1 1 1 1 1 1 1 1 1 1 810.5085 *810.5303* 810.5303@1.2045404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1223 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 1 1 810.5303 *810.5514* 810.5514@2.2395597 1 5177 1 1 1 2044 1 1 1 1 9038 1 1 1 1 1 8769 1 1 1 1 1 1 8536 14901 1 1 3575 1 2114 1 1 1 18631 1 5632 2462 1 1 1 1 6808 1 1 1 1 13391 8628 1 1 1 4133 1 2520 1 2261 1 1 1 12192 5236 1 1 1 1 21302 1 1 1 1 1 1 1 3900 1 6438 1 1 1 1 1 1 1 1 1 1 1 1 1 2907 810.5514 *810.5526* 810.5526@2.3035803 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12416 1 1 1 1 1 1 1 1 1 1 4611 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 7097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.5526 *810.5527* 810.5527@2.0339224 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 1 1 1 1 5997 1 1 1 1 1 1 810.5527 *810.553* 810.553@2.5941377 1 1 1 1 1257 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 1 1 1 1 1 1421 1 1 1 1 1 1 3418 8558 1 1 1 1668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3937 1 2883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4205 810.553 *810.5531* 810.5531@1.8976707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2680 1 1 1 1 1 1 1 1 4957 24019 12076 1 1 1 1 1 1 4719 1 1 1 1 8399 1 1 1 1 1 1 810.5531 *810.5986* 810.5986@5.0238647 1 1 1 1 1 1 2534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 810.5986 *811.5547* 811.5547@2.2743227 1 1 1 1557 1 2977 1 1 1 1 1 1 1645 1 1 1 1 1 2024 2218 1 1 1 1 10679 1 1 1 1 1 1 3639 2913 2033 1 1 1 1 1 1 1010 1 1 1 2442 1 1 1 1 1 1 1 2984 1 1 1 1 1 1 1 5343 1 1 1 1 1 1 1 10721 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 811.5547 *812.0094* 812.0094@5.44781 1 1 32628 33542 1 2008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10296 1 1 1 1 1002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12344 1 1 9597 1 1 1 1 6724 6819 1 1 1 1 1 1 1 1 1 1 1 1 812.0094 *812.5097* 812.5097@5.448223 1 1 37803 22610 1077 1135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15587 15153 1 1 1 1 7275 7538 1 1 1 1 1 1 1 1 1 1 1 1 11987 6174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12576 15078 12088 12211 1 1 1 1 4033 7183 1 1 1 1 1 1 1 1 1 1 1 1 812.5097 *812.5564* 812.5564@2.3039083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 812.5564 *812.5751* 812.5751@5.175889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 812.5751 *812.5765* 812.5765@5.188457 1 1947 2103 1 1 1 1 1 1 1 1 1385 1 1 1 2472 1121 1 1 1 1 1 1 1 1 1 2242 1 1921 1 1 1 1 1 1614 1 1 1 1 1 1 1 1 1 1 1302 1 1 1408 1 1 1 1 2671 1 1 3107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 812.5765 *813.0112* 813.0112@5.442967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8169 3605 1 1 1 1 3160 1 1 1 1 1 1 1 1 1 1 1 1 1 2859 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3362 2850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.0112 *813.0738* 813.0738@5.1787357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1053 1 2023 1 1 1 1172 1 1 1 1 1 1312 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.0738 *814.4876* 814.4876@5.4400697 1 1 1 16538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6080 6131 1 1 1 1 1 1 1 1 1 1 1 1 1 5698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3619 1 1 1 1 1 1 1 1 1 1 1 1 1 814.4876 *814.5026* 814.5026@1.9786503 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2884 1 1 1 1 1 1 1 1 4856 4732 1 1 1 1 2082 1 2197 1 1 1 1 1310 1 1 1 1 1 1 814.5026 *814.9916* 814.9916@5.4519925 1 1 10590 11258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4395 1 1 1 1 3938 4011 1 1 1 1 1 1 1 1 1 1 1 1 2619 3477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3686 4489 2982 3452 1 1 1 1 2321 1799 1 1 1 1 1 1 1 1 1 1 1 1 814.9916 *815.4918* 815.4918@5.4657006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1228 1 1 1 1 1 1 1 1 1 1 1 1 815.4918 *815.6281* 815.6281@1.2150097 1469 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 815.6281 *815.631* 815.631@1.5549272 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 2219 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.631 *815.6315* 815.6315@1.5044196 4165 3658 1 2637 1 3567 1505 1 2086 1 3556 2789 2913 3137 2073 1 1 3356 3484 1 1 1 1 1 1 3420 1 3016 1 3208 1 1 1 1 3201 3135 1 1 1 1 1 1 1 1 1663 6060 5923 5987 3642 3589 7290 6773 6350 6714 6307 5535 6503 6816 6046 6438 3010 1 1 1 1678 1 1 2081 1 1 1 1 1 1 1 1 1 1 3318 2382 1 2892 1 3332 2668 2869 2846 1 1 3261 815.6315 *816.5332* 816.5332@5.403436 1 1 14731 15493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4607 4728 1 1 1 1 4773 4814 1 1 1 1 1 1 1 1 1 1 1 1 3633 3502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5926 5647 4697 4233 1 1 1 1 3107 3184 1 1 1 1 1 1 1 1 1 1 1 1 816.5332 *816.6069* 816.6069@1.2048687 1 1 1 1 1 1025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1267 1530 1 1 1 1022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1128 1 1 1 1 1 1 1100 1 1003 1 1160 1 1 1085 1 1 1077 1179 1 1055 1 1132 1228 1 1185 1427 1253 1120 1 1 1 1326 1211 1 1146 1 1 1 1 1 1 1130 1 1 816.6069 *816.6184* 816.6184@1.2036661 1448 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1003 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 1 1 1 1 816.6184 *817.0349* 817.0349@5.402709 1 1 10838 10964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2618 2943 1 1 1 1 3015 3201 1 1 1 1 1 1 1 1 1 1 1 1 2198 2494 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3691 4013 2831 2564 1 1 1 1 1963 1901 1 1 1 1 1 1 1 1 1 1 1 1 817.0349 *818.5042* 818.5042@7.5881467 1 1 3146 3077 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 1134 1474 1 1 1 1 1 1 1 1 1 1 1 1 1634 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1665 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 818.5042 *819.0061* 819.0061@7.584954 1 1 2031 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 1 1118 1 1 1 1 1 1 1 1 1 1 1 1 1030 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.0061 *819.5769* 819.5769@0.9743449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1104 1 1 1 1 1 1 1 1 1 1 1 1 1 1619 1870 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.5769 *819.5917* 819.5917@2.791371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 819.5917 *821.0059* 821.0059@0.7571613 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 821.0059 *821.0068* 821.0068@3.0185738 1 1 1 1 2570 1 1573 1 1 1 1 1 1 1 1 1 3639 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 1212 1 2528 2660 1 1 1 1 1 1 1 1 4795 1 1 1 4062 1 1 1 1 1 1746 1 1 1 1 1 2355 1 1 1 7141 2266 1 1 1 1 1428 1 821.0068 *821.0068* 821.0068@3.9459317 1 1 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2792 1 1 1 1 1 1 1 1 1 2121 1 1 1 821.0068 *821.0069* 821.0069@2.1903322 1 1 1 3814 2674 2962 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 2571 1 1 1898 1 1 1 1 1506 11981 15673 1 1431 1 6067 1 4321 1 1 3135 1 1 2447 1 2365 1 3173 1 1 1 1 1 1 2568 1 1 1 1 1 1 1 4023 1 1 6383 4534 2447 2735 1 1 1 1 2390 3617 1 1 1 1 1 3181 1 3560 1 1 3147 1 3348 821.0069 *821.0069* 821.0069@2.2018254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 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 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 1190 821.0069 *821.007* 821.007@1.9506308 1 1 1 1 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 1 1 2703 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 821.007 *821.0071* 821.0071@1.2412363 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 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.0071 *821.0076* 821.0076@3.7083092 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.0076 *821.0081* 821.0081@0.9083199 4555 1 1 4367 3719 4029 3398 1162 1 1 1 1 3997 1 1 1 1 1 3343 1 3040 4037 1 2568 4514 1 1 3920 1 4537 1 1 1 1 1 1921 1 1 2505 1 1 1 1 1 1 1 4246 1896 1 1 1 1 1 1 1 1 3688 2245 1 1 1 3848 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3887 1 8189 8603 3768 1 1317 2690 1 1 1 1 1 1 821.0081 *821.5051* 821.5051@1.0948732 2769 3215 2767 2894 3794 3607 2863 2858 3865 3570 3662 3368 3600 3281 3734 3634 3395 3583 3345 3256 3076 2840 3013 3416 3367 2923 2525 2589 3933 3613 2938 2809 3153 2785 4660 4192 3066 2809 4021 4424 3066 2889 3094 3180 2640 2737 2444 2459 2868 3116 4138 4515 2700 2415 3148 3303 2417 2337 1806 2714 2777 1666 2807 2827 2239 2163 2476 2346 2127 2061 3140 2901 3216 3120 3049 2661 2182 2423 2022 1995 2086 2081 3838 2972 2377 2729 3157 2983 3265 3566 821.5051 *822.3714* 822.3714@1.1230574 19688 20728 19907 20227 25846 25925 18238 18864 25314 25282 15485 15929 22098 22076 31765 30992 23979 24454 28739 28952 26268 26906 23382 23622 23935 23501 22758 22495 24573 24151 30200 28629 35288 33479 22775 23280 20389 20161 18173 19298 29717 31236 22258 22177 11882 11551 23252 24224 23943 23646 24447 24441 23824 22994 22136 22379 19577 19405 21817 21574 32730 32480 27668 24039 27591 28122 21310 20392 22895 22947 23536 23323 23124 23508 18578 16822 31360 31874 18575 18090 17332 17070 25069 25268 17773 17249 20525 21126 22589 22289 822.3714 *823.5629* 823.5629@2.2239704 1 1 9911 12741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10580 10772 1 1 1 1 1 1 1 1 1 1 1 1 5185 5727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10985 10449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.5629 *823.5633* 823.5633@2.7196894 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.5633 *823.5638* 823.5638@1.6716015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6238 1 1 1 1 1 1 1 1 1 1 1 1 823.5638 *823.5638* 823.5638@1.7878972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2620 1 1 1 1 1 1 1 1 1 1 1 1 1 823.5638 *824.5308* 824.5308@5.6235905 1 1 3172 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 824.5308 *824.5665* 824.5665@2.2647438 1 1 4554 2069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 824.5665 *825.0306* 825.0306@5.620584 1 1 2207 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 825.0306 *827.5156* 827.5156@5.5368 1 1 8651 8318 2770 2362 1354 1 1 1 1 1 2557 2901 1 1 1 1 1 1 1 1 1 1 4721 4193 1 1 1 1 6292 6113 1 1 1 1 1965 1814 1 1 1 1 2318 3070 7044 6630 2054 1863 1 1 1 1 1646 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6633 6329 3547 2452 1 1 1 1 3232 3157 1107 1521 1 1 1 1 1 1 1 1 1 1 827.5156 *827.5179* 827.5179@5.578429 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5179 *828.4668* 828.4668@4.1692843 1 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 3827 3942 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 1570 1 1 1 1 1 1 1 5121 4806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.4668 *830.5671* 830.5671@1.0233055 2502 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 830.5671 *831.2372* 831.2372@0.9823347 22291 23597 30778 32682 28825 22443 22594 23090 62556 58630 13869 11548 16095 13339 14321 13257 11098 10922 10187 9817 21289 20502 19217 19247 19096 19300 12016 9841 9040 8794 19937 20072 16482 18139 17270 16374 14602 15003 48149 45168 9204 8401 10609 11369 9772 8070 9034 10251 6485 6717 13421 14639 14499 17951 13671 14021 14920 14734 16512 14237 12343 13893 12589 12568 13194 13124 9309 9187 26637 25867 4467 4200 8909 6039 5734 6577 4976 5632 5564 4820 11327 9719 10262 3980 10972 11641 13513 12839 5779 2299 831.2372 *831.5419* 831.5419@5.4328265 1 1 6033 5081 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1759 1696 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 1555 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5419 *831.543* 831.543@5.594616 1 1 1 16398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6904 1 1 1 1 1 1 1 1 1 1 1 1 4952 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 2654 1 1 5638 8044 29679 7061 1 1 1 1 19712 1 1 1 1 1 1 1 1 1 1 1 1 1 831.543 *831.5444* 831.5444@5.5794783 1 1 105821 93836 7335 6997 1 1 1 1 1 1 3596 4070 1 1 1 1 1 1 1 1 1 1 37397 44192 1 1 1 1 35971 37192 1 1 1 1 4653 1 1 1 1 1 2592 2840 31516 32082 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 2040 2430 3017 1 1 1 34210 31237 1 22603 1 1 1 1 1 19380 1 1 1 1 1 1 1 1 1 1 1 1 831.5444 *831.5774* 831.5774@5.014271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2250 831.5774 *831.6272* 831.6272@1.6639924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.6272 *831.6273* 831.6273@1.6088548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.6273 *832.0171* 832.0171@4.612813 1 1 1 1 1 1 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 3571 1 1 1 1 1 1 1 1 1 1 1 1 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 3303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.0171 *832.0385* 832.0385@5.5658374 1 1 1 8846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7121 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.0385 *832.0411* 832.0411@5.4780145 1 1 4134 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.0411 *832.0465* 832.0465@5.5798645 1 1 75658 66868 4906 4497 1 1 1 1 1 1 2563 2150 1 1 1 1 1 1 1 1 1 1 24101 32290 1 1 1 1 25312 25488 1 1 1 1 3431 3006 1 1 1 1 1953 1 23816 22947 1 1 1 1 1 1 1638 1 1 1 1 1 1 1 1 1 1635 1534 1692 1 1 1 21403 22622 21679 20567 1 1 1 1 15228 14353 1 1 1 1 1 1 1 1 1 1 1 1 832.0465 *832.2358* 832.2358@0.9839349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7641 1 1 1 1 1 4381 832.2358 *832.4757* 832.4757@5.5144224 1 1 1 2523 1 1054 1 1 1 1 1 1 1130 1559 1 1 1 1 1 1 1 1 1 1 1421 1942 1 1 1 1 1906 2314 1 1 1 1 1 1 1 1 1 1 1 1 1799 2624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1208 1 1 1 1 1 1 1880 1793 2995 3560 1 1 1 1 3128 3996 2433 2546 1 1 1 1 1 1 1 1 1 1 832.4757 *832.4825* 832.4825@5.520852 1 1 3204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.4825 *832.5208* 832.5208@4.6120586 1 1 1 1 1 1 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 2628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 832.5208 *834.027* 834.027@5.572451 1 1 10791 7406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4279 3736 1 1 1 1 2717 2778 1 1 1 1 1 1 1 1 1 1 1 1 1 2705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3481 3314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 834.027 *834.2354* 834.2354@0.98176414 5492 5377 6993 8455 1 5722 5652 5407 15080 14261 1 2561 1 2919 2782 2786 1953 2036 1913 1879 5055 4367 4168 4562 4282 4407 1 1859 1154 1892 4519 5302 3065 1 3578 3636 3096 3363 11716 10842 1559 1741 2252 1 1 1 1671 2088 1 1 2723 2793 3243 1 3069 2872 1 3139 3953 2992 2307 1 2773 2572 2467 2767 2087 1832 6631 6395 1 1 1 1 1 1 1 1 1 1 1 2056 2053 1 2197 2201 2824 2312 1 1 834.2354 *834.2397* 834.2397@0.9823927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 834.2397 *834.4104* 834.4104@1.0717194 1 1991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 834.4104 *834.4208* 834.4208@1.0743036 2281 1 1769 1550 1 1 1 1 2611 1867 1 1 1 1 1793 2482 1 1434 1 1 1 1 1 1 1 1927 1 1 1 1 1 1960 2514 2098 1 1 1 1 1 1 2399 2143 1 1 1 1 1 1392 1 1 1 1 1 1 1 1 2273 2206 1 1 2044 1802 1758 1 1 1 1 1552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 834.4208 *834.5219* 834.5219@5.562544 1 1 5475 1883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 834.5219 *834.5239* 834.5239@5.5791245 1 1 1 5494 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 1 1 1 1 1 1 1 1 1270 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 834.5239 *834.582* 834.582@5.2960405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1449 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 834.582 *835.024* 835.024@5.5820775 1 1 1 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 1 1 1 1 1 1 835.024 *837.5413* 837.5413@1.2108576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1288 1372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.5413 *837.8411* 837.8411@5.4951406 1 1 1 1 1 1 12926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 837.8411 *837.8456* 837.8456@5.4883256 13239 12675 12354 13328 12255 12646 1 13502 14010 13493 12848 13649 12925 12372 12651 13043 12110 11875 13335 12836 13536 13073 13514 12578 12283 12179 12470 12800 11163 11337 12459 13366 13684 13115 12415 12380 11691 12170 13172 12713 13831 12786 12481 12650 12863 13105 12120 12199 12575 13048 18361 19014 15965 15591 14721 14720 13844 13631 13327 13676 18368 17793 12315 13334 15129 15161 16406 15399 13230 12956 19801 20456 12735 13362 14124 14247 18400 18774 17941 18086 19904 19576 18919 18721 19715 20077 18280 17954 15633 15524 837.8456 *838.3669* 838.3669@1.1344843 1 1 1 1 1 1 1 1 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 1195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 838.3669 *838.5491* 838.5491@5.529775 1 1 4479 4747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 838.5491 *839.05* 839.05@5.530929 1 1 3237 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 839.05 *839.5584* 839.5584@2.9065368 1 1 5235 6676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 839.5584 *840.5186* 840.5186@7.6765637 1 1 2139 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 840.5186 *841.0179* 841.0179@7.676038 1 1 1329 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 841.0179 *842.0084* 842.0084@5.5654974 1 1 49814 50252 2884 2926 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17816 18178 1 1 1 1 15787 15730 1 1 1 1 1 1349 1 1 1 1 1 1 12737 13071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18298 17933 15157 15806 1 1 1 1 10032 10237 1 1 1 1 1 1 1 1 1 1 1 1 842.0084 *842.5121* 842.5121@5.5656147 1 1 42922 43070 1953 1744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15429 14831 1 1 1 1 12966 12966 1 1 1 1 1 1 1 1 1 1 1 1 11271 10879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14594 14536 13488 11396 1 1 1 1 9195 7604 1 1 1 1 1 1 1 1 1 1 1 1 842.5121 *844.4872* 844.4872@5.568314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2010 1 1 1 1 1 1 1 1 1 1 1 1 844.4872 *844.9892* 844.9892@5.556501 1 1 7336 7256 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2127 2055 1 1 1 1 1633 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 2151 1913 2114 1 1 1 1 1512 1273 1 1 1 1 1 1 1 1 1 1 1 1 844.9892 *845.287* 845.287@0.96506876 2164 1 3144 3452 2520 2703 2635 3245 2933 1315 1 1 2990 1165 1299 3500 1 1 1 2612 1 2880 2415 2471 1 2311 1 2268 1 1 2341 2546 1 1 2299 1006 1 1517 1 1 1 1 1 1 1 2004 2366 1987 1915 1 1 1 1 1 1595 1 1171 1 2072 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 1 1 1 1 1 845.287 *845.4346* 845.4346@1.0772945 1 1 1 1 1 1 1 1 1 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 1281 1295 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 1 1 1 1 845.4346 *845.4831* 845.4831@1.2031465 1 1 2061 2265 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1373 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2034 1933 1694 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.4831 *845.4905* 845.4905@5.5639462 1 1 3611 4060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.4905 *845.6423* 845.6423@1.1865058 2886 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6468 6254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 845.6423 *846.2841* 846.2841@0.96608615 1 1 1 1 1 1 1 1 1 1999 1 1 1 2081 2427 1 1 1 1 1 1 1 1 1 1396 1 1739 1 1 1 1 1 1 1 1 1762 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 846.2841 *846.5466* 846.5466@5.7639923 1 1 3000 3227 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 846.5466 *846.8185* 846.8185@1.0061421 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 846.8185 *847.0496* 847.0496@5.764989 1 1 2070 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.0496 *847.609* 847.609@0.9719981 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 847.609 *848.4444* 848.4444@5.5470085 1 1 10369 10102 2798 2564 1 1820 1348 2022 1 1530 3481 3270 1 1 1 1 1165 1981 1 1 1 1 5069 4321 1 1 1 1 8631 7657 1 1 1 1 2301 2263 1 1253 1363 1376 2213 3399 7251 8081 2420 1952 1 1 1 1 2509 2437 1 1 1 1 1 1 1885 1912 1723 1528 2586 2539 1 1 9140 9043 5531 5218 1 1 1 1 4056 3411 2350 1701 1 1 1 1 1 1 1 1 1 1 848.4444 *849.0179* 849.0179@5.5438733 1 1 1160 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.0179 *849.248* 849.248@0.9860857 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 1 1 1 1 1 1 1 1 1 1 1 1 1 849.248 *850.3934* 850.3934@1.098136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 121236 120545 1 1 1 1 1 1 1 1 1 111413 19492 1 1 1 1 1 1 1 1 1 850.3934 *851.3937* 851.3937@1.0910455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 42083 1 1 1 1 1 1 1 1 1 851.3937 *851.5618* 851.5618@1.2099894 1 1 1065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.5618 *851.8554* 851.8554@5.4850507 1 1 1 1652 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1402 1 1 1 1 1 1 1241 1193 1 1 1140 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 851.8554 *851.8597* 851.8597@5.4878287 1443 1606 1357 1 1452 1491 1325 1363 1518 1 1385 1442 1477 1216 1284 1433 1395 1268 1 1463 1610 1589 1330 1257 1465 1 1 1668 1462 1 1518 1407 1497 1552 1225 1345 1271 1252 1232 1570 1529 1386 1386 1275 1427 1253 1325 1213 1349 1540 2512 2352 2195 1681 1748 1878 1482 1631 1386 1518 2364 2575 1371 1494 1776 1966 2030 1916 1411 1506 2699 2833 1205 1385 1799 1917 2528 2592 2361 2481 2516 3063 2600 2410 2536 2503 2572 2618 1899 2090 851.8597 *852.4748* 852.4748@5.561093 1 1 33029 31487 1825 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10741 10131 1 1 1 1 9586 9742 1 1 1 1 1 1 1 1 1 1 1 1 8355 6893 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11649 11706 11117 11288 1 1 1 1 6895 6935 1 1 1 1 1 1 1 1 1 1 1 1 852.4748 *852.9763* 852.9763@5.56012 1 1 23829 22703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7225 6845 1 1 1 1 6855 6998 1 1 1 1 1 1 1 1 1 1 1 1 5125 4772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8046 8047 8227 7728 1 1 1 1 4890 5669 1 1 1 1 1 1 1 1 1 1 1 1 852.9763 *853.404* 853.404@1.0761162 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 853.404 *853.5528* ROXITHROMYCIN 1 1 164967 164229 11095 9938 1 1430 1 1 1 1 5581 5275 1 1 1 1 2413 2341 1 1 1 1 47398 60758 1 1 1 1 11789 50247 1 1 1 1 7443 7373 1 1 1 1 4002 3506 42713 41497 1540 1 1 1 1 1 2617 3215 1 1 1 1 1 1 1 1372 3602 3923 4351 4413 1 1 57036 56517 49055 48651 1 1 1 1 33973 28107 1 1 1 1 1 1 1 1 1 1 1 1 853.5528 *853.5557* 853.5557@5.720619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13033 1 1 1 1 1 38587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6587 1 1 1 1 1 1 1 1 1 1 1 1 853.5557 *853.5746* 853.5746@2.508699 1 1 1 1 1 2594 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2844 5520 1 1 1 1 1 1 1 1 1 1 1 1 2402 1 1 1 1 1 10236 25838 1 23153 1 1 1 1 1 1 28744 18971 1 1 1 1 2021 2944 1 1 1 48360 1 1 1 1 20236 1 6433 13332 12772 1 1 1 1 1 1 1 1 15216 853.5746 *853.5748* GPIns(16:0/18:1(9Z)) + 2.818267 13563 7179 192574 185731 43364 34219 19858 3765 16146 21322 8870 19138 40089 32851 29509 36226 33288 5159 31499 37540 25590 26282 19877 20100 71111 27407 28815 15784 31334 30120 150231 127255 36491 36839 22181 20328 22171 24277 19734 28860 43446 14683 16505 5485 108600 94203 28389 28626 34214 35200 1 1 23721 1 4947 7732 2087 1 15924 16673 1 2076 47673 26761 24832 2731 12204 1421 143758 129325 7923 1 13384 24993 10518 6880 1 3583 1096 1 1351 1 17106 1 1 1 1 6501 1 1 853.5748 *853.5749* GPIns(16:0/18:1(9Z)) 3468 3097 76795 60663 14511 17060 8653 8268 8105 7416 6696 8463 18159 15383 12179 17791 11640 9891 14767 15363 10061 8620 6633 6812 32183 37999 7937 9465 8836 12417 51301 56136 15054 15269 8710 7059 7543 6676 9592 9647 14802 19799 6631 6332 37730 41620 9801 11361 11251 11850 18390 17955 19634 21835 15996 15339 4199 3938 11467 11526 25138 26099 20333 20720 16015 19492 10387 12996 52214 46481 56767 59196 8817 9502 3868 2703 60918 53681 16101 15213 11593 12412 21355 23972 3680 3818 9886 10154 10276 11620 853.5749 *853.5749* 853.5749@2.6955607 1 1 1 1 1 1 1 1 3179 1 6985 1 1 1 1 1 1 21685 1 1 1 1 1 1 1 28107 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11830 1 1 1 1 4728 1 1 1721 9473 1 23026 1 1 1 1 1 1 1 1 1 1 13696 1 1 1 1 1 9280 1 1 1 1 1 1 1 853.5749 *853.5751* 853.5751@2.1254277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 853.5751 *853.5756* 853.5756@2.8983276 1 1 1 1 1 1 1 19844 1 1 1 3232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27540 1 16699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1518 1 1 1 1 1 1 1 1 1 853.5756 *853.5785* 853.5785@2.6792967 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 853.5785 *854.0292* 854.0292@4.69736 1 1 1 1 1 1 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 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 2775 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.0292 *854.0533* 854.0533@5.7127047 1 1 132451 117879 7701 7712 1 1058 1 1 1 1 3860 3698 1 1 1 1 1751 1 1 1 1 1 48527 42849 1 1 1 1 41113 39210 1 1 1 1 4343 5127 1 1 1 1 2039 1976 32913 30827 1 1 1 1 1 1 2169 1742 1 1 1 1 1 1 1 1 2122 1934 2610 3255 1 1 40684 45769 39789 35885 1 1 1 1 26927 24686 1 1 1 1 1 1 1 1 1 1 1 1 854.0533 *854.5349* 854.5349@1.203816 1 1 3279 2856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1030 1110 1 1 1 1 12096 11939 1 1 1 1 1 1 1 1 1 1 1 1 3790 4191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11899 11938 1876 1161 1 1 1 1 2972 3328 1 1 1 1 1 1 1 1 1 1 1 1 854.5349 *854.5357* 854.5357@4.6973615 1 1 1 1 1 1 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 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 1795 1667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.5357 *854.5766* 854.5766@3.0824168 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 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 1534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1316 1 1 2948 1 1 1 1553 1 1 1 2255 1 1 1 1 1 1 1 1 1 1 854.5766 *854.5767* 854.5767@2.8411467 1 1 1 1 1 1 2791 1 1 1 1 1 1 1 1282 4173 1 1 1 1 1 1 1 1 1 1 1 4919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.5767 *854.5773* 854.5773@2.2834558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10530 1 1 1 1 1 1 1 1 1 1 1 1 854.5773 *854.5776* 854.5776@2.4374402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 3563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23298 8660 1417 1 1 6925 1 1 1 1 1 1 1 1 854.5776 *854.5787* 854.5787@2.7239845 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1 1 1 1 1 1 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 7722 1 1 2939 1 1 3729 1 1839 1 1 1 5810 1 1 1 1 1780 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2171 1 1 854.5787 *855.581* 855.581@2.6555269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6255 7349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.581 *855.5828* 855.5828@3.1319516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.5828 *855.5831* 855.5831@2.8524091 1 1 1 1 1 1 1 1 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 5790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 855.5831 *856.0345* 856.0345@5.7125607 1 1 1 14020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3105 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4863 1 1 4809 1 1 1 1 1 2869 1 1 1 1 1 1 1 1 1 1 1 1 856.0345 *856.5327* 856.5327@5.70626 1 1 11677 12177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4075 2999 1 1 1 1 2268 2349 1 1 1 1 1 1 1 1 1 1 1 1 2140 2097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3233 2577 2534 2868 1 1 1 1 1725 1657 1 1 1 1 1 1 1 1 1 1 1 1 856.5327 *858.278* 858.278@10.904415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1240 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 858.278 *858.3781* 858.3781@1.1018991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2372 1 1 1 1703 1 1 2191 1 1685 1500 1506 1539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 858.3781 *859.0053* 859.0053@5.704815 1 1 2265 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.0053 *859.5105* 859.5105@5.709051 1 1 2697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.5105 *859.6569* 859.6569@1.2150924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6569 *859.6576* 859.6576@1.5997323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10088 7157 2599 8757 6342 1 1 1 1 1 2915 1 1 1 1 1 1 1 1 1 3014 3840 1 1 1 1 4460 4453 4409 4095 4319 3641 1 2632 2556 3822 1 1 1 3215 859.6576 *859.6581* 859.6581@1.6949672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6581 *860.5578* 860.5578@5.6591587 1 1 9194 9591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2529 2692 1 1 1 1 2490 2470 1 1 1 1 1 1 1 1 1 1 1 1 2279 1884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3221 3238 2100 2507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 860.5578 *861.061* 861.061@5.6615314 1 1 6780 6959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1729 1642 1 1 1 1 1966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2104 1773 1645 1716 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 861.061 *862.5313* 862.5313@7.781636 1 1 1 1204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 862.5313 *863.615* 863.615@3.3862176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.615 *863.6169* 863.6169@3.2315626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3004 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.6169 *864.0175* 864.0175@5.701301 1 1 2419 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 864.0175 *864.5179* 864.5179@5.702042 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 864.5179 *866.3798* 866.3798@1.1344433 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 866.3798 *866.387* 866.387@1.0995237 5321 5933 3626 3463 4712 4547 3511 3519 5020 5314 3609 3479 3388 3409 5569 5682 5514 5197 5785 5539 5904 4743 4538 4223 6669 5737 5430 5177 4730 5194 6892 6574 11796 11146 4061 3963 4327 3867 4028 3990 7643 8344 3925 4069 3932 4095 4292 4726 4539 4390 4785 5085 3754 4143 4335 4567 6145 5947 4498 4747 7988 7536 6235 6057 7921 7738 7221 7007 4336 5074 5095 5196 4372 4352 4525 2810 6053 6072 4049 4080 3715 3837 5342 5277 5372 4912 4168 4781 4541 5214 866.387 *867.3926* 867.3926@1.1003858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 867.3926 *867.4809* 867.4809@4.3716125 1 1 1487 1357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.4809 *867.5899* 867.5899@2.7402487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.5899 *867.6362* 867.6362@1.2025667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 867.6362 *868.5587* 868.5587@5.890399 1 1 3423 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 868.5587 *869.056* 869.056@5.888891 1 1 2232 2419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.056 *871.5355* 871.5355@5.7091966 1 1 14064 13226 3960 1 2644 2348 2103 2812 2122 2160 4798 4469 1 1 1 1 1878 2325 1 1 1 1 7764 7036 1 1 1 1 10150 1 1 1 1 1 3123 3305 1585 1906 1 2050 4187 4360 10207 10143 3319 3414 1761 1 1 1 3202 3648 1 1 1 1 1 1 2934 2665 2332 1869 3228 3373 1 1 11198 11340 7353 7534 1 1 1 1 6100 6966 4004 3916 1 1 1 1 1 1 1 1 1 1 871.5355 *871.8355* 871.8355@5.491765 1904 1 1 1 2281 1 1739 2054 2316 1 1864 1 1995 2010 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 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 1 871.8355 *871.8367* 871.8367@5.4886684 1 2149 2344 2149 1 2484 1 1 1 2284 1 2034 1 1 2058 2009 1861 2045 2279 2165 2250 2042 2180 1899 1942 2393 1933 2091 1 2149 1977 1878 1953 1864 2081 2256 1759 1977 2124 2187 2241 2163 1931 1971 1932 1 2007 1854 1894 2274 3323 2940 2152 2757 2443 2562 2356 2310 2475 1 3082 2610 2083 2043 2596 2277 2680 2469 2088 1 3178 3222 2008 2170 2517 1 3026 2952 2933 2717 3417 1 3122 3227 3504 3024 2716 2907 2449 2542 871.8367 *872.4925* 872.4925@4.3500113 1 1 1 1 1 1 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 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 3057 2949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 872.4925 *875.5651* 875.5651@5.85922 1 1 136427 138611 8641 8768 1 1 1 1 1 1 4463 4216 1 1 1 1 1 1545 1 1 1 1 49372 50424 1 1 1 1 42211 42316 1 1 1 1 6922 1 1 1 1 1 3209 2615 35647 36487 1 1 1 1 1 1 2365 2650 1 1 1 1 1 1 1 1 3514 3110 3746 3687 1 1 48689 1 40752 41531 1 1 1 1 27952 27680 1 1 1 1 1 1 1 1 1 1 1 1 875.5651 *875.5699* 875.5699@5.77994 1 1 2897 2804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.5699 *875.6388* 875.6388@0.96934575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1552 1 1 1 1423 1709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.6388 *876.04* 876.04@4.767196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1838 1930 1 1 1 1 1 1 1 1 1 1 1 1 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 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 876.04 *876.0655* 876.0655@5.859039 1 1 110380 100809 6615 5957 1 1039 1 1 1 1 2714 2884 1 1 1 1 1038 1442 1 1 1 1 37719 38247 1 1 1 1 34205 32279 1 1 1 1 5057 4774 1 1 1 1 2168 1929 28120 26338 1 1 1 1 1 1 1728 1348 1 1 1 1 1 1 1 1 1602 1840 2110 2171 1 1 35482 36760 30625 30241 1 1 1 1 20714 22205 1 1 1 1 1 1 1 1 1 1 1 1 876.0655 *876.0671* 876.0671@5.7123337 1 1 2912 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 876.0671 *876.543* 876.543@5.706599 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 876.543 *876.5464* 876.5464@4.74792 1 1 1 1 1 1 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 1203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 876.5464 *877.6354* 877.6354@3.3892362 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 877.6354 *878.0464* 878.0464@5.850901 1 1 1 10170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2970 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3139 1 3366 3020 1 1 1 1 1758 1 1 1 1 1 1 1 1 1 1 1 1 1 878.0464 *878.5448* 878.5448@5.847695 1 1 8205 8530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1823 1 1 1 1 1597 1656 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 1877 1888 2267 1649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 878.5448 *879.0414* 879.0414@5.8593364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.0414 *881.0253* 881.0253@5.849764 1 1 1651 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 881.0253 *881.5597* 881.5597@4.679517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2299 1 1 1 1 881.5597 *882.5718* 882.5718@5.8062024 1 1 7144 7056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 882.5718 *883.0748* 883.0748@5.8144183 1 1 5078 5110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 883.0748 *886.0319* 886.0319@5.850239 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 886.0319 *886.531* 886.531@5.8442664 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 886.531 *890.5677* 890.5677@5.978215 1 1 2242 2369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 890.5677 *891.0699* 891.0699@5.9782195 1 1 1694 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 891.0699 *897.5775* 897.5775@5.9453654 1 1 113802 116090 7206 7229 1 1 1 1 1 1 3485 3448 1 1 1 1 1 1 1 1 1 1 43122 43235 1 1 1 1 35044 34687 1 1 1 1 5906 6229 1 1 1 1 2774 2281 29414 30093 1 1 1 1 1 1 1954 2741 1 1 1 1 1 1 1 1 2331 2576 2811 3243 1 1 39580 38793 34956 35199 1 1 1 1 23965 24327 1 1 1 1 1 1 1 1 1 1 1 1 897.5775 *897.5809* 897.5809@5.857286 1 1 3349 3198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.5809 *897.6013* 897.6013@3.409146 3816 2124 70746 79439 16553 12376 8030 7498 7284 8456 4304 6582 17602 15857 13767 14192 9487 11297 14989 13423 8317 8127 6813 6463 30285 27652 5185 9811 9070 11061 111644 1 12278 12271 6653 7438 6998 6467 8811 9471 16775 18210 4609 6510 39623 37877 10442 8201 9161 11028 9478 11158 12217 10165 8024 10131 1 1 8665 9298 11884 12747 18177 16318 17811 14722 7408 5944 55391 59296 26706 25775 8634 8794 3612 4429 32276 32374 7839 9516 7313 8633 17152 10132 1740 1677 1 5972 8976 4782 897.6013 *897.6013* 897.6013@3.2324862 1 1 151612 141542 30187 29805 16349 17693 14677 17097 4669 13948 31073 30428 25384 27497 22007 21080 27449 17884 16916 19688 14839 15329 57804 1 3934 17068 20647 20938 3090 1 27644 26059 15105 14948 16465 16216 17398 20284 30747 18970 13329 14988 78655 75508 14698 19591 20845 21984 3061 1 1 1 1 22239 1 1 17942 17678 1 1 35704 1815 29943 1 1 9154 116027 110284 1 32517 15583 15477 8744 1 11784 1 12006 1 1 1 27087 1 1 1 1 1 1 1 897.6013 *897.6015* 897.6015@3.1452785 10484 7265 1 1 1 1 1 1 1 1 3565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48835 15802 1 1 1 1 111155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4933 1 1 1 14464 20715 24987 22357 16256 1 2658 4818 1 1 16196 20299 1 30199 1 28644 16880 2637 1 1 53753 19814 1 1 1 9058 11462 40448 3872 19119 11912 14065 1 19476 1 1 10700 9191 14216 10191 897.6015 *897.6028* 897.6028@3.3518012 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.6028 *898.0772* 898.0772@5.9238043 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 3751 1 1 1 1 1666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 898.0772 *898.0783* 898.0783@5.9447703 1 1 88669 87743 5193 5025 1 1 1 1 1 1 2075 1984 1 1 1 1 1 1 1 1 1 1 32502 31647 1 1 1 1 26280 27303 1 1 1 1 4180 1 1 1 1 1 1 1639 22174 21534 1 1 1 1 1 1 1127 1 1 1 1 1 1 1 1 1 1744 1640 2081 1 1 1 30116 30440 27654 27570 1 1 1 1 17429 18531 1 1 1 1 1 1 1 1 1 1 1 1 898.0783 *898.3473* 898.3473@1.1011692 1 1 1 1 1 1 1 1 1 1 1 1 1150 1357 1 1 1 1 1 1 1 1 1 1 1650 1548 1 1 1 1 1862 1427 1 1 1 1 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 2214 1 1 2233 2403 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1834 1539 898.3473 *898.561* 898.561@1.2040343 1 1 2064 2148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8268 8202 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 7600 7872 1 1 1 1 1 1 2125 1715 1 1 1 1 1 1 1 1 1 1 1 1 898.561 *898.6046* 898.6046@3.2972512 1 1 1 1 1 1 1 1 1154 1 4263 1 1 1 1 1 1 1 1 3392 1 1 1 1 2124 1 2119 1 1 1 1 1 1 1 1 1 1 1 1855 1 1 12616 1398 1 1 1 1 1 1 1274 1 1 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 2172 1 1 1 898.6046 *898.606* 898.606@3.2383451 1 1 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 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 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 1 898.606 *899.6074* 899.6074@3.0656834 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 3972 5770 1 1 1 1 1 1 1 1 1 1 1 1 899.6074 *899.6075* 899.6075@3.2271798 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 1157 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 2352 1 1 1 1 1 1 1 1 1 1 1 1 1 899.6075 *900.5591* 900.5591@5.941079 1 1 3322 3282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 900.5591 *901.0565* 901.0565@5.9397864 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 1 1 1 1 1 1 1 901.0565 *902.5636* 902.5636@3.3660536 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30481 28237 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 902.5636 *903.6846* 903.6846@1.726344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 903.6846 *903.6852* 903.6852@1.1880008 4231 2666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7354 6790 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 903.6852 *904.5837* 904.5837@5.9084644 1 1 6043 6783 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1745 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 2191 2155 1832 1696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 904.5837 *905.0851* 905.0851@5.908579 1 1 5088 4760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1341 1106 1 1 1 1 1046 1193 1 1 1 1 1 1 1 1 1 1 1 1 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 1278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 905.0851 *905.2583* 905.2583@0.9780892 7694 9078 11350 16919 7731 7559 7458 8560 19169 6330 4578 4252 5361 4797 5761 2020 3733 3902 4502 4267 8790 2787 6480 7726 5750 6096 3962 4232 4148 4092 6835 6941 5176 5108 5451 6302 5410 5044 15591 13559 3253 3109 1570 3215 1 3944 2774 3442 1 1 3752 3692 4289 4945 4134 5211 4475 4444 7013 2291 1639 1299 4290 4170 3885 4228 1 2678 9107 9155 1 1 1 1 1 1 1 1 1 1 1 1 1 2580 3149 3463 4582 3686 1 1 905.2583 *905.836* 1-heptadecanoyl-2-(9Z-heptadecenoyl)-3-eicosanoyl-sn-glycerol 8137 7715 8137 8147 7593 7940 7667 7733 8244 8295 7747 7855 7567 8481 7771 7503 7391 7378 7203 7784 8127 8048 8111 7999 7192 7468 7538 7751 7228 7138 7995 7358 7949 7961 7429 7335 7355 7453 7673 7860 8352 8036 7346 7434 7571 7224 7832 7360 7162 7864 11418 11355 9250 9317 9385 9109 8396 7929 7503 7751 10719 10445 7876 8222 9092 9430 9442 10030 7822 7294 12696 11599 7867 8111 8266 8723 11180 11285 10577 11023 11997 11463 10934 11123 11854 11810 10926 11380 9066 9040 905.836 *906.2585* 906.2585@0.9772526 1 1 1 1 1 1 1 1 1 13368 1 1 1 1 1 4574 1 1 1 1 1 5993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3098 1 2358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4658 2755 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 1 906.2585 *907.6411* 907.6411@3.5228124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 907.6411 *908.2524* 908.2524@0.9791202 1 1 2950 1 1768 1750 1 1782 5355 1 1 1 1 1 1263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3950 3192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1628 1 1 1 1 1 1 1 1 1 2571 2334 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 908.2524 *909.2484* 909.2484@0.9757346 1 1 1 1 1 1 1 1 1 1349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 909.2484 *910.4771* 910.4771@1.0659858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1062 1253 1 1 1 1 1 1 1 1 910.4771 *911.6142* 911.6142@3.1676083 1 1 6693 7224 1 1 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 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 1717 5526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 911.6142 *911.617* 911.617@3.3105786 1 1 1961 3269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 911.617 *912.5803* 912.5803@6.064061 1 1 1808 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 1 912.5803 *913.085* 913.085@6.06459 1 1 1325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 913.085 *915.5604* 915.5604@5.8752894 1 1 1 1 3070 1 2141 2193 2265 2323 1966 1573 4089 3941 1 1 1 1 2118 2122 1 1 1 1 6319 5443 1 1 1 1 1 1 1 1 1 1 2723 2586 1110 1025 1926 1653 3416 2944 1 1 2889 2872 1 1567 1 1 2835 2722 1 1 1 1 1 1 1963 1 2163 1903 2863 2667 1 1 1 1 1 6192 1 1 1 1 5064 1 3131 2752 1 1 1 1 1 1 1 1 1 1 915.5604 *916.5201* 916.5201@4.5140715 1 1 1 1 1 1 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 1205 1 1 1 1 1 1 1 1 1 1 1 1 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 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 916.5201 *919.5887* 919.5887@6.030662 1 1 85357 85612 4952 5421 1 1 1 1 1 1 2457 2420 1 1 1 1 1 1 1 1 1 1 31013 30503 1 1 1 1 26715 25864 1 1 1 1 5375 5169 1 1 1 1 2074 2004 21805 21329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1626 1 1841 2213 1 1 29731 29838 26519 26599 1 1 1 1 18305 17751 1 1 1 1 1 1 1 1 1 1 1 1 919.5887 *919.589* 919.589@5.9463863 1 1 2283 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 919.589 *919.8528* 919.8528@5.490197 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1200 1174 1 1 1 1 1 1 1 1 1263 1213 1 1 1272 1014 1 1 1 1 1588 1459 1 1 1051 1 1343 1469 1441 1456 1598 1427 1587 1542 1687 1382 1276 1251 1 1 919.8528 *920.0866* 920.0866@6.0345345 1 1 52049 51557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1042 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 1 920.0866 *920.0901* 920.0901@6.025073 1 1 1 1314 3390 3224 1 1 1 1 1 1 1501 1393 1 1 1 1 1 1 1 1 1 1 18094 18796 1 1 1 1 15356 15465 1 1 1 1 2678 2974 1 1 1 1 1 1 13037 12913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1424 1 1 1 17859 17641 15497 15718 1 1 1 1 10447 10649 1 1 1 1 1 1 1 1 1 1 1 1 920.0901 *921.0025* 921.0025@0.9101407 1 1 1 112731 82137 1 95824 1 1 112587 186754 1 133972 159814 1 1 1 84117 1 1 136430 1 151662 1 150691 1 1 162506 1 126692 1 1 108254 182839 159074 156093 49108 1 98164 147708 75268 146532 1 72518 1 116095 1 1 1 1 119638 1 1 1 1 78193 1 1 1 84806 1 68214 1 1 116784 1 121966 136429 180019 66446 1 189326 1 140717 121183 130031 79067 122179 379400 373412 1 1 108613 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@1.847825 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 110375 48456 1 1 88833 99072 1 1 1 1 1 1 1 86306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 137997 1 1 119266 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@1.8913245 1 1 1 95563 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@2.1848912 261833 1 191835 189696 118008 1 1 1 1 1 175843 191187 504531 1 1 1 1 1 1 1 1 1 1 1 1 1 621849 154684 1 1 1 1 82226 878691 185855 127969 1 1 1 1 1 1 1 1 1 1 84566 1 161346 550267 187397 316799 1 1 119262 1 1 1 52092 1 1 1 1 266595 379932 1 134990 97846 601583 1 135059 1 351878 233459 247501 176659 1 1 1 1 1 1 1 168415 1 269173 234680 1 1 1 921.0025 *921.0025* 921.0025@1.2725298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38187 1 1 1 1 1 1 1 1 100138 1 1 1 1 1 1 55912 1 1 1 62060 1 64871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 51196 1 1 1 1 1 1 1 1 1 1 1 35638 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@2.5016096 1 1 1 1 1 1 1 1 1 1 1 1 62801 1 1 1 1 1 1 1 1 1 1 1 1 107366 1 1 1 1 1 1 1 1 1 1 27585 1 1 1 1 1 1 1 1 1 49447 1 1 92849 42791 1 1 1 1 1 1 1 97125 1 1 1 1 1 224161 47865 155564 1 128692 1 1 1 1 1 1 1 219028 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@4.163917 1 1 1 1 1 1 1 60049 1 85371 1 1 1 1 1 1 1 1 1 1 83800 1 1 1 122737 1 1 34486 1 1 1 117010 1 1 1 1 36480 1 1 1 122373 1 1 38580 1 1 42449 53733 1 106869 1 1 1 57206 1 1 1 51781 1 137845 1 1 1 1 1 42582 1 1 31891 66798 1 1 1 68799 104829 53867 1 126851 144510 1 1 1 90251 1 1 40516 1 1 1 1 921.0025 *921.0025* 921.0025@13.2517395 1 1 1 1 1 1 1 1 1 1 1 1 28194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37517 1 1 1 55887 1 1 1 1 1 1 1 64806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@13.417543 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@2.2476423 1 1 1 1 1 1 1 1 1 1 1 1 37911 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694103 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87342 244697 1 1 425891 1 1 1 240457 1 1 1 1 1 1 1 386664 77427 1 1 1 1 1 320202 273146 1 1 1 1 1 1 1 1 334941 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@8.936048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31833 25442 1 1 1 1 1 1 1 25776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@10.315796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@0.7212504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66409 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@3.0402567 1 1 1 1 52668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181874 1 1 1 92619 1 39464 1 125280 1 1 1 1 1 1 1 91276 1 1 47167 140019 1 1 154651 1 1 1 1 1 1 1 1 1 1 1 141717 1 1 1 1 1 228743 1 1 1 1 1 1 1 1 1 142364 1 157281 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@12.5305 1 1 1 1 1 1 1 1 1 1 36455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@6.3600655 1 1 1 1 38715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@2.4053156 1 1 1 1 1 1 1 1 1 1 1 1 47696 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 104979 223311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@2.8766613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 56266 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 66245 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29863 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@7.8103533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@3.657098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 41106 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@1.3690898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0025* 921.0025@4.254262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 91037 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025 *921.0026* 921.0026@5.6330667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 48299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47925 1 1 1 1 1 44176 1 1 1 1 1 1 1 1 1 1 1 1 1 53840 1 1 27421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0026 *921.0031* 921.0031@5.650733 1 103046 1 105177 1 1 1 1 1 1 84777 42840 109581 1 1 1 114918 1 1 1 1 1 65958 1 1 1 1 1 1 1 1 1 1 92688 1 1 1 1 1 40619 1 100113 1 1 39660 1 1 1 1 1 77771 1 1 103946 103570 57892 72357 1 98660 1 1 1 113298 1 1 1 1 1 1 119573 61288 102105 1 107752 110042 91955 67665 1 1 1 1 69113 1 1 1 1 1 1 1 1 921.0031 *921.3555* 921.3555@2.2572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1582 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 1 1 1 1 1 1 1 1 1 1 3009 1 1 1 1 1 1 1 1 1 1 1 1 1 921.3555 *921.3713* 921.3713@2.21445 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 1 1 2358 1 1 1 1 1 1 921.3713 *921.3828* 921.3828@2.1373518 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.3828 *921.4404* 921.4404@2.2383456 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.4404 *921.4562* 921.4562@2.1406753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 921.4562 *921.4779* 921.4779@2.2329993 2085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.4779 *921.5009* 921.5009@2.2385314 1 1 1 1 1 1540 2168 1 1 1 1 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 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 1 1 1 1 1 1 1 921.5009 *921.5239* 921.5239@2.2203698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5239 *921.5249* 921.5249@13.589917 1061 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5249 *921.5358* 921.5358@2.2252874 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.5358 *921.5799* 921.5799@0.8995996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 921.5799 *921.6372* 921.6372@13.621952 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.6372 *921.6549* 921.6549@3.6376514 1 1 1 1 1 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 2779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.6549 *921.6561* 921.6561@2.2631228 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 1748 1 1 1 1 1 1 1 1 1 3524 1 1 1 1 1 1 1531 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.6561 *921.6829* 921.6829@0.9117979 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2141 1 1 1 1 1 1 1 1 1 1 921.6829 *921.6959* 921.6959@2.227878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 921.6959 *921.7741* 921.7741@2.181955 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.7741 *922.0041* 922.0041@2.2201374 1 1 1 1 1 90990 1 1 1 1 13180 1 1 1 1 1 1 1 1 1 1 28040 1 1 1 98967 1 1 1 1 1 30695 1 1 1 1 46847 1 24085 1 1 92070 1 1 90710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44049 1 47000 1 1 1 1 1 1 1 1 1 1 19845 1 1 69388 1 1 1 1 1 1 1 1 1 1 922.0041 *922.0041* 922.0041@13.234135 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0041 *922.0041* 922.0041@2.5554178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34603 1 1 1 1 1 1 1 1 922.0041 *922.0044* 922.0044@3.2130978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22412 1 1 8938 1 1 1 1 1 1 1 1 5162 1 1 1 1 1 1 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 23376 1 1 1 1 1 1 1 1 1 1 19395 1 1 922.0044 *922.0044* 922.0044@0.9121026 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0044 *922.0045* 922.0045@3.989609 1 1 1 1 1 1 1 1 1 1 1 1 8051 1 1 1 1 1 1 1 1 1 1 1 1 12710 1 1 1 1 11171 6807 1 1 1 25065 1 1 6573 1 1 1 1 1 1 1 1 1 1 40754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20289 1 922.0045 *922.0045* 922.0045@2.134285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22520 1 17747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38777 1 1 1 1 1 1 1 1 1 1 30831 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0045 *922.0046* 922.0046@1.8962529 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0046 *922.0047* 922.0047@1.2849724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.0047 *922.0048* 922.0048@2.9188073 1 9138 1 1 10555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23879 1 1 1 1 1 1 1 1 1 1 10197 1 1 922.0048 *922.0055* 922.0055@5.5361876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22683 1 1 1 1 1 1 1 1 1 1 1 1 13614 1 1 1 1 1 1 1 1 1 1 1 922.0055 *922.5249* 922.5249@2.1899607 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.5249 *922.5691* 922.5691@6.0274057 1 1 3253 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 922.5691 *922.5701* 922.5701@1.1372943 1 1 1 1 1 1 1 1 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 1818 1 1 1 1 1 1 1 1 1 1 1 1 1799 1 1 1530 1861 1 2143 1 1 2656 2120 1 1 1 1 2375 2187 1 1 2390 2246 1 1 3117 3255 2328 2357 1 1 1680 1 1 1 1 1 1 1864 1 1 1246 1953 1418 1844 922.5701 *923.0048* 923.0048@3.9810364 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0048 *923.0054* 923.0054@2.170963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0054 *923.0056* 923.0056@0.9017122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1324 1 1 1 923.0056 *923.0057* 923.0057@3.0092366 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 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1815 1 1 1 1 1 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 1 3179 1 1 1 1 4544 1 1863 1 1 1 1 1 1 923.0057 *923.006* 923.006@3.764737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1873 1 1 1 1 1 1 1 1 1 2956 1 1 1 3256 1 1 1648 1 2149 1 1 1 1 1 2105 1 1490 1310 1 1 1 1 1 1 1 2088 1 1 1714 1 1 1 1 1 1215 1 1 1 1 1 1 1 1 1 1 3124 1 1396 1 1 1 3566 1 1 1 1 1 1 1 1 1 1 1 1 1 923.006 *923.0066* 923.0066@2.2259617 1 1 1 1 1 5289 1 1 1 1 1 1 1 1 5544 1 1 1 3064 1 1 1 4227 1 1 5573 5020 1 2918 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 3563 1 1 1 1 1 1 1 1 2087 15592 1 1 1 1 1 1 6486 1 1 1 16261 1 13351 1 7882 1 1 13110 1 2991 1 1 1 1 923.0066 *923.0068* 923.0068@2.483008 1 1 1 1 1 2740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2842 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 1 1 2215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0068 *923.0077* 923.0077@3.5289414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1957 1 1 1 1 1 1 1 1 3057 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 923.0077 *923.0085* 923.0085@13.459756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 923.0085 *926.597* 926.597@5.9982986 1 1 4998 4666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 926.597 *926.6656* 926.6656@1.0199751 8002 9350 8404 8498 8934 8565 8205 7786 8105 8047 8140 8104 8541 8690 8251 8617 7148 7447 7817 7905 7379 6790 8238 8357 7073 7277 7668 8043 8385 8295 7536 6819 8329 8217 8005 7872 7162 6971 7052 7030 5876 5590 9044 8553 6141 5964 7335 7560 6377 5742 6361 6919 7336 6752 5048 5185 7322 7227 7052 7203 5036 5204 5031 5086 5070 5137 3711 3753 5182 4312 4745 4625 5806 5904 5099 5439 4732 4448 4115 3978 5101 5488 3747 4303 5607 5828 5044 5077 6623 5913 926.6656 *927.0963* 927.0963@5.99501 1 1 3163 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 927.0963 *932.6044* 932.6044@0.98694855 1 1 5999 1 8015 1 1 1 1 1 1 1 1259 8599 1 10668 6365 6699 1 1 1 4638 1 1 7985 8384 1 1 5161 1 20491 18021 1 1 1 1 1 1 1 1 1 1 1 1 8341 1 13287 13624 1 1 1 1 1 1 1 1 1 1 10591 9081 15052 15209 1 1 8912 8834 1 1 1292 7936 1 1 1 6156 10388 1 1 1 1 1 1 1 1 6733 1 1 1 1 9974 9183 932.6044 *933.6343* 933.6343@0.9875167 4654 5219 8074 8225 8565 8413 4824 5842 5148 4741 3617 3128 10088 10469 12044 12335 8294 7923 6505 6777 6828 6680 2589 2611 9688 9308 3330 3076 7387 6622 19594 19240 11705 11280 7561 7781 5837 6245 7936 7968 11604 11750 2589 2798 9516 9847 15194 15715 8895 8758 11665 11974 11336 12359 7612 7195 10430 10274 9920 10291 15452 15256 10529 11258 11098 10356 3489 3212 10036 10491 8611 8295 8350 7811 10057 9236 15299 15425 4831 4342 4259 4153 9418 9422 2374 2338 5925 6153 9879 10396 933.6343 *938.6147* 938.6147@1.0202198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1794 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 1 1 1 1 1 1 1 1 1 938.6147 *939.8295* TG(17:2(9Z,12Z)/18:0/22:3(10Z,13Z,16Z))[iso6] 1 1546 1490 1419 1655 1460 1282 1862 1739 1434 1734 1461 1545 1635 1725 1692 1588 1386 1790 1529 1828 1585 1830 1735 1524 1832 1626 1478 1329 1299 1800 1412 1780 1388 1264 1783 1456 1 1586 1745 1436 1527 1415 1462 1381 1687 1412 1283 1626 1420 2132 2032 1878 1 1825 1790 1 1654 1835 1 1967 1926 1593 1681 2034 2014 1749 1898 1512 1357 2493 2529 1765 1 1907 1568 2234 2283 2205 1 2406 1 2024 1 2223 2490 1 1 1 1 939.8295 *939.8362* 939.8362@5.4893823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2561 1 1803 1 1 2097 2316 1981 1662 939.8362 *940.3874* 940.3874@1.0700066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1378 1092 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 940.3874 *941.603* 941.603@6.114139 1 1 58355 58117 3852 3453 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1 21228 21426 1 1 1 1 17765 17483 1 1 1 1 3420 3462 1 1 1 1 1 1 13789 14521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1374 1 1 20680 20875 17973 18465 1 1 1 1 11919 12389 1 1 1 1 1 1 1 1 1 1 1 1 941.603 *941.6265* 941.6265@3.6339464 1 1 36421 39614 1 7779 3881 2499 3381 2948 2260 2735 8613 8495 5864 5950 4878 5248 7529 6212 3944 3264 2999 1 15103 16626 4085 4123 4185 4498 32592 30736 5441 4319 3055 2613 3349 3793 3297 4194 7356 7851 1 4778 19665 20290 5738 3941 2010 5286 4436 6284 7427 6277 5388 4350 1 1 3888 4303 9023 7452 7672 7823 7095 7006 2688 3994 34166 30979 20049 21060 2717 3306 1 1 20381 19580 4674 4341 3173 3503 6069 2118 1 1 3100 1 3818 3029 941.6265 *941.6266* 941.6266@3.4788346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40445 1 1 1 1 1 35501 34550 9626 7824 6796 6520 1 1931 1 1 1 1 1 1 941.6266 *941.6272* 941.6272@3.530422 1 1 73545 67806 16497 13921 7726 9463 6496 6897 4447 5968 13809 15556 11260 11949 9347 9528 10809 11081 8019 7772 5130 5951 30644 31988 7691 7528 8828 9855 46973 46712 9559 10431 6229 5791 6530 6694 7066 3499 14134 14993 6498 6336 40940 37462 7909 8534 8231 8059 1 11140 14311 12757 8835 9862 1 1 8085 7273 14395 14147 15126 14684 13586 12813 6133 6000 49681 51175 1 37972 6941 5702 3009 3357 1 1 1 1403 1 1 10546 9453 1 1 4735 4565 5985 6034 941.6272 *942.1046* 942.1046@6.1142836 1 1 42958 44216 2347 1993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13608 12270 1 1 1 1 10698 10654 1 1 1 1 2149 1984 1 1 1 1 1 1 8270 8750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12134 11737 11074 11161 1 1 1 1 7301 7089 1 1 1 1 1 1 1 1 1 1 1 1 942.1046 *942.5851* 942.5851@1.2042456 1 1 1 1034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4598 4805 1 1 1 1 1 1 1 1 1 1 1 1 1031 1376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5363 4490 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.5851 *942.6307* 942.6307@3.5781066 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.6307 *942.9825* 942.9825@13.3028965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 942.9825 *942.9826* 942.9826@13.430332 1 1 1 1 1 1 1 1 1 1 1 1 2726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4717 1 5622 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 1 1 2912 1 1 4565 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9826 *942.9827* 942.9827@4.186159 1 4592 1 1 1 1 3415 1 1 1 1 6145 1 1 1 1 1 1 1 9806 14960 5849 4744 8125 1 1 1 1 1 1 1 12280 1 1 1 8549 1 11700 1 9079 1 1 1 1 15728 1 6028 7227 1 1 1 7033 6429 1 1 1 9384 1 1 1 1 15892 1 1 1 1 1 1 9568 1 13713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7240 1 942.9827 *942.9829* 942.9829@13.131138 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4444 1 1 8393 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9829 *942.9832* 942.9832@13.360397 1 1 1 1 1 1 1 1 1 1 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 1 2737 1 3618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9832 *942.9833* 942.9833@6.5924077 1 1 1 1 4589 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 27549 1 1 1 1 1 1 1 1 1 1 1 942.9833 *942.9834* 942.9834@4.075672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7327 6944 2739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11998 1 1 1 1 1 1 1 1 1 8402 1 1 1 3100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9834 *942.9835* 942.9835@6.7996492 1 1 1 1 8377 1 1 1 1 1 13264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17442 1 1 1 1 1 1 1 1 1 1 11009 1 1 1 1 1 1 1 1 1 1 1 1 1 10414 1 1 1 1 1 1 1 7595 1 1 27919 1 1 7259 1 1 1 13289 1 1 15093 1 1 1 1 1 1 6908 8570 1 11448 13633 1 1 13885 1 1 1 1 942.9835 *942.9841* 942.9841@5.4428625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11987 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2778 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 1 1 8940 1 1 1 1 11615 1 1 1 1 1 1 1 1 1 1 1 942.9841 *942.9865* 942.9865@5.461606 1 1 1 1 1 1 1 1 9338 1 1 5268 1 1 6016 1 8876 7306 1 1 1 9851 17561 1 12138 1 1 1 1 1 1 1 1 7963 1 1 5901 1 1 1 1 1 1 11528 3976 10412 7689 1 1 1 1 6009 1 1 1 1 1 1 3384 1 15127 1 1 1 9958 1 7426 1 1 1 1 1 1 6214 1 1 1 1 4726 9370 1 1 1 1 1 1 1 1 1 4925 942.9865 *943.987* 943.987@13.410091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 943.987 *943.9876* 943.9876@6.910348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 943.9876 *943.9882* 943.9882@6.907845 1 1 1 1 1 2215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3501 2263 1 1 1 1 1 2254 1 2039 1 1 1 1 1 1415 1 1 2105 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 3299 1 4025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4589 1 1 1 943.9882 *943.9884* 943.9884@7.080993 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 943.9884 *943.9888* 943.9888@13.13001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 943.9888 *944.0689* 944.0689@6.119694 1 1 1287 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 944.0689 *944.5876* 944.5876@6.1142607 1 1 1198 1126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 944.5876 *946.589* 946.589@3.4640226 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 946.589 *948.613* 948.613@6.0846386 1 1 2932 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 948.613 *949.1118* 949.1118@6.0821295 1 1 2073 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 949.1118 *949.6311* 949.6311@0.9883576 3380 3275 1 4933 1 6498 3155 3343 3315 3382 2180 1826 7624 1 9058 1 1 1 4907 5132 4028 1 1489 1737 1 1 1143 1812 1 4137 1 1 8301 8149 5241 5195 4237 3927 4908 4438 8148 7223 1 1592 1 6550 1 1 6153 6603 8435 8470 12149 12491 5438 5038 8149 8478 1 1 1 1 6940 7044 1 1 1 1749 7471 1 6369 6273 5502 1 1 8163 12722 12719 3013 2779 3070 2830 6547 1 1 1 3504 3355 1 1 949.6311 *950.592* 950.592@1.0631173 4828 5704 2359 2004 3495 3741 3008 3381 3224 3918 6145 5712 2672 2595 3034 3770 5692 5907 3573 4141 3086 2753 4292 3951 4060 3601 4687 4502 3961 4094 4910 4703 7111 7500 5298 5237 6063 6139 5857 5999 5825 5716 4253 3851 5209 5415 6256 6388 5986 5994 5556 5673 6615 6687 6878 7018 11400 11669 4612 5084 6840 7544 7569 6532 6654 7341 11441 11175 8221 8319 10923 10392 8777 8761 6993 7046 8132 7535 6362 5672 7651 7672 7929 6736 10313 10028 7177 7691 6122 6085 950.592 *954.589* 954.589@0.98218465 1 1 1 1 1 1 1 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 1491 1 1 1 1 1 1 1 1 1 1 1 1 1 1980 2113 1 1 1 1 1 1377 1 1 1 1 1 1 1718 1617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1334 1512 1 1 1 1 1 1 1 1 1 1 1 1 954.589 *955.6458* 955.6458@3.4836733 1 1 2876 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 1078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 955.6458 *958.9572* 958.9572@6.7820587 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9572 *958.9573* 958.9573@6.7912827 1 1 1 1 6217 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 1 4795 1 1 1 9998 1 1 1 1 1 1 1 1 1 1 4812 10766 1 1 1 1 1 1 1 7516 1 1 1 1 1 1 5114 1 1 3321 1 1 23275 1 1 1 1 16913 8319 19132 1 1 19727 9044 1 5220 1 18414 6012 1 1 958.9573 *958.9574* 958.9574@6.924524 1 1 1 1 1 1 1 1 1 1 1 1 8296 1 1 1 1 1 1 1 1 1 1 1 1 3559 1 1 1 1 1 1 1 1 8600 1 1 1 8834 1 1 1 1 1 1 1 1 1 1 1 4676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6253 5964 1 1 1 1 1 1 1 1 4705 1 1 1 958.9574 *958.9577* 958.9577@5.847783 1 1 1 1 7072 21980 1 19017 1 1 4928 62504 12569 1 1 1 1 45671 1 14611 1 1 1 1 1 16303 1 18169 1 17634 14766 1 1 1 15897 1 14795 10349 8159 1 1 1 1 1 1 11993 20900 9300 9637 15358 9539 1 16707 16108 1 11402 13567 19396 10382 1 1 22219 1 1 18988 24017 6467 1 21980 1 1 23183 1 6501 1 1 25526 24111 1 25937 8211 1 1 11669 1 25097 22136 18211 1 1 958.9577 *958.9583* 958.9583@6.3888874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3563 1 1 1 1 1 1 1 1 4358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9583 *958.9587* 958.9587@5.838575 1 1 1 1 1 1 1 1 1 1 6349 1 5547 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 5584 1 1 1 1 1 1 1 1 1 1 1 5899 1 1 1 1 1 1 1 5218 1 1 1 1 1 1 1 1 1 4159 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7770 12279 1 1 958.9587 *958.9601* 958.9601@5.6991854 1 1 1 1 16350 19046 1 1 1 1 83317 1 68780 1 1 1 1 1 1 1 1 1 1 1 1 8417 1 11091 1 14724 1 1 1 1 3730 1 10831 1 45896 1 1 1 1 1 1 1 5770 1 1 10964 27216 1 11079 1 1 1 1 1 14913 1 1 1 1 1 1 7220 1 1 5425 1 1 51813 1 1 1 1 42775 1 1 1 1 1 1 1 1 1 30474 6678 1 1 958.9601 *958.9607* 958.9607@5.6189556 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 40075 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9607 *958.9612* 958.9612@5.449233 36751 46397 23087 1 6436 10922 1 1 1 9275 11467 23893 2569 19950 1 18949 7794 16474 41963 1 1 9249 1 1 1 50435 48887 12681 21424 1 24251 1 1 1 1 30337 15286 1 3595 14186 1 1 1 1 1 1 11995 1 40494 11814 8198 9200 1 1 1 1 1 15038 5166 1 1 1 1 1 1 2806 64086 1 1 1 23423 17376 17202 1 1 1 10735 9329 42567 12812 7157 10763 1 1 12220 4722 12698 22510 3607 1 958.9612 *958.9637* 958.9637@5.227889 1 1 1 1 1 1 1 1 1 1 1 1 1817 1 1 1 1 1 1 1 1 1 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 1 1 7445 9739 1 1 1 1 1 1 4206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4916 1 3921 1 1 1 1 1 1 1 1 958.9637 *958.9656* 958.9656@5.5812926 27652 46858 26789 92083 47299 43783 57808 54845 60762 32382 12546 32901 9468 57807 35792 82225 49809 30787 31730 54248 77625 86652 50179 81284 56714 35867 30616 59808 21675 69438 52481 62699 80625 66018 80403 33768 71532 72099 19749 71046 48339 83074 58233 66610 42399 71982 79923 66360 27169 32041 41551 78406 66681 74462 57420 57781 72973 30202 56956 68376 33697 75288 61009 86198 90453 37171 29155 66810 64337 99230 79368 36788 57386 55057 80043 81961 50772 48914 35902 37644 58451 54616 79873 80446 28158 40247 35599 34707 90215 50734 958.9656 *959.5888* 959.5888@5.985576 1 1 8946 1 2372 2684 1 1 1 1607 1 1 3035 2657 1 1 1 1 2014 1 1 1 1 1 4428 4429 1 1 1 1 6082 1 1 1 1 1 2068 2056 1 1 1 1 2596 2943 6202 1 2210 1 1 1 1 1 2492 2175 1 1 1 1 1 1 1384 1631 1 1167 2176 1836 1 1 1 1 4960 4469 1 1 1 1 1 4030 2074 1791 1 1 1 1 1 1 1 1 1 1 959.5888 *959.9594* 959.9594@7.0762186 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 959.9594 *959.96* 959.96@5.3860483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 959.96 *959.9606* 959.9606@6.8576937 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 1 1 1 1 2671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2500 1 1 1 1 1 1 1 1 1 1 5915 1 1 1 1 1 1 1 1 1 1 959.9606 *959.9611* 959.9611@13.037957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 959.9611 *959.9612* 959.9612@5.7695656 1 1 1 1 1687 1 1 1 1 1 4881 1 1 1 1 1 1 1 1 1 3956 1 3123 1 3570 1688 1 1 13272 1 1 1 1 1 1 1 1 1 1 1 4529 3272 1 4656 1 1 1 1 1 1 1 1 2950 1 1 1 1 1 1 1 1 4014 5419 1 2656 15202 4137 3614 1 1 3113 1 1 1 1 1 2864 5041 4067 3939 3687 7242 2748 1 4187 1 1 1 1 3735 959.9612 *959.9627* 959.9627@5.5986676 1 1 14391 1 2704 1356 1 1 2860 11353 1 1 1 1 1 1 1 1 1 1 1 1 1 3306 1 1669 1 1 2733 1 1 4647 1 2047 3746 1 1 1 1 1 1858 1 1 1 9183 1777 1 1 1 1 1 1 1 1 1 3005 1 9453 1 1 15159 3395 1 1 1 1 1404 3048 2395 2954 3341 1 1 1 1 1 1 1 19472 20675 2646 4409 2595 1 10891 1 1 10791 1 1 959.9627 *959.966* 959.966@5.7666316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13797 1 1 1 1 1 1 1 1 1 1 2543 1 1 1 1 1 1 1 1 1 1 1 959.966 *960.5495* 960.5495@4.6709676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 960.5495 *960.9588* 960.9588@5.6680226 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 2044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1186 1 1 1 1086 1 1 1 1 1 1 1 1 1116 1 1141 1 1 1 1 1 1 1 1 1 960.9588 *960.965* 960.965@5.5762553 1 1 1 1 1 1 1484 1 1 1 1 4381 1065 1 1 1 1 1 1909 1 1442 3253 1 1 1 1 3671 1 1 4040 1 1 1 1 1 1 1 1 1 1 3041 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 2129 5012 1 1 1 1 1 1441 1 1 1 1 1 1 3413 1 1 1512 1 1 1733 1 1 4440 1 1 1 1 3583 1 1 1 960.965 *961.7245* 961.7245@1.187235 1591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5280 4861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 961.7245 *963.6155* 963.6155@6.199077 1 1 41696 39942 2270 2041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14668 14496 1 1 1 1 11468 11545 1 1 1 1 1878 2038 1 1 1 1 1 1 8770 9948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13277 13379 11633 12240 1 1 1 1 7253 7640 1 1 1 1 1 1 1 1 1 1 1 1 963.6155 *964.1174* 964.1174@6.1989594 1 1 32207 31897 1376 1375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10564 10702 1 1 1 1 8951 9444 1 1 1 1 1391 1534 1 1 1 1 1 1 7476 7154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9817 9929 8895 9146 1 1 1 1 5795 5960 1 1 1 1 1 1 1 1 1 1 1 1 964.1174 *965.6274* 965.6274@0.9886047 1 1 1 1 1668 1 1 1 1 1 1 1 2513 2281 3123 2419 1976 1 1 1 1 1 1 1 1578 1 1 1 1 1 6124 5647 2110 2374 1 1318 1 1 1 1 2716 1974 1 1 1845 1868 4570 4814 1578 1692 2210 2330 4436 4579 1 1 1920 1576 2545 2736 4957 5244 1 2060 2228 2076 1 1 1 2097 1917 2001 1488 1 2337 2485 3578 4004 1 1 1 1 1 1483 1 1 1 1 1532 1910 965.6274 *966.5927* 966.5927@1.056603 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4006 1 1 4328 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 1 966.5927 *970.6192* 970.6192@6.166997 1 1 1994 2076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 970.6192 *971.1282* 971.1282@6.1685 1 1 1330 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.1282 *971.4801* 971.4801@1.0150589 3932 2006 1070 1 4431 4158 3992 3808 3940 4503 3581 3687 4297 4548 5000 4757 7746 7019 4361 4233 4986 4844 3700 3905 2694 2532 3790 3603 6606 6980 5635 5584 3921 3653 2946 2995 3346 3407 4724 4820 5625 5507 3867 3593 5252 5634 4972 4704 5380 5096 7498 7085 6860 7225 3708 3519 3174 3726 2881 3364 11854 11273 4573 4622 5493 5375 4511 3868 6008 5924 6591 5985 4531 4311 4509 4384 5977 6530 4213 3954 4100 4324 5386 5330 3399 3399 5566 6273 5221 5621 971.4801 *971.9784* 971.9784@1.014399 3855 4259 1 1 4306 4256 4112 4006 5388 4850 3557 2371 5847 4706 5313 5673 8470 7411 5417 4866 5452 5983 4641 3162 3310 1687 2551 2499 6350 6999 6706 6031 4393 3717 1883 1985 3857 2544 4690 4541 5679 5523 4104 4384 4558 5637 4815 4993 5255 5648 7178 7649 6236 7052 3198 3176 2535 3189 2044 1959 9555 10445 4580 4025 4590 5490 3961 3722 5538 4669 6193 5074 4381 4649 4091 4240 4753 4661 3693 3472 4059 4650 5517 5331 3636 2842 5412 6057 5252 4016 971.9784 *972.4759* 972.4759@1.0109248 1 1246 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 972.4759 *973.817* 973.817@5.486753 1 5320 1 1 1 1 5071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 973.817 *973.8206* 973.8206@5.4882903 5484 1 5174 5325 5607 5357 1 5282 5938 5654 5329 5131 5355 5791 5677 5176 4753 4985 5387 4719 4690 5334 5487 5239 4911 4954 5245 5466 4372 4644 4956 5255 5809 5025 4619 4897 4853 5393 5766 5321 5644 5339 5129 5308 4689 5263 4768 4947 5351 5453 7345 7758 6532 6466 6337 5998 5397 5812 5616 5719 7308 7333 5596 5247 6223 6955 6312 6232 5150 5498 8411 8437 5216 5547 5434 6444 7886 7566 7227 7649 8105 8575 8031 7785 7947 8375 7742 7417 6213 6145 973.8206 *973.9567* 973.9567@1.0111399 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1813 1 1446 1694 1924 1 1 1 1 1 1 1 1074 1 1818 1 1 1 1 1 1 2077 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 2546 1 1 1 1953 1 1 1 1 1559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1602 973.9567 *974.4596* 974.4596@1.0115049 1 1204 1 1 1 1445 1 1338 1417 1 1 1 1670 1608 2735 1565 1959 2021 1436 1202 1658 1402 1166 1292 1066 1183 1253 1054 1727 2014 1469 1247 1 1 1 1 1 1 1263 1 1379 1405 1067 1421 1345 1521 1137 1195 1550 1118 1582 1540 1147 1324 1 1 1 1 1 1 2058 2040 1 1 1194 1 1 1 1179 1460 1285 1066 1001 1 1 1420 1185 1088 1 1 1 1 1 1110 1 1044 1260 1182 1408 1308 974.4596 *974.9617* 974.9617@1.0129482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1273 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 974.9617 *976.431* 976.431@1.0129087 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 1000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 976.431 *976.9371* 976.9371@1.0112435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1115 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 976.9371 *977.7573* 977.7573@0.9851558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2100 977.7573 *979.2697* 979.2697@0.9739697 1 1 3754 5023 1 1 1 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 4025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061 3204 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.2697 *980.2782* 980.2782@0.9746865 1 1 1 1 1 1 1 1 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 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 1 980.2782 *982.2695* 982.2695@0.97527486 1 1 1054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 982.2695 *985.6311* 985.6311@6.2816234 1 1 25907 25757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9354 9407 1 1 1 1 8298 7330 1 1 1 1 1 1 1 1 1 1 1 1 6090 6119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8156 8007 7303 7329 1 1 1 1 4732 4854 1 1 1 1 1 1 1 1 1 1 1 1 985.6311 *985.6526* 985.6526@3.7636442 1 1 47034 29848 8912 6425 3414 2354 2556 2464 2635 1630 10659 6451 4048 7493 4507 3684 8263 5612 2929 4889 2232 1923 15349 16906 4431 2871 3550 5025 30732 23229 3773 2729 2371 1 3248 1 2758 3663 6479 5048 2900 5117 18729 29499 2185 1 1 1 4162 1 5388 4438 2198 1 1 1 2390 1 5427 5252 8205 4960 5029 8000 2429 1 17914 31088 17626 17973 1 1 1 1 17444 18534 3791 3659 1 1 2453 3191 1 1 1 1 1 1 985.6526 *985.6532* 985.6532@3.8236375 1 1 1 20321 1 3593 1 2975 1 1 1 1 1 1 2858 1 2946 3447 1 1 1 1 1 1 9884 7841 1 1 1 1 7306 14791 1 1 1 1 1 1 1 1 2373 3827 1 1 11886 1 1 1 1 1 1 1 1 2380 1 1 1 1 1 1 3217 3363 1 4093 2634 1 1 1 6997 10781 13026 11838 1 1 1 1 10247 10964 1 1 1 1 2492 1 1 1 1 1 1 1 985.6532 *986.1292* 986.1292@6.280906 1 1 20981 20055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6895 7115 1 1 1 1 5491 5684 1 1 1 1 1 1 1 1 1 1 1 1 4621 4722 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6253 5793 6308 6380 1 1 1 1 3737 3317 1 1 1 1 1 1 1 1 1 1 1 1 986.1292 *986.6135* 986.6135@1.2100484 1 1 1 1 1 1 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 2406 1 1 1 1 1 1 1 1 1 1 1 1 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 2050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 986.6135 *986.6573* 986.6573@3.7963927 1 1 7535 1 1 1 1 1 1 1 1 1 1709 4151 1 1 1 1 1 1577 1 1 1 1 1 1 1 1 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 18575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 986.6573 *987.6596* 987.6596@3.7825363 1 1 1 5841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 987.6596 *987.838* 987.838@5.49623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1089 1 1 1 1 987.838 *991.7383* 991.7383@3.8311386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 991.7383 *991.7394* 991.7394@0.994151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2957 3318 991.7394